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Sample records for polanyi-based isotherm modeling

  1. Modeling of Experimental Adsorption Isotherm Data

    Directory of Open Access Journals (Sweden)

    Xunjun Chen

    2015-01-01

    Full Text Available Adsorption is considered to be one of the most effective technologies widely used in global environmental protection areas. Modeling of experimental adsorption isotherm data is an essential way for predicting the mechanisms of adsorption, which will lead to an improvement in the area of adsorption science. In this paper, we employed three isotherm models, namely: Langmuir, Freundlich, and Dubinin-Radushkevich to correlate four sets of experimental adsorption isotherm data, which were obtained by batch tests in lab. The linearized and non-linearized isotherm models were compared and discussed. In order to determine the best fit isotherm model, the correlation coefficient (r2 and standard errors (S.E. for each parameter were used to evaluate the data. The modeling results showed that non-linear Langmuir model could fit the data better than others, with relatively higher r2 values and smaller S.E. The linear Langmuir model had the highest value of r2, however, the maximum adsorption capacities estimated from linear Langmuir model were deviated from the experimental data.

  2. Modelling isothermal fission gas release

    International Nuclear Information System (INIS)

    Uffelen, P. van

    2002-01-01

    The present paper presents a new fission gas release model consisting of two coupled modules. The first module treats the behaviour of the fission gas atoms in spherical grains with a distribution of grain sizes. This module considers single atom diffusion, trapping and fission induced re-solution of gas atoms associated with intragranular bubbles, and re-solution from the grain boundary into a few layers adjacent to the grain face. The second module considers the transport of the fission gas atoms along the grain boundaries. Four mechanisms are incorporated: diffusion controlled precipitation of gas atoms into bubbles, grain boundary bubble sweeping, re-solution of gas atoms into the adjacent grains and gas flow through open porosity when grain boundary bubbles are interconnected. The interconnection of the intergranular bubbles is affected both by the fraction of the grain face occupied by the cavities and by the balance between the bubble internal pressure and the hydrostatic pressure surrounding the bubbles. The model is under validation. In a first step, some numerical routines have been tested by means of analytic solutions. In a second step, the fission gas release model has been coupled with the FTEMP2 code of the Halden Reactor Project for the temperature distribution in the pellets. A parametric study of some steady-state irradiations and one power ramp have been simulated successfully. In particular, the Halden threshold for fission gas release and two simplified FUMEX cases have been computed and are summarised. (author)

  3. Local galactic kinematics: an isothermal model

    International Nuclear Information System (INIS)

    Nunez, J.

    1983-01-01

    The kinematical parameters of galactic rotation in the solar neighborhood and the corrections to the precession have been calculated. For this purpose, an isothermal model for the solar neighborhood has been used together with the high order momenta of the local stellar velocity distribution and the Ogorodnikov-Milne model. Both have been calculated using some samples of the ''512 Distant FK4/FK4 Sup. Stars'' of Fricke (1977) and of Gliese's Gatalogue. (author)

  4. Model-free method for isothermal and non-isothermal decomposition kinetics analysis of PET sample

    International Nuclear Information System (INIS)

    Saha, B.; Maiti, A.K.; Ghoshal, A.K.

    2006-01-01

    Pyrolysis, one possible alternative to recover valuable products from waste plastics, has recently been the subject of renewed interest. In the present study, the isoconversion methods, i.e., Vyazovkin model-free approach is applied to study non-isothermal decomposition kinetics of waste PET samples using various temperature integral approximations such as Coats and Redfern, Gorbachev, and Agrawal and Sivasubramanian approximation and direct integration (recursive adaptive Simpson quadrature scheme) to analyze the decomposition kinetics. The results show that activation energy (E α ) is a weak but increasing function of conversion (α) in case of non-isothermal decomposition and strong and decreasing function of conversion in case of isothermal decomposition. This indicates possible existence of nucleation, nuclei growth and gas diffusion mechanism during non-isothermal pyrolysis and nucleation and gas diffusion mechanism during isothermal pyrolysis. Optimum E α dependencies on α obtained for non-isothermal data showed similar nature for all the types of temperature integral approximations

  5. Modeling and Prediction of Soil Water Vapor Sorption Isotherms

    DEFF Research Database (Denmark)

    Arthur, Emmanuel; Tuller, Markus; Moldrup, Per

    2015-01-01

    Soil water vapor sorption isotherms describe the relationship between water activity (aw) and moisture content along adsorption and desorption paths. The isotherms are important for modeling numerous soil processes and are also used to estimate several soil (specific surface area, clay content.......93) for a wide range of soils; and (ii) develop and test regression models for estimating the isotherms from clay content. Preliminary results show reasonable fits of the majority of the investigated empirical and theoretical models to the measured data although some models were not capable to fit both sorption...... directions accurately. Evaluation of the developed prediction equations showed good estimation of the sorption/desorption isotherms for tested soils....

  6. Phase field modeling of dendritic coarsening during isothermal

    Directory of Open Access Journals (Sweden)

    Zhang Yutuo

    2011-08-01

    Full Text Available Dendritic coarsening in Al-2mol%Si alloy during isothermal solidification at 880K was investigated by phase field modeling. Three coarsening mechanisms operate in the alloy: (a melting of small dendrite arms; (b coalescence of dendrites near the tips leading to the entrapment of liquid droplets; (c smoothing of dendrites. Dendrite melting is found to be dominant in the stage of dendritic growth, whereas coalescence of dendrites and smoothing of dendrites are dominant during isothermal holding. The simulated results provide a better understanding of dendrite coarsening during isothermal solidification.

  7. Mathematical modelling of the sorption isotherms of quince

    Directory of Open Access Journals (Sweden)

    Mitrevski Vangelce

    2017-01-01

    Full Text Available The moisture adsorption isotherms of quince were determined at four temperatures 15, 30, 45, and 60°C over a range of water activity from 0.110 to 0.920 using the standard static gravimetric method. The experimental data were fitted with generated three parameter sorption isotherm models on Mitrevski et al., and the referent Anderson model known in the scientific and engineering literature as Guggenheim- Anderson-de Boer model. In order to find which models give the best results, large number of numerical experiments was performed. After that, several statistical criteria for estimation and selection of the best sorption isotherm model was used. The performed statistical analysis shows that the generated three parameter model M11 gave the best fit to the sorption data of quince than the referent three parameter Anderson model.

  8. Limitations of sorption isotherms on modeling groundwater contaminant transport

    International Nuclear Information System (INIS)

    Silva, Eduardo Figueira da

    2007-01-01

    Design and safety assessment of radioactive waste repositories, as well as remediation of radionuclide contaminated groundwater require the development of models capable of accurately predicting trace element fate and transport. Adsorption of trace radionuclides onto soils and groundwater is an important mechanism controlling near- and far- field transport. Although surface complexation models (SCMs) can better describe the adsorption mechanisms of most radionuclides onto mineral surfaces by directly accounting for variability of system properties and mineral surface properties, isotherms are still used to model contaminant transport in groundwater, despite the much higher system dependence. The present work investigates differences between transport model results based on these two approaches for adsorption modeling. A finite element transport model is used for the isotherm model, whereas the computer program PHREEQC is used for the SCM approach. Both models are calibrated for a batch experiment, and one-dimensional transport is simulated using the calibrated parameters. At the lower injected concentrations there are large discrepancies between SCM and isotherm transport predictions, with the SCM presenting much longer tails on the breakthrough curves. Isotherms may also provide non-conservative results for time to breakthrough and for maximum concentration in a contamination plume. Isotherm models are shown not to be robust enough to predict transport behavior of some trace elements, thus discouraging their use. The results also illustrate the promise of the SCM modeling approach in safety assessment and environmental remediation applications, also suggesting that independent batch sorption measurements can be used, within the framework of the SCM, to produce a more versatile and realistic groundwater transport model for radionuclides which is capable of accounting more accurately for temporal and spatial variations in geochemical conditions. (author)

  9. Turbulence modelling; Modelisation de la turbulence isotherme

    Energy Technology Data Exchange (ETDEWEB)

    Laurence, D. [Electricite de France (EDF), Direction des Etudes et Recherches, 92 - Clamart (France)

    1997-12-31

    This paper is an introduction course in modelling turbulent thermohydraulics, aimed at computational fluid dynamics users. No specific knowledge other than the Navier Stokes equations is required beforehand. Chapter I (which those who are not beginners can skip) provides basic ideas on turbulence physics and is taken up in a textbook prepared by the teaching team of the ENPC (Benque, Viollet). Chapter II describes turbulent viscosity type modelling and the 2k-{epsilon} two equations model. It provides details of the channel flow case and the boundary conditions. Chapter III describes the `standard` (R{sub ij}-{epsilon}) Reynolds tensions transport model and introduces more recent models called `feasible`. A second paper deals with heat transfer and the effects of gravity, and returns to the Reynolds stress transport model. (author). 37 refs.

  10. Sorption isotherms: A review on physical bases, modeling and measurement

    Energy Technology Data Exchange (ETDEWEB)

    Limousin, G. [Atomic Energy Commission, Tracers Technology Laboratory, 38054 Grenoble Cedex (France) and Laboratoire d' etude des Transferts en Hydrologie et Environnement (CNRS-INPG-IRD-UJF), BP 53, 38041 Grenoble Cedex (France)]. E-mail: guillaumelimousin@yahoo.fr; Gaudet, J.-P. [Laboratoire d' etude des Transferts en Hydrologie et Environnement (CNRS-INPG-IRD-UJF), BP 53, 38041 Grenoble Cedex (France); Charlet, L. [Laboratoire de Geophysique Interne et Techtonophysique - CNRS-IRD-LCPC-UJF-Universite de Savoie, BP 53, 38041 Grenoble Cedex (France); Szenknect, S. [Atomic Energy Commission, Tracers Technology Laboratory, 38054 Grenoble Cedex (France); Barthes, V. [Atomic Energy Commission, Tracers Technology Laboratory, 38054 Grenoble Cedex (France); Krimissa, M. [Electricite de France, Division Recherche et Developpement, Laboratoire National d' Hydraulique et d' Environnement - P78, 6 quai Watier, 78401 Chatou (France)

    2007-02-15

    The retention (or release) of a liquid compound on a solid controls the mobility of many substances in the environment and has been quantified in terms of the 'sorption isotherm'. This paper does not review the different sorption mechanisms. It presents the physical bases underlying the definition of a sorption isotherm, different empirical or mechanistic models, and details several experimental methods to acquire a sorption isotherm. For appropriate measurements and interpretations of isotherm data, this review emphasizes 4 main points: (i) the adsorption (or desorption) isotherm does not provide automatically any information about the reactions involved in the sorption phenomenon. So, mechanistic interpretations must be carefully verified. (ii) Among studies, the range of reaction times is extremely wide and this can lead to misinterpretations regarding the irreversibility of the reaction: a pseudo-hysteresis of the release compared with the retention is often observed. The comparison between the mean characteristic time of the reaction and the mean residence time of the mobile phase in the natural system allows knowing if the studied retention/release phenomenon should be considered as an instantaneous reversible, almost irreversible phenomenon, or if reaction kinetics must be taken into account. (iii) When the concentration of the retained substance is low enough, the composition of the bulk solution remains constant and a single-species isotherm is often sufficient, although it remains strongly dependent on the background medium. At higher concentrations, sorption may be driven by the competition between several species that affect the composition of the bulk solution. (iv) The measurement method has a great influence. Particularly, the background ionic medium, the solid/solution ratio and the use of flow-through or closed reactor are of major importance. The chosen method should balance easy-to-use features and representativity of the studied

  11. Isothermal coarse mixing: experimental and CFD modelling

    International Nuclear Information System (INIS)

    Gilbertson, M.A.; Kenning, D.B.R.; Hall, R.W.

    1992-01-01

    A plane, two-dimensional flow apparatus has been built which uses a jet of solid 6mm diameter balls to model a jet of molten drops falling into a tank of water to study premixing prior to a vapour explosion. Preliminary experiments with unheated stainless steel balls are here compared with computational fluid dynamics (CFD) calculations by the code CHYMES. (6 figures) (Author)

  12. Mathematical modelling of non-isothermal venturi scrubbers

    Energy Technology Data Exchange (ETDEWEB)

    Rahimi, A. [Isfahan Univ., Isfahan (Iran, Islamic Republic of). Dept. of Chemical Engineering; Taheri, M.; Fathikakajahi, J. [Shiraz Univ., Shiraz (Iran, Islamic Republic of). Dept. of Chemical Engineering

    2005-06-01

    Venturi scrubbers collect gaseous pollutants and particulate matter from industrial exhaust. This air pollution control device is highly efficient, easy to maintain and has a low initial cost. However, the high pressure drop through the device results in a high running cost. The main mechanism for collecting particulates is the inertial impaction of the particles on the droplets, which occurs due to high velocity between the gas stream and droplets. Droplet acceleration and irreversible drag-force which results from this high relative velocity are responsible for the high pressure drop in this type of scrubber. While several attempts have been made to mathematically model particulate removal in Venturi scrubbers, most models do not consider simultaneous heat and mass transfer. This factor is important because most Venturi scrubbers operate under non-isothermal conditions where the inlet gas is humidified in order to cool it before entering the scrubber. For that reason, the authors developed a more realistic model to determine the effects of heat and mass transfer on the particulate removal efficiency of a non-isothermal Venturi type scrubber. The model considers the effect of droplet size distribution and liquid film flow on the walls. It consists of differential equations for energy, momentum and material exchange. Model results were compared with data from experimental studies and industrial facilities. It was concluded that the removal efficiency of the scrubber is influenced by the inlet humidity temperature of the inlet gas. 26 refs., 1 tab., 10 figs.

  13. Modeling Cavitation in ICE Pistons Made with Isothermal Forging

    Directory of Open Access Journals (Sweden)

    V.V. Astanin

    2014-07-01

    Full Text Available Possible causes for cavitations in parts made with an Al-Si eutectic alloy AK12D (AlSi12 were explored with mathematical and physical modeling with involved acoustic emission. Pores were formed from micro-cracks, which appear during the early stages of a deformation process, with the help of micro-stresses appearing at phase boundaries (Al/Si interface due to thermal expansion. At the design stage of isothermal forgings of such products it is recommended to provide a scheme of the deformed shape, which is under uniform compression, to compensate for the inter-phase stresses.

  14. A self-consistent model of an isothermal tokamak

    Science.gov (United States)

    McNamara, Steven; Lilley, Matthew

    2014-10-01

    Continued progress in liquid lithium coating technologies have made the development of a beam driven tokamak with minimal edge recycling a feasibly possibility. Such devices are characterised by improved confinement due to their inherent stability and the suppression of thermal conduction. Particle and energy confinement become intrinsically linked and the plasma thermal energy content is governed by the injected beam. A self-consistent model of a purely beam fuelled isothermal tokamak is presented, including calculations of the density profile, bulk species temperature ratios and the fusion output. Stability considerations constrain the operating parameters and regions of stable operation are identified and their suitability to potential reactor applications discussed.

  15. Modeling of Non-isothermal Austenite Formation in Spring Steel

    Science.gov (United States)

    Huang, He; Wang, Baoyu; Tang, Xuefeng; Li, Junling

    2017-12-01

    The austenitization kinetics description of spring steel 60Si2CrA plays an important role in providing guidelines for industrial production. The dilatometric curves of 60Si2CrA steel were measured using a dilatometer DIL805A at heating rates of 0.3 K to 50 K/s (0.3 °C/s to 50 °C/s). Based on the dilatometric curves, a unified kinetics model using the internal state variable (ISV) method was derived to describe the non-isothermal austenitization kinetics of 60Si2CrA, and the abovementioned model models the incubation and transition periods. The material constants in the model were determined using a genetic algorithm-based optimization technique. Additionally, good agreement between predicted and experimental volume fractions of transformed austenite was obtained, indicating that the model is effective for describing the austenitization kinetics of 60Si2CrA steel. Compared with other modeling methods of austenitization kinetics, this model, which uses the ISV method, has some advantages, such as a simple formula and explicit physics meaning, and can be probably used in engineering practice.

  16. Isothermal CFD-model of Peirce-Smith converting process

    Energy Technology Data Exchange (ETDEWEB)

    Vaarno, J.; Pitkaelae, J.; Ahokainen, T.; Jokilaakso, A.

    1997-12-31

    The Peirce-Smith converter has been a dominating copper and nickel matte refining process since 1905. Due to extremely difficult process conditions, very little measured data has been available for studying interactions of the gas injection and molten sulphide matte. Detailed information on fluid dynamics of the gas injection is needed in solving gas injection related problems like refractory wear, accretion growth and tuyere blockage as well as optimising the efficiency of momentum and mass transfer created by the gas jets. A commercial CFD-code PHOENICS was used to solve isothermal flow field of gas and liquid in a Peirce-Smith converter. An Euler-Euler based algorithm was chosen for modelling fluid dynamics and evaluating controlling forces of a submerged gas injection generally. Predictions were made with a {kappa}-{epsilon} turbulence model in the body fitted co-ordinate system. The model has been verified with a 1/4 scale water model, and a parametric study with the mathematical model of submerged gas injection was made for the PS-process and the ladle injection processes. Limits of the modelling technique used were recognised, but calculated results indicates that the present model predicts the general flow field with reasonable accuracy and it can be used as input for more detailed mathematical models of gas plumes. Predicted bubble distribution, pattern of the flow field and magnitude of flow velocities were also used to evaluate scaling factors of physical models and general flow conditions of an industrial PS-converter. (orig.) 28 refs.

  17. Differential Binding Models for Direct and Reverse Isothermal Titration Calorimetry.

    Science.gov (United States)

    Herrera, Isaac; Winnik, Mitchell A

    2016-03-10

    Isothermal titration calorimetry (ITC) is a technique to measure the stoichiometry and thermodynamics from binding experiments. Identifying an appropriate mathematical model to evaluate titration curves of receptors with multiple sites is challenging, particularly when the stoichiometry or binding mechanism is not available. In a recent theoretical study, we presented a differential binding model (DBM) to study calorimetry titrations independently of the interaction among the binding sites (Herrera, I.; Winnik, M. A. J. Phys. Chem. B 2013, 117, 8659-8672). Here, we build upon our DBM and show its practical application to evaluate calorimetry titrations of receptors with multiple sites independently of the titration direction. Specifically, we present a set of ordinary differential equations (ODEs) with the general form d[S]/dV that can be integrated numerically to calculate the equilibrium concentrations of free and bound species S at every injection step and, subsequently, to evaluate the volume-normalized heat signal (δQ(V) = δq/dV) of direct and reverse calorimetry titrations. Additionally, we identify factors that influence the shape of the titration curve and can be used to optimize the initial concentrations of titrant and analyte. We demonstrate the flexibility of our updated DBM by applying these differentials and a global regression analysis to direct and reverse calorimetric titrations of gadolinium ions with multidentate ligands of increasing denticity, namely, diglycolic acid (DGA), citric acid (CIT), and nitrilotriacetic acid (NTA), and use statistical tests to validate the stoichiometries for the metal-ligand pairs studied.

  18. Evaluation of theoretical and empirical water vapor sorption isotherm models for soils

    Science.gov (United States)

    Arthur, Emmanuel; Tuller, Markus; Moldrup, Per; de Jonge, Lis W.

    2016-01-01

    The mathematical characterization of water vapor sorption isotherms of soils is crucial for modeling processes such as volatilization of pesticides and diffusive and convective water vapor transport. Although numerous physically based and empirical models were previously proposed to describe sorption isotherms of building materials, food, and other industrial products, knowledge about the applicability of these functions for soils is noticeably lacking. We present an evaluation of nine models for characterizing adsorption/desorption isotherms for a water activity range from 0.03 to 0.93 based on measured data of 207 soils with widely varying textures, organic carbon contents, and clay mineralogy. In addition, the potential applicability of the models for prediction of sorption isotherms from known clay content was investigated. While in general, all investigated models described measured adsorption and desorption isotherms reasonably well, distinct differences were observed between physical and empirical models and due to the different degrees of freedom of the model equations. There were also considerable differences in model performance for adsorption and desorption data. While regression analysis relating model parameters and clay content and subsequent model application for prediction of measured isotherms showed promise for the majority of investigated soils, for soils with distinct kaolinitic and smectitic clay mineralogy predicted isotherms did not closely match the measurements.

  19. Evaluation of theoretical and empirical water vapor sorption isotherm models for soils

    DEFF Research Database (Denmark)

    Arthur, Emmanuel; Tuller, Markus; Moldrup, Per

    2016-01-01

    sorption isotherms of building materials, food, and other industrial products, knowledge about the 24 applicability of these functions for soils is noticeably lacking. We present validation of nine models for characterizing adsorption/desorption isotherms for a water activity range from 0.03 to 0...

  20. Heat transfer corrected isothermal model for devolatilization of thermally-thick biomass particles

    DEFF Research Database (Denmark)

    Luo, Hao; Wu, Hao; Lin, Weigang

    Isothermal model used in current computational fluid dynamic (CFD) model neglect the internal heat transfer during biomass devolatilization. This assumption is not reasonable for thermally-thick particles. To solve this issue, a heat transfer corrected isothermal model is introduced. In this model......, two heat transfer corrected coefficients: HT-correction of heat transfer and HR-correction of reaction, are defined to cover the effects of internal heat transfer. A series of single biomass devitalization case have been modeled to validate this model, the results show that devolatilization behaviors...... of both thermally-thick and thermally-thin particles are predicted reasonable by using heat transfer corrected model, while, isothermal model overestimate devolatilization rate and heating rate for thermlly-thick particle.This model probably has better performance than isothermal model when it is coupled...

  1. A Universal Isotherm Model to Capture Adsorption Uptake and Energy Distribution of Porous Heterogeneous Surface

    KAUST Repository

    Ng, Kim Choon; Burhan, Muhammad; Shahzad, Muhammad Wakil; Ismail, Azahar Bin

    2017-01-01

    The adsorbate-adsorbent thermodynamics are complex as it is influenced by the pore size distributions, surface heterogeneity and site energy distribution, as well as the adsorbate properties. Together, these parameters defined the adsorbate uptake forming the state diagrams, known as the adsorption isotherms, when the sorption site energy on the pore surfaces are favorable. The available adsorption models for describing the vapor uptake or isotherms, hitherto, are individually defined to correlate to a certain type of isotherm patterns. There is yet a universal approach in developing these isotherm models. In this paper, we demonstrate that the characteristics of all sorption isotherm types can be succinctly unified by a revised Langmuir model when merged with the concepts of Homotattic Patch Approximation (HPA) and the availability of multiple sets of site energy accompanied by their respective fractional probability factors. The total uptake (q/q*) at assorted pressure ratios (P/P s ) are inextricably traced to the manner the site energies are spread, either naturally or engineered by scientists, over and across the heterogeneous surfaces. An insight to the porous heterogeneous surface characteristics, in terms of adsorption site availability has been presented, describing the unique behavior of each isotherm type.

  2. A Universal Isotherm Model to Capture Adsorption Uptake and Energy Distribution of Porous Heterogeneous Surface

    KAUST Repository

    Ng, Kim Choon

    2017-08-31

    The adsorbate-adsorbent thermodynamics are complex as it is influenced by the pore size distributions, surface heterogeneity and site energy distribution, as well as the adsorbate properties. Together, these parameters defined the adsorbate uptake forming the state diagrams, known as the adsorption isotherms, when the sorption site energy on the pore surfaces are favorable. The available adsorption models for describing the vapor uptake or isotherms, hitherto, are individually defined to correlate to a certain type of isotherm patterns. There is yet a universal approach in developing these isotherm models. In this paper, we demonstrate that the characteristics of all sorption isotherm types can be succinctly unified by a revised Langmuir model when merged with the concepts of Homotattic Patch Approximation (HPA) and the availability of multiple sets of site energy accompanied by their respective fractional probability factors. The total uptake (q/q*) at assorted pressure ratios (P/P s ) are inextricably traced to the manner the site energies are spread, either naturally or engineered by scientists, over and across the heterogeneous surfaces. An insight to the porous heterogeneous surface characteristics, in terms of adsorption site availability has been presented, describing the unique behavior of each isotherm type.

  3. [Application of classical isothermal adsorption models in heavy metal ions/ diatomite system and related problems].

    Science.gov (United States)

    Zhu, Jian; Wu, Qing-Ding; Wang, Ping; Li, Ke-Lin; Lei, Ming-Jing; Zhang, Wei-Li

    2013-11-01

    In order to fully understand adsorption nature of Cu2+, Zn2+, Pb2+, Cd2+, Mn2+, Fe3+ onto natural diatomite, and to find problems of classical isothermal adsorption models' application in liquid/solid system, a series of isothermal adsorption tests were conducted. As results indicate, the most suitable isotherm models for describing adsorption of Pb2+, Cd2+, Cu2+, Zn2+, Mn2+, Fe3+ onto natural diatomite are Tenkin, Tenkin, Langmuir, Tenkin, Freundlich and Freundlich, respectively, the adsorption of each ion onto natural diatomite is mainly a physical process, and the adsorption reaction is favorable. It also can be found that, when using classical isothermal adsorption models to fit the experimental data in liquid/solid system, the equilibrium adsorption amount q(e) is not a single function of ion equilibrium concentration c(e), while is a function of two variables, namely c(e) and the adsorbent concentration W0, q(e) only depends on c(e)/W(0). Results also show that the classical isothermal adsorption models have a significant adsorbent effect, and their parameter values are unstable, the simulation values of parameter differ greatly from the measured values, which is unhelpful for practical use. The tests prove that four-adsorption-components model can be used for describing adsorption behavior of single ion in nature diatomite-liquid system, its parameters k and q(m) have constant values, which is favorable for practical quantitative calculation in a given system.

  4. Numerical modeling of isothermal compositional grading by convex splitting methods

    KAUST Repository

    Li, Yiteng

    2017-04-09

    In this paper, an isothermal compositional grading process is simulated based on convex splitting methods with the Peng-Robinson equation of state. We first present a new form of gravity/chemical equilibrium condition by minimizing the total energy which consists of Helmholtz free energy and gravitational potential energy, and incorporating Lagrange multipliers for mass conservation. The time-independent equilibrium equations are transformed into a system of transient equations as our solution strategy. It is proved our time-marching scheme is unconditionally energy stable by the semi-implicit convex splitting method in which the convex part of Helmholtz free energy and its derivative are treated implicitly and the concave parts are treated explicitly. With relaxation factor controlling Newton iteration, our method is able to converge to a solution with satisfactory accuracy if a good initial estimate of mole compositions is provided. More importantly, it helps us automatically split the unstable single phase into two phases, determine the existence of gas-oil contact (GOC) and locate its position if GOC does exist. A number of numerical examples are presented to show the performance of our method.

  5. Model-fitting approach to kinetic analysis of non-isothermal oxidation of molybdenite

    International Nuclear Information System (INIS)

    Ebrahimi Kahrizsangi, R.; Abbasi, M. H.; Saidi, A.

    2007-01-01

    The kinetics of molybdenite oxidation was studied by non-isothermal TGA-DTA with heating rate 5 d eg C .min -1 . The model-fitting kinetic approach applied to TGA data. The Coats-Redfern method used of model fitting. The popular model-fitting gives excellent fit non-isothermal data in chemically controlled regime. The apparent activation energy was determined to be about 34.2 kcalmol -1 With pre-exponential factor about 10 8 sec -1 for extent of reaction less than 0.5

  6. Summary report on the evaluation of a 1977--1985 edited sorption data base for isotherm modeling

    International Nuclear Information System (INIS)

    Polzer, W.L.; Beckman, R.J.; Fuentes, H.R.; Yong, C.; Chan, P.; Rao, M.G.

    1993-01-01

    Sorption data bases collected by Los Alamos National Laboratory (LANL) from 1977 to 1985 for the Yucca Mountain Project.(YMP) have been inventoried and fitted with isotherm expressions. Effects of variables (e.g., particle size) on the isotherm were also evaluated. The sorption data are from laboratory batch measurements which were not designed specifically for isotherm modeling. However a limited number of data sets permitted such modeling. The analysis of those isotherm data can aid in the design of future sorption experiments and can provide expressions to be used in radionuclide transport modeling. Over 1200 experimental observations were inventoried for their adequacy to be modeled b isotherms and to evaluate the effects of variables on isotherms. About 15% of the observations provided suitable data sets for modeling. The data sets were obtained under conditions that include ambient temperature and two atmospheres, air and CO 2

  7. Multi-model attribution of upper-ocean temperature changes using an isothermal approach

    Science.gov (United States)

    Weller, Evan; Min, Seung-Ki; Palmer, Matthew D.; Lee, Donghyun; Yim, Bo Young; Yeh, Sang-Wook

    2016-06-01

    Both air-sea heat exchanges and changes in ocean advection have contributed to observed upper-ocean warming most evident in the late-twentieth century. However, it is predominantly via changes in air-sea heat fluxes that human-induced climate forcings, such as increasing greenhouse gases, and other natural factors such as volcanic aerosols, have influenced global ocean heat content. The present study builds on previous work using two different indicators of upper-ocean temperature changes for the detection of both anthropogenic and natural external climate forcings. Using simulations from phase 5 of the Coupled Model Intercomparison Project, we compare mean temperatures above a fixed isotherm with the more widely adopted approach of using a fixed depth. We present the first multi-model ensemble detection and attribution analysis using the fixed isotherm approach to robustly detect both anthropogenic and natural external influences on upper-ocean temperatures. Although contributions from multidecadal natural variability cannot be fully removed, both the large multi-model ensemble size and properties of the isotherm analysis reduce internal variability of the ocean, resulting in better observation-model comparison of temperature changes since the 1950s. We further show that the high temporal resolution afforded by the isotherm analysis is required to detect natural external influences such as volcanic cooling events in the upper-ocean because the radiative effect of volcanic forcings is short-lived.

  8. Modeling of Non-Isothermal Cryogenic Fluid Sloshing

    Science.gov (United States)

    Agui, Juan H.; Moder, Jeffrey P.

    2015-01-01

    A computational fluid dynamic model was used to simulate the thermal destratification in an upright self-pressurized cryostat approximately half-filled with liquid nitrogen and subjected to forced sinusoidal lateral shaking. A full three-dimensional computational grid was used to model the tank dynamics, fluid flow and thermodynamics using the ANSYS Fluent code. A non-inertial grid was used which required the addition of momentum and energy source terms to account for the inertial forces, energy transfer and wall reaction forces produced by the shaken tank. The kinetics-based Schrage mass transfer model provided the interfacial mass transfer due to evaporation and condensation at the sloshing interface. The dynamic behavior of the sloshing interface, its amplitude and transition to different wave modes, provided insight into the fluid process at the interface. The tank pressure evolution and temperature profiles compared relatively well with the shaken cryostat experimental test data provided by the Centre National D'Etudes Spatiales.

  9. Testing lowered isothermal models with direct N-body simulations of globular clusters - II. Multimass models

    Science.gov (United States)

    Peuten, M.; Zocchi, A.; Gieles, M.; Hénault-Brunet, V.

    2017-09-01

    Lowered isothermal models, such as the multimass Michie-King models, have been successful in describing observational data of globular clusters. In this study, we assess whether such models are able to describe the phase space properties of evolutionary N-body models. We compare the multimass models as implemented in limepy (Gieles & Zocchi) to N-body models of star clusters with different retention fractions for the black holes and neutron stars evolving in a tidal field. We find that multimass models successfully reproduce the density and velocity dispersion profiles of the different mass components in all evolutionary phases and for different remnants retention. We further use these results to study the evolution of global model parameters. We find that over the lifetime of clusters, radial anisotropy gradually evolves from the low- to the high-mass components and we identify features in the properties of observable stars that are indicative of the presence of stellar-mass black holes. We find that the model velocity scale depends on mass as m-δ, with δ ≃ 0.5 for almost all models, but the dependence of central velocity dispersion on m can be shallower, depending on the dark remnant content, and agrees well with that of the N-body models. The reported model parameters, and correlations amongst them, can be used as theoretical priors when fitting these types of mass models to observational data.

  10. Generalized isothermal models with strange equation of state

    Indian Academy of Sciences (India)

    intention to study the Einstein–Maxwell system with a linear equation of state with ... It is our intention to model the interior of a dense realistic star with a general ... The definition m(r) = 1. 2. ∫ r. 0 ω2ρ(ω)dω. (14) represents the mass contained within a radius r which is a useful physical quantity. The mass function (14) has ...

  11. MODELING OF ISOTHERMAL PRECIPITATION KINETICS IN HSLA STEELS AND ITS APPLICATION

    Institute of Scientific and Technical Information of China (English)

    X.M. Zhao; D. Wu; L.Z. Zhang; Z.Y. Liu

    2004-01-01

    Microalloying elements in high-strength low-alloy steels, such as Nb, Ti and V, precipitate during hot-rolling processes. On the basis of classical theory of nucleation and growth, quantitative modeling of isothermal precipitation was developed, which was tested by the stress relaxation method, the calculated precipitation-time-temperature curve is in good agreements with the measured results, then the model was applied to predict the precipitation behavior during continuous cooling.

  12. Mathematical Modeling of Moisture Sorption Isotherms and Determination of Isosteric Heats of Sorption of Ziziphus Leaves

    Directory of Open Access Journals (Sweden)

    Amel Saad

    2014-01-01

    Full Text Available Desorption and adsorption equilibrium moisture isotherms of Ziziphus spina-christi leaves were determined using the gravimetric-static method at 30, 40, and 50°C for water activity (aw ranging from 0.057 to 0.898. At a given aw, the results show that the moisture content decreases with increasing temperature. A hysteresis effect was observed. The experimental data of sorption were fitted by eight models (GAB, BET, Henderson-Thompson, modified-Chung Pfost, Halsey, Oswin, Peleg, and Adam and Shove. After evaluating the models according to several criteria, the Peleg and Oswin models were found to be the most suitable for describing the sorption curves. The net isosteric heats of desorption and adsorption of Ziziphus spina-christi leaves were calculated by applying the Clausius-Clapeyron equation to the sorption isotherms and an expression for predicting these thermodynamic properties was given.

  13. Monolayer and multilayer adsorption isotherm models for sorption from aqueous media

    Energy Technology Data Exchange (ETDEWEB)

    Saadi, Reyhaneh; Saadi, Zahra; Fazaeli, Reza; Fard, Narges Elmi [Islamic Azad University, Tehran (Iran, Islamic Republic of)

    2015-05-15

    Industrial wastewater polluted with various contaminants, including heavy metals, dyes, etc., endangers human health and the environment. Various separation techniques have been developed for the removal of pollutants from aqueous solutions. Adsorption process has drawn considerable attention due to its simplicity of design, high removal efficiency, even at dilute concentration, and economical aspect. We reviewed the most common two, three, four, and five parameter adsorption isotherm models corresponding to monolayer and multilayer adsorption on the basis of parameters that can be used for exploring novel adsorbents. Thermodynamic assumptions of the models give information about the surface properties, capacity of the adsorbent and adsorption mechanism. Seven error functions were investigated to evaluate the fitness quality of isotherm models with the experimental equilibrium data.

  14. Synthesis of humidity sensitive zinc stannate nanomaterials and modelling of Freundlich adsorption isotherm model

    Science.gov (United States)

    Sharma, Alfa; Kumar, Yogendra; Shirage, Parasharam M.

    2018-04-01

    The chemi-resistive humidity sensing behaviour of as prepared and annealed ZnSnO3 nanoparticles synthesized using a wet chemical synthesis method was investigated. The effect of stirring temperature over the evolution of varied nanomorphology of zinc stannate is in accordance to Ostwald's ripening law. At room temperature, an excellent humidity sensitivity of ˜800% and response/recovery time of 70s./102s. is observed for ZnSnO3 sample within 08-97% relative humidity range. The experimental data observed over the entire range of RH values well fitted with the Freundlich adsorption isotherm model, and revealing two distinct water adsorption regimes. The excellent humidity sensitivity observed in the nanostructures is attributed to Grotthuss mechanism considering the availability and distribution of available adsorption sites. This present result proposes utilization of low cost synthesis technique of ZnSnO3 holds the promising capabilities as potential candidate for the fabrication of next generation humidity sensors.

  15. A comparison of three turbulence models for axisymmetric isothermal swirling flows in the near burner zone

    Energy Technology Data Exchange (ETDEWEB)

    Ahlstedt, H [Tampere Univ. of Technology (Finland). Energy and Process Engineering

    1998-12-31

    In this work three different turbulence models, the k - {epsilon}, RNG k - {epsilon} and Reynolds stress model, have been compared in the case of confined swirling flow. The flow geometries are the isothermal swirling flows measured by International Flame Research Foundation (IFRF). The inlet boundary profiles have been taken from the measurements. At the outlet the effect of furnace end contraction has been studied. The k - {epsilon} model falls to predict the correct flow field. The RNG k - {epsilon} model can provide improvements, although it has problems near the symmetry axis. The Reynolds stress model produces the best agreement with measured data. (author) 13 refs.

  16. A comparison of three turbulence models for axisymmetric isothermal swirling flows in the near burner zone

    Energy Technology Data Exchange (ETDEWEB)

    Ahlstedt, H. [Tampere Univ. of Technology (Finland). Energy and Process Engineering

    1997-12-31

    In this work three different turbulence models, the k - {epsilon}, RNG k - {epsilon} and Reynolds stress model, have been compared in the case of confined swirling flow. The flow geometries are the isothermal swirling flows measured by International Flame Research Foundation (IFRF). The inlet boundary profiles have been taken from the measurements. At the outlet the effect of furnace end contraction has been studied. The k - {epsilon} model falls to predict the correct flow field. The RNG k - {epsilon} model can provide improvements, although it has problems near the symmetry axis. The Reynolds stress model produces the best agreement with measured data. (author) 13 refs.

  17. Modelling for Temperature Non-Isothermal Continuous Stirred Tank Reactor Using Fuzzy Logic

    OpenAIRE

    Nasser Mohamed Ramli; Mohamad Syafiq Mohamad

    2017-01-01

    Many types of controllers were applied on the continuous stirred tank reactor (CSTR) unit to control the temperature. In this research paper, Proportional-Integral-Derivative (PID) controller are compared with Fuzzy Logic controller for temperature control of CSTR. The control system for temperature non-isothermal of a CSTR will produce a stable response curve to its set point temperature. A mathematical model of a CSTR using the most general operating condition was developed through a set of...

  18. A new approach to non-isothermal models for nematic liquid crystals

    Czech Academy of Sciences Publication Activity Database

    Feireisl, Eduard; Frémond, M.; Rocca, E.; Schimperna, G.

    2012-01-01

    Roč. 205, č. 2 (2012), s. 651-672 ISSN 0003-9527 R&D Projects: GA ČR GA201/09/0917 Institutional research plan: CEZ:AV0Z10190503 Keywords : liquid crystals * non-isothermal model * flows Subject RIV: BA - General Mathematics Impact factor: 2.292, year: 2012 http://www.springerlink.com/content/cl205h73077jr810/

  19. The software package for solving problems of mathematical modeling of isothermal curing process

    Directory of Open Access Journals (Sweden)

    S. G. Tikhomirov

    2016-01-01

    Full Text Available Summary. On the basis of the general laws of sulfur vulcanization diene rubbers the principles of the effective cross-linking using a multi-component agents was discussed. It is noted that the description of the mechanism of action of the complex cross-linking systems are complicated by the diversity of interactions of components and the influence of each of them on the curing kinetics, leading to a variety technological complications of real technology and affects on the quality and technical and economic indicators of the production of rubber goods. Based on the known theoretical approaches the system analysis of isothermal curing process was performed. It included the integration of different techniques and methods into a single set of. During the analysis of the kinetics of vulcanization it was found that the formation of the spatial grid parameters vulcanizates depend on many factors, to assess which requires special mathematical and algorithmic support. As a result of the stratification of the object were identified the following major subsystems. A software package for solving direct and inverse kinetic problems isothermal curing process was developed. Information support “Isothermal vulcanization” is a set of applications of mathematical modeling of isothermal curing. It is intended for direct and inverse kinetic problems. When solving the problem of clarifying the general scheme of chemical transformations used universal mechanism including secondary chemical reactions. Functional minimization algorithm with constraints on the unknown parameters was used for solving the inverse kinetic problem. Shows a flowchart of the program. An example of solving the inverse kinetic problem with the program was introduced. Dataware was implemented in the programming language C ++. Universal dependence to determine the initial concentration of the curing agent was applied . It allowing the use of a model with different properties of multicomponent

  20. Wall modeling for the simulation of highly non-isothermal unsteady flows; Modelisation de paroi pour la simulation d'ecoulements instationnaires non-isothermes

    Energy Technology Data Exchange (ETDEWEB)

    Devesa, A

    2006-12-15

    Nuclear industry flows are most of the time characterized by their high Reynolds number, density variations (at low Mach numbers) and a highly unsteady behaviour (low to moderate frequencies). High Reynolds numbers are un-affordable by direct simulation (DNS), and simulations must either be performed by solving averaged equations (RANS), or by solving only the large eddies (LES), both using a wall model. A first investigation of this thesis dealt with the derivation and test of two variable density wall models: an algebraic law (CWM) and a zonal approach dedicated to LES (TBLE-{rho}). These models were validated in quasi-isothermal cases, before being used in academic and industrial non-isothermal flows with satisfactory results. Then, a numerical experiment of pulsed passive scalars was performed by DNS, were two forcing conditions were considered: oscillations are imposed in the outer flow; oscillations come from the wall. Several frequencies and amplitudes of oscillations were taken into account in order to gain insights in unsteady effects in the boundary layer, and to create a database for validating wall models in such context. The temporal behaviour of two wall models (algebraic and zonal wall models) were studied and showed that a zonal model produced better results when used in the simulation of unsteady flows. (author)

  1. Wall modeling for the simulation of highly non-isothermal unsteady flows

    International Nuclear Information System (INIS)

    Devesa, A.

    2006-12-01

    Nuclear industry flows are most of the time characterized by their high Reynolds number, density variations (at low Mach numbers) and a highly unsteady behaviour (low to moderate frequencies). High Reynolds numbers are un-affordable by direct simulation (DNS), and simulations must either be performed by solving averaged equations (RANS), or by solving only the large eddies (LES), both using a wall model. A first investigation of this thesis dealt with the derivation and test of two variable density wall models: an algebraic law (CWM) and a zonal approach dedicated to LES (TBLE-ρ). These models were validated in quasi-isothermal cases, before being used in academic and industrial non-isothermal flows with satisfactory results. Then, a numerical experiment of pulsed passive scalars was performed by DNS, were two forcing conditions were considered: oscillations are imposed in the outer flow; oscillations come from the wall. Several frequencies and amplitudes of oscillations were taken into account in order to gain insights in unsteady effects in the boundary layer, and to create a database for validating wall models in such context. The temporal behaviour of two wall models (algebraic and zonal wall models) were studied and showed that a zonal model produced better results when used in the simulation of unsteady flows. (author)

  2. Desorption isotherms and mathematical modeling of thin layer drying kinetics of tomato

    Science.gov (United States)

    Belghith, Amira; Azzouz, Soufien; ElCafsi, Afif

    2016-03-01

    In recent years, there is an increased demand on the international market of dried fruits and vegetables with significant added value. Due to its important production, consumption and nutrient intake, drying of tomato has become a subject of extended and varied research works. The present work is focused on the drying behavior of thin-layer tomato and its mathematical modeling in order to optimize the drying processes. The moisture desorption isotherms of raw tomato were determined at four temperature levels namely 45, 50, 60 and 65 °C using the static gravimetric method. The experimental data obtained were modeled by five equations and the (GAB) model was found to be the best-describing these isotherms. The drying kinetics were experimentally investigated at 45, 55 and 65 °C and performed at air velocities of 0.5 and 2 m/s. In order to investigate the effect of the exchange surface on drying time, samples were dried into two different shapes: tomato halves and tomato quarters. The impact of various drying parameters was also studied (temperature, air velocity and air humidity). The drying curves showed only the preheating period and the falling drying rate period. In this study, attention was paid to the modeling of experimental thin-layer drying kinetics. The experimental results were fitted with four different models.

  3. The adsorption of benzene from the gas phase on H-mordenite 1. A new model isotherm for adsorption on zeolites

    Energy Technology Data Exchange (ETDEWEB)

    Drachsel, W; Becker, K A

    1977-10-01

    This model was derived from considerations of the heterogeneous energy distribution of zeolite surfaces. A homogeneity parameter (m) was introduced. The isotherms approach a constant value at high pressure, and at low pressure they approach the Freundlich isotherm for m < 1 and the Henry isotherm at m > 1. Graphs and 19 references.

  4. Non-isothermal processes during the drying of bare soil: Model Development and Validation

    Science.gov (United States)

    Sleep, B.; Talebi, A.; O'Carrol, D. M.

    2017-12-01

    Several coupled liquid water, water vapor, and heat transfer models have been developed either to study non-isothermal processes in the subsurface immediately below the ground surface, or to predict the evaporative flux from the ground surface. Equilibrium phase change between water and gas phases is typically assumed in these models. Recently, a few studies have questioned this assumption and proposed a coupled model considering kinetic phase change. However, none of these models were validated against real field data. In this study, a non-isothermal coupled model incorporating kinetic phase change was developed and examined against the measured data from a green roof test module. The model also incorporated a new surface boundary condition for water vapor transport at the ground surface. The measured field data included soil moisture content and temperature at different depths up to the depth of 15 cm below the ground surface. Lysimeter data were collected to determine the evaporation rates. Short and long wave radiation, wind velocity, air ambient temperature and relative humidity were measured and used as model input. Field data were collected for a period of three months during the warm seasons in south eastern Canada. The model was calibrated using one drying period and then several other drying periods were simulated. In general, the model underestimated the evaporation rates in the early stage of the drying period, however, the cumulative evaporation was in good agreement with the field data. The model predicted the trends in temperature and moisture content at the different depths in the green roof module. The simulated temperature was lower than the measured temperature for most of the simulation time with the maximum difference of 5 ° C. The simulated moisture content changes had the same temporal trend as the lysimeter data for the events simulated.

  5. Kinetics Modeling and Isotherms for Adsorption of Phosphate from Aqueous Solution by Modified Clinoptilolit

    Directory of Open Access Journals (Sweden)

    Mohammad Malakootian

    2012-01-01

    Full Text Available The Phosphorous discharge into the surface water led to excessive growth of algae and eutrophication in lakes and rivers. Therefore the phosphorus removal is important due to negative effect on water resources. The aim of this study was to investigat the modification of clinoptilolite and application of modified clinoptilolite for phosphorous adsorption from aqueous solution and isotherms and kinetics modeling. Hexadecyl Trimethyl Ammonium bromide (HDTMA-Br, Hexadecyl trimethyl Ammonium Chloride (HDTMA-Cl, Sodium Decyl Sulphate (SDS and Cetrimide-C were used for modification of clinoptilolite. Experiments were conducted using jar apparatus and batch system. The effect of pH, adsorbent doses, contact time, phosphate initial concentration and particle size were studied surveyed on phosphate adsorption by modified clinoptilolite. The most common isotherms and the kinetics adsorption equations were used for determination of adsorption rate and dynamic reaction. The results showed that maximum phosphate adsorption was obtained in the pH of 7 and contact time 90min. Also it was found with the increasing of phosphate initial concentration, phosphate removal efficiency decreased significantly. Langmuir No 2 showed a good correlation compared to other isotherms (R2=0.997. Maximum adsorption capacity was obtained in 20g/L adsorbent dose (22.73mg/g. Also Interaparticle diffusion kinetics well fits with experimental data (R2=0.999 with constant rate of 3.84mg/g min0.5. The result showed that modified clinoptilolite can be used successfully as low cost and effective absorbent for phosphate removal.

  6. Dispersive kinetic model for the non-isothermal reduction of nickel oxide by hydrogen

    International Nuclear Information System (INIS)

    Adnadevic, Borivoj; Jankovic, Bojan

    2008-01-01

    The kinetics of the non-isothermal reduction process of powder nickel oxide samples using hydrogen was investigated by temperature-programmed experiments at the different constant heating rates. The new procedure for the determination of density distribution function of activation energies (ddfE a ), evaluated from the experimentally obtained non-isothermal conversion curves, was developed. The analytical relationships between the corresponding thermo-kinetic parameters for the investigated reduction process were established. From the influence of heating rate on the basic characteristics of ddfE a 's, it was concluded that the evaluated ddfE a 's are completely independent of the heating rate (v h ). It was found that the value of activation energy at the peak of the distribution curve (E a,max ), at all considered heating rates, is in good agreement with the value of E a,0 (96.6 kJ mol -1 ) calculated from the isoconversional dependence of activation energy, in the conversion range of 0.20≤α≤0.60. From the appearances of the true compensation effect, it was concluded that the factor that produces the changes of kinetic parameter values is a conversion fraction (α). Using the model prediction, the experimentally obtained conversion curves are completely described by the evaluated distribution curves (g(E a ) vhj ) at all considered heating rates. It was concluded that the assumption about the distribution of potential energies of oxygen vacancies presented in NiO samples leads to the distribution of activation energies, which determine the kinetics of non-isothermal reduction processes

  7. Asymptotic Approximations to the Non-Isothermal Distributed Activation Energy Model for Bio-Mass Pyrolysis

    Directory of Open Access Journals (Sweden)

    Dhaundiyal Alok

    2017-12-01

    Full Text Available This paper describes the influence of some parameters significant to biomass pyrolysis on the numerical solutions of the non-isothermal nth order distributed activation energy model (DAEM using the Gamma distribution and discusses the special case for the positive integer value of the scale parameter (λ, i.e. the Erlang distribution. Investigated parameters are the integral upper limit, the frequency factor, the heating rate, the reaction order, and the shape and rate parameters of the Gamma distribution. Influence of these parameters has been considered for the determination of the kinetic parameters of the non-isothermal nth order Gamma distribution from the experimentally derived thermoanalytical data of biomass pyrolysis. Mathematically, the effect of parameters on numerical solution is also used for predicting the behaviour of the unpyrolysized fraction of biomass with respect to temperature. Analysis of the mathematical model is based upon asymptotic expansions, which leads to the systematic methods for efficient way to determine the accurate approximations. The proposed method, therefore, provides a rapid and highly effective way for estimating the kinetic parameters and the distribution of activation energies.

  8. Non-isothermal modelling of the all-vanadium redox flow battery

    International Nuclear Information System (INIS)

    Al-Fetlawi, H.; Shah, A.A.; Walsh, F.C.

    2009-01-01

    An non-isothermal model for the all-vanadium redox flow battery (RFB) is presented. The two-dimensional model is based on a comprehensive description of mass, charge, energy and momentum transport and conservation, and is combined with a global kinetic model for reactions involving vanadium species. Heat is generated as a result of activation losses, electrochemical reaction and ohmic resistance. Numerical simulations demonstrate the effects of changes in the operating temperature on performance. It is shown that variations in the electrolyte flow rate and the magnitude of the applied current substantially alter the charge/discharge characteristics, the temperature rise and the distribution of temperature. The influence of heat losses on the charge/discharge behaviour and temperature distribution is investigated. Conditions for localised heating and membrane degradation are discussed.

  9. Equilibrium arsenic adsorption onto metallic oxides : Isotherm models, error analysis and removal mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Simsek, Esra Bilgin [Yalova University, Yalova (Turkmenistan); Beker, Ulker [Yldz Technical University, Istanbul (Turkmenistan)

    2014-11-15

    Arsenic adsorption properties of mono- (Fe or Al) and binary (Fe-Al) metal oxides supported on natural zeolite were investigated at three levels of temperature (298, 318 and 338 K). All data obtained from equilibrium experiments were analyzed by Freundlich, Langmuir, Dubinin-Radushkevich, Sips, Toth and Redlich-Peterson isotherms, and error functions were used to predict the best fitting model. The error analysis demonstrated that the As(Ⅴ) adsorption processes were best described by the Dubinin-Raduskevich model with the lowest sum of normalized error values. According to results, the presence of iron and aluminum oxides in the zeolite network improved the As(Ⅴ) adsorption capacity of the raw zeolite (ZNa). The X-ray photoelectron spectroscopy (XPS) analyses of ZNa-Fe and ZNa-AlFe samples suggested that the redox reactions are the postulated mechanisms for the adsorption onto them while the adsorption process is followed by surface complexation reactions for ZNa-Al.

  10. Incorporating classic adsorption isotherms into modern surface complexation models: implications for sorption of radionuclides

    International Nuclear Information System (INIS)

    Kulik, D.A.

    2005-01-01

    Full text of publication follows: Computer-aided surface complexation models (SCM) tend to replace the classic adsorption isotherm (AI) analysis in describing mineral-water interface reactions such as radionuclide sorption onto (hydr) oxides and clays. Any site-binding SCM based on the mole balance of surface sites, in fact, reproduces the (competitive) Langmuir isotherm, optionally amended with electrostatic Coulomb's non-ideal term. In most SCM implementations, it is difficult to incorporate real-surface phenomena (site heterogeneity, lateral interactions, surface condensation) described in classic AI approaches other than Langmuir's. Thermodynamic relations between SCMs and AIs that remained obscure in the past have been recently clarified using new definitions of standard and reference states of surface species [1,2]. On this basis, a method for separating the Langmuir AI into ideal (linear) and non-ideal parts [2] was applied to multi-dentate Langmuir, Frumkin, and BET isotherms. The aim of this work was to obtain the surface activity coefficient terms that make the SCM site mole balance constraints obsolete and, in this way, extend thermodynamic SCMs to cover sorption phenomena described by the respective AIs. The multi-dentate Langmuir term accounts for the site saturation with n-dentate surface species, as illustrated on modeling bi-dentate U VI complexes on goethite or SiO 2 surfaces. The Frumkin term corrects for the lateral interactions of the mono-dentate surface species; in particular, it has the same form as the Coulombic term of the constant-capacitance EDL combined with the Langmuir term. The BET term (three parameters) accounts for more than a monolayer adsorption up to the surface condensation; it can potentially describe the surface precipitation of nickel and other cations on hydroxides and clay minerals. All three non-ideal terms (in GEM SCMs implementation [1,2]) by now are used for non-competing surface species only. Upon 'surface dilution

  11. Modeling of isothermal bubbly flow with interfacial area transport equation and bubble number density approach

    Energy Technology Data Exchange (ETDEWEB)

    Sari, Salih [Hacettepe University, Department of Nuclear Engineering, Beytepe, 06800 Ankara (Turkey); Erguen, Sule [Hacettepe University, Department of Nuclear Engineering, Beytepe, 06800 Ankara (Turkey); Barik, Muhammet; Kocar, Cemil; Soekmen, Cemal Niyazi [Hacettepe University, Department of Nuclear Engineering, Beytepe, 06800 Ankara (Turkey)

    2009-03-15

    In this study, isothermal turbulent bubbly flow is mechanistically modeled. For the modeling, Fluent version 6.3.26 is used as the computational fluid dynamics solver. First, the mechanistic models that simulate the interphase momentum transfer between the gas (bubbles) and liquid (continuous) phases are investigated, and proper models for the known flow conditions are selected. Second, an interfacial area transport equation (IATE) solution is added to Fluent's solution scheme in order to model the interphase momentum transfer mechanisms. In addition to solving IATE, bubble number density (BND) approach is also added to Fluent and this approach is also used in the simulations. Different source/sink models derived for the IATE and BND models are also investigated. The simulations of experiments based on the available data in literature are performed by using IATE and BND models in two and three-dimensions. The results show that the simulations performed by using IATE and BND models agree with each other and with the experimental data. The simulations performed in three-dimensions give better agreement with the experimental data.

  12. Modeling of isothermal bubbly flow with interfacial area transport equation and bubble number density approach

    International Nuclear Information System (INIS)

    Sari, Salih; Erguen, Sule; Barik, Muhammet; Kocar, Cemil; Soekmen, Cemal Niyazi

    2009-01-01

    In this study, isothermal turbulent bubbly flow is mechanistically modeled. For the modeling, Fluent version 6.3.26 is used as the computational fluid dynamics solver. First, the mechanistic models that simulate the interphase momentum transfer between the gas (bubbles) and liquid (continuous) phases are investigated, and proper models for the known flow conditions are selected. Second, an interfacial area transport equation (IATE) solution is added to Fluent's solution scheme in order to model the interphase momentum transfer mechanisms. In addition to solving IATE, bubble number density (BND) approach is also added to Fluent and this approach is also used in the simulations. Different source/sink models derived for the IATE and BND models are also investigated. The simulations of experiments based on the available data in literature are performed by using IATE and BND models in two and three-dimensions. The results show that the simulations performed by using IATE and BND models agree with each other and with the experimental data. The simulations performed in three-dimensions give better agreement with the experimental data

  13. Evaluation of the Weibull and log normal distribution functions as survival models of Escherichia coli under isothermal and non isothermal conditions.

    Science.gov (United States)

    Aragao, Glaucia M F; Corradini, Maria G; Normand, Mark D; Peleg, Micha

    2007-11-01

    Published survival curves of Escherichia coli in two growth media, with and without the presence of salt, at various temperatures and in a Greek eggplant salad having various levels of essential oil, all had a characteristic downward concavity when plotted on semi logarithmic coordinates. Some also exhibited what appeared as a 'shoulder' of considerable length. Regardless of whether a shoulder was noticed, the survival pattern could be considered as a manifestation of an underlying unimodal distribution of the cells' death times. Mathematically, the data could be described equally well by the Weibull and log normal distribution functions, which had similar modes, means, standard deviations and coefficients of skewness. When plotted in their probability density function (PDF) form, the curves also appeared very similar visually. This enabled us to quantify and compare the effect of temperature or essential oil concentration on the organism's survival in terms of these temporal distributions' characteristics. Increased lethality was generally expressed in a shorter mean and mode, a smaller standard deviation and increased overall symmetry as judged by the distributions' degree of skewness. The 'shoulder', as expected, simply indicated that the distribution's standard deviation was much smaller than its mode. Rate models based on the two distribution functions could be used to predict non isothermal survival patterns. They were derived on the assumption that the momentary inactivation rate is the isothermal rate at the momentary temperature at a time that corresponds to the momentary survival ratio. In this application, however, the Weibullian model with a fixed power was not only simpler and more convenient mathematically than the one based on the log normal distribution, but it also provided more accurate estimates of the dynamic inactivation patterns.

  14. Sorption Isotherm Modelling Of Fermented Cassava Flour by Red Yeast Rice

    Science.gov (United States)

    Cahyanti, M. N.; Alfiah, M. N.; Hartini, S.

    2018-04-01

    The objective of the study is to determine the characteristic of moisture sorption isotherm from fermented cassava flour by red yeast rice using various modeling. This research used seven salt solutions and storage temperature of 298K, 303K, and 308K. The models used were Brunauer-Emmet-Teller (BET), Guggenheim-Anderson-de Boer (GAB) and Caurie model. The monolayer moisture content was around 4.51 – 5.99% db. Constant related to absorption heat in the multilayer area of [GAB model was around 0.86-0,91. Constant related to absorption heat in the monolayer area of GAB model was around 4.67-5.97. Constant related to absorption heat in the monolayer area of BET model was around 4.83-7.04. Caurie constant was around 1.25-1.59. The equilibrium and monolayer moisture content on fermented cassava flour by red yeast rice was decreasing as increasing temperature. GAB constant value indicated that the process of moisture absorption on the fermented cassava flour by red yeast rice categorized in type II.

  15. Analysis of isothermal and cooling rate dependent immersion freezing by a unifying stochastic ice nucleation model

    Science.gov (United States)

    Alpert, P. A.; Knopf, D. A.

    2015-05-01

    Immersion freezing is an important ice nucleation pathway involved in the formation of cirrus and mixed-phase clouds. Laboratory immersion freezing experiments are necessary to determine the range in temperature (T) and relative humidity (RH) at which ice nucleation occurs and to quantify the associated nucleation kinetics. Typically, isothermal (applying a constant temperature) and cooling rate dependent immersion freezing experiments are conducted. In these experiments it is usually assumed that the droplets containing ice nuclei (IN) all have the same IN surface area (ISA), however the validity of this assumption or the impact it may have on analysis and interpretation of the experimental data is rarely questioned. A stochastic immersion freezing model based on first principles of statistics is presented, which accounts for variable ISA per droplet and uses physically observable parameters including the total number of droplets (Ntot) and the heterogeneous ice nucleation rate coefficient, Jhet(T). This model is applied to address if (i) a time and ISA dependent stochastic immersion freezing process can explain laboratory immersion freezing data for different experimental methods and (ii) the assumption that all droplets contain identical ISA is a valid conjecture with subsequent consequences for analysis and interpretation of immersion freezing. The simple stochastic model can reproduce the observed time and surface area dependence in immersion freezing experiments for a variety of methods such as: droplets on a cold-stage exposed to air or surrounded by an oil matrix, wind and acoustically levitated droplets, droplets in a continuous flow diffusion chamber (CFDC), the Leipzig aerosol cloud interaction simulator (LACIS), and the aerosol interaction and dynamics in the atmosphere (AIDA) cloud chamber. Observed time dependent isothermal frozen fractions exhibiting non-exponential behavior with time can be readily explained by this model considering varying ISA. An

  16. Modelling of isothermal remanence magnetisation curves for an assembly of macrospins

    International Nuclear Information System (INIS)

    Tournus, F.

    2015-01-01

    We present a robust and efficient framework to compute isothermal remanent magnetisation (IRM) curves for magnetic nanoparticle assemblies. The assembly is modelled by independent, randomly oriented, uniaxial macrospins and we use a Néel model to take into account the thermal relaxation. A simple analytic expression is established for a single size, in a sudden switching approximation, and is compared to more evolved models. We show that for realistic samples (necessarily presenting a size dispersion) the simple model is very satisfactory. With this framework, it is then possible to reliably simulate IRM curves, which can be compared to experimental measurements and used in a best fit procedure. We also examine the influence of several parameters on the IRM curves and we discuss the link between the irreversible susceptibility and the switching field distribution. - Highlights: • A framework to compute IRM curves for nanoparticle assemblies is presented. • A simple analytic expression (for a single size) is compared to more evolved models. • The simple expression can reliably simulate IRM curves for realistic samples. • Irreversible susceptibility and the influence of several parameters is discussed

  17. Transient non-isothermal model of a polymer electrolyte fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Shah, A.A. [Queen' s-RMC Fuel Cell Research Centre, 945 Princess Street, Kingston, Ont. K7L 5L9 (Canada); Kim, G.-S.; Harvey, D. [Ballard Power Systems, 4343 North Fraser Way, Burnaby, BC V5J 5J9 (Canada); Sui, P.C. [Institute for Integrated Energy Systems, University of Victoria, Victoria, BC V8W 3P6 (Canada)

    2007-01-01

    In this paper we present a one-dimensional transient model for the membrane electrode assembly of a polymer-electrolyte fuel cell. In earlier work we established a framework to describe the water balance in a steady-state, non-isothermal cathode model that explicitly included an agglomerate catalyst layer component. This paper extends that work in several directions, explicitly incorporating components of the anode, including a micro-porous layer, and accounting for electronic potential variations, gas convection and time dependance. The inclusion of temperature effects, which are vital to the correct description of condensation and evaporation, is new to transient modelling. Several examples of the modelling results are given in the form of potentiostatic sweeps and compared to experimental results. Excellent qualitative agreement is demonstrated, particularly in regard to the phenomenon of hysteresis, a manifestation of the sensitive response of the system to the presence of water. Results pertaining to pore size, contact angle and the presence of a micro-porous layer are presented and future work is discussed. (author)

  18. Modeling and simulation of an isothermal reactor for methanol steam reforming

    Directory of Open Access Journals (Sweden)

    Raphael Menechini Neto

    2014-04-01

    Full Text Available Due to growing electricity demand, cheap renewable energy sources are needed. Fuel cells are an interesting alternative for generating electricity since they use hydrogen as their main fuel and release only water and heat to the environment. Although fuel cells show great flexibility in size and operating temperature (some models even operate at low temperatures, the technology has the drawback for hydrogen transportation and storage. However, hydrogen may be produced from methanol steam reforming obtained from renewable sources such as biomass. The use of methanol as raw material in hydrogen production process by steam reforming is highly interesting owing to the fact that alcohol has the best hydrogen carbon-1 ratio (4:1 and may be processed at low temperatures and atmospheric pressures. They are features which are desirable for its use in autonomous fuel cells. Current research develops a mathematical model of an isothermal methanol steam reforming reactor and validates it against experimental data from the literature. The mathematical model was solved numerically by MATLAB® and the comparison of its predictions for different experimental conditions indicated that the developed model and the methodology for its numerical solution were adequate. Further, a preliminary analysis was undertaken on methanol steam reforming reactor project for autonomous fuel cell.

  19. Precipitation model in microalloyed steels both isothermal and continuous cooling conditions

    International Nuclear Information System (INIS)

    Medina, S. F.; Quispe, A.; Gomez, M.

    2015-01-01

    Niobium and vanadium precipitates (nitrides and carbides) can inhibit the static recrystallization of austenite but this does not happen for Ti, which form nitrides at high temperatures. RPTT diagrams show the interaction between recrystallization and precipitation allowing study the strain induced precipitation kinetics and precipitate coarsening. Based on Dutta and Sellars expression for the start of strain-induced precipitation in microalloyed steels, a new model has been constructed which takes into account the influence of variables such as microalloying element percentages, strain, temperature, strain rate and grain size. Recrystallization- Precipitation-Time-Temperature (RPTT) diagrams have been plotted thanks to a new experimental study carried out by means of hot torsion tests on approximately twenty microalloyed steels with different Nb, V and Ti contents. Mathematical analysis of the results recommends the modification of some parameters such as the supersaturation ratio (ks) and constant B, which is no longer a constant but a function of ks. The expressions are now more consistent and predict the Precipitation-Time-Temperature (PTT) curves with remarkable accuracy. The model for strain-induced precipitation kinetics is completed by means of Avramis equation. Finally, the model constructed in isothermal testing conditions, it has been converted to continuous cooling conditions in order to apply it in hot rolling. (Author)

  20. Development of a kinetic model for bainitic isothermal transformation in transformation-induced plasticity steels

    International Nuclear Information System (INIS)

    Li, S.; Zhu, R.; Karaman, I.; Arróyave, R.

    2013-01-01

    In this work, we modify existing models to simulate the kinetics of bainitic transformation during the bainitic isothermal transformation (BIT) stage of a typical two-stage heat treatment – BIT is preceded by an intercritical annealing treatment – for TRIP steels. This effort is motivated by experiments performed in a conventional TRIP steel alloy (Fe–0.32C–1.42Mn–1.56Si) that suggest that thermodynamics alone are not sufficient to predict the amount of retained austenite after BIT. The model implemented in this work considers the non-homogeneous distribution of carbon – resulting from finite carbon diffusion rates – within the retained austenite during bainitic transformation. This non-homogeneous distribution is responsible for average austenite carbon enrichments beyond the so-called T 0 line, the temperature at which the chemical driving force for the bainitic transformation is exhausted. In order to attain good agreement with experiments, the existence of carbon-rich austenite films adjacent to bainitic ferrite plates is posited. The presence of this austenite film is motivated by earlier experimental work published by other groups in the past decade. The model is compared with experimental results and good qualitative agreement is found

  1. Non-isothermal electrochemical model for lithium-ion cells with composite cathodes

    Science.gov (United States)

    Basu, Suman; Patil, Rajkumar S.; Ramachandran, Sanoop; Hariharan, Krishnan S.; Kolake, Subramanya Mayya; Song, Taewon; Oh, Dukjin; Yeo, Taejung; Doo, Seokgwang

    2015-06-01

    Transition metal oxide cathodes for Li-ion batteries offer high energy density and high voltage. Composites of these materials have shown excellent life expectancy and improved thermal performance. In the present work, a comprehensive non-isothermal electrochemical model for a Lithium ion cell with a composite cathode is developed. The present work builds on lithium concentration-dependent diffusivity and thermal gradient of cathode potential, obtained from experiments. The model validation is performed for a wide range of temperature and discharge rates. Excellent agreement is found for high and room temperature with moderate success at low temperatures, which can be attributed to the low fidelity of material properties at low temperature. Although the cell operation is limited by electronic conductivity of NCA at room temperature, at low temperatures a shift in controlling process is seen, and operation is limited by electrolyte transport. At room temperature, the lithium transport in Cathode appears to be the main source of heat generation with entropic heat as the primary contributor at low discharge rates and ohmic heat at high discharge rates respectively. Improvement in electronic conductivity of the cathode is expected to improve the performance of these composite cathodes and pave way for its wider commercialization.

  2. Black tide model of QSOs. II. Destruction in an isothermal sphere

    International Nuclear Information System (INIS)

    Young, P.J.

    1977-01-01

    The quasar models employing a black hole in a galactic nucleus are considered; it is shown that the black hole may be able to destroy the stellar population of the galactic nucleus in sufficient numbers to provide a power source for QSO, Seyfert nucleus, and radio galaxy phenomena.The basic model is of a black hole embedded in an isothermal sphere. When the mass of the hole M/sub H/9 or approx. =10 6 M/sub sun/it grows mainly by tidally disrupting stars which stray within its Roche limit. This source of gaseous debris for the hole to accrete is cut off due to falling stellar densities outside the galactic nucleus coupled with insufficiently fast relaxation of the stellar population into low angular momentum orbits; luminosities above 10 9 L/sub sun/are not possible. However, when M/sub H/9 or approx. =10 6 M/sub sun/a high-density cusp of stars bound to the black hole generates gaseous debris from stellar collisions and gravitational diffusion processes and allows sufficient fuel to boost the power output of the black hole to > or approx. =10 12 L/sub sun/in superdense galactic nuclei. This is cut off as the hole consumes the nucleus and lengthening relaxation times freeze the quasar into oblivion. This decay occurs only slowly with Lproportionalt/sup -1/2/

  3. An isotherm-based thermodynamic model of multicomponent aqueous solutions, applicable over the entire concentration range.

    Science.gov (United States)

    Dutcher, Cari S; Ge, Xinlei; Wexler, Anthony S; Clegg, Simon L

    2013-04-18

    In previous studies (Dutcher et al. J. Phys. Chem. C 2011, 115, 16474-16487; 2012, 116, 1850-1864), we derived equations for the Gibbs energy, solvent and solute activities, and solute concentrations in multicomponent liquid mixtures, based upon expressions for adsorption isotherms that include arbitrary numbers of hydration layers on each solute. In this work, the long-range electrostatic interactions that dominate in dilute solutions are added to the Gibbs energy expression, thus extending the range of concentrations for which the model can be used from pure liquid solute(s) to infinite dilution in the solvent, water. An equation for the conversion of the reference state for solute activity coefficients to infinite dilution in water has been derived. A number of simplifications are identified, notably the equivalence of the sorption site parameters r and the stoichiometric coefficients of the solutes, resulting in a reduction in the number of model parameters. Solute concentrations in mixtures conform to a modified Zdanovskii-Stokes-Robinson mixing rule, and solute activity coefficients to a modified McKay-Perring relation, when the effects of the long-range (Debye-Hückel) term in the equations are taken into account. Practical applications of the equations to osmotic and activity coefficients of pure aqueous electrolyte solutions and mixtures show both satisfactory accuracy from low to high concentrations, together with a thermodynamically reasonable extrapolation (beyond the range of measurements) to extreme concentration and to the pure liquid solute(s).

  4. Kinetic Model of LiFePO4 Formation Using Non-Isothermal Thermogravimetric Analysis

    Directory of Open Access Journals (Sweden)

    Abdul Halim

    2014-03-01

    Full Text Available The formation reaction of LiFePO4 from decomposition of precursors LiOH, FeSO4.7H2O and (NH42HPO4 with mol ratio of Li:Fe:P=1:1:1 was investigated. The experiment was carried out by thermogravimetric differential thermal analysis (TG-DTA method using nitrogen as atmosfer at a constant heating rate to obtain kinetic constant parameters. Several heating rates were selected, there are 5, 7, 10, 15, 17.5, 22.5 and 25 °C/min. Activation energy, pre-exponential factor and reaction order were taken using Kissinger method and obtained respectively 56.086 kJ/mol, 6.95×108 min-1, and 1.058. Based on fitting result between reaction model and experiment were obtained that reaction obeyed the three dimension diffusion model. © 2014 BCREC UNDIP. All rights reservedReceived: 19th September 2013; Revised: 9th December 2013; Accepted: 23rd January 2014 [How to Cite: Halim, A., Widiyastuti, W., Setyawan, H., Winardi, S. (2014. Kinetic of LiFePO4 For-mation Using Non-isothermal Thermogravimetric Analysis. Bulletin of Chemical Reaction Engineering & Catalysis, 9 (1: 60-65. (doi:10.9767/bcrec.9.1.5508.60-65][Permalink/DOI: http://dx.doi.org/10.9767/bcrec.9.1.5508.60-65] 

  5. Modeling of adsorption isotherms of phenol and chlorophenols onto granular activated carbon. Part I. Two-parameter models and equations allowing determination of thermodynamic parameters.

    Science.gov (United States)

    Hamdaoui, Oualid; Naffrechoux, Emmanuel

    2007-08-17

    The adsorption equilibrium isotherms of five phenolic compounds from aqueous solutions onto granular activated carbon (GAC) were studied and modeled. Phenol (Ph), 2-chlorophenol (2-CP), 4-chlorophenol (4-CP), 2,4-dichlorophenol (DCP), and 2,4,6-trichlorophenol (TCP) were chosen for the adsorption tests. To predict the adsorption isotherms and to determine the characteristic parameters for process design, seven isotherm models: Langmuir (five linear forms), Freundlich, Elovich, Temkin, Fowler-Guggenheim, Kiselev, and Hill-de Boer models were applied to experimental data. The results reveal that the adsorption isotherm models fitted the data in the order: Fowler-Guggenheim>Hill-de Boer>Temkin>Freundlich>Kiselev>Langmuir isotherms. Adsorption isotherms modeling shows that the interaction of phenolic compounds with activated carbon surface is localized monolayer adsorption, that is adsorbed molecules are adsorbed at definite, localized sites. Each site can accommodate only one molecule. The interaction among adsorbed molecules is repulsive and there is no association between them, adsorption is carried out on energetically different sites and is an exothermic process. Uptake of phenols increases in the order Ph<2-CP<4-CP

  6. Modeling non-isothermal multiphase multi-species reactive chemical transport in geologic media

    Energy Technology Data Exchange (ETDEWEB)

    Tianfu Xu; Gerard, F.; Pruess, K.; Brimhall, G.

    1997-07-01

    The assessment of mineral deposits, the analysis of hydrothermal convection systems, the performance of radioactive, urban and industrial waste disposal, the study of groundwater pollution, and the understanding of natural groundwater quality patterns all require modeling tools that can consider both the transport of dissolved species as well as their interactions with solid (or other) phases in geologic media and engineered barriers. Here, a general multi-species reactive transport formulation has been developed, which is applicable to homogeneous and/or heterogeneous reactions that can proceed either subject to local equilibrium conditions or kinetic rates under non-isothermal multiphase flow conditions. Two numerical solution methods, the direct substitution approach (DSA) and sequential iteration approach (SIA) for solving the coupled complex subsurface thermo-physical-chemical processes, are described. An efficient sequential iteration approach, which solves transport of solutes and chemical reactions sequentially and iteratively, is proposed for the current reactive chemical transport computer code development. The coupled flow (water, vapor, air and heat) and solute transport equations are also solved sequentially. The existing multiphase flow code TOUGH2 and geochemical code EQ3/6 are used to implement this SIA. The flow chart of the coupled code TOUGH2-EQ3/6, required modifications of the existing codes and additional subroutines needed are presented.

  7. Investigation of kinetics and absorption isotherm models for hydroponic phytoremediation of waters contaminated with sulfate.

    Science.gov (United States)

    Saber, Ali; Tafazzoli, Milad; Mortazavian, Soroosh; James, David E

    2018-02-01

    Two common wetland plants, Pampas Grass (Cortaderia selloana) and Lucky Bamboo (Dracaena sanderiana), were used in hydroponic cultivation systems for the treatment of simulated high-sulfate wastewaters. Plants in initial experiments at pH 7.0 removed sulfate more efficiently compared to the same experimental conditions at pH 6.0. Results at sulfate concentrations of 50, 200, 300, 600, 900, 1200, 1500 and 3000 mg/L during three consecutive 7-day treatment periods with 1-day rest intervals, showed decreasing trends of both removal efficiencies and uptake rates with increasing sulfate concentrations from the first to the second to the third 7-day treatment periods. Removed sulfate masses per unit dry plant mass, calculated after 23 days, showed highest removal capacity at 600 mg/L sulfate for both plants. A Langmuir-type isotherm best described sulfate uptake capacity of both plants. Kinetic studies showed that compared to pseudo first-order kinetics, pseudo-second order kinetic models slightly better described sulfate uptake rates by both plants. The Elovich kinetic model showed faster rates of attaining equilibrium at low sulfate concentrations for both plants. The dimensionless Elovich model showed that about 80% of sulfate uptake occurred during the first four days' contact time. Application of three 4-day contact times with 2-day rest intervals at high sulfate concentrations resulted in slightly higher uptakes compared to three 7-day contact times with 1-day rest intervals, indicating that pilot-plant scale treatment systems could be sized with shorter contact times and longer rest-intervals. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Modeling of kinetics of isothermal idiomorphic ferrite formation in a medium carbon vanadium-titanium microalloyed steel

    International Nuclear Information System (INIS)

    Capdevila, C.; Caballer, E. G.; Garcia de Andres, C.

    2002-01-01

    A theoretical model is presented in this work to calculate the evolution of isothermal austenite-to-idiomorphic ferrite transformation in a medium carbon vanadium-titanium microalloyed steel. This model has been developed on the basis of the study of the nucleation and growth kinetics of idiomorphic ferrite, considering the influence of the nature, size and distribution of the inclusions, which are responsible of the intragranular nucleation of idiomorphic ferrite. Moreover, the influence of the austenite grain size on the isothermal decomposition of austenite in idiomorphic ferrite has been thoroughly analysed. An excellent agreement (85% in R''2) has been obtained between experimental and predicted values of volume fraction of idiomorphic ferrite. (Author) 32 refs

  9. Absorption of calcium ions on oxidized graphene sheets and study its dynamic behavior by kinetic and isothermal models

    Directory of Open Access Journals (Sweden)

    Mahmoud Fathy

    2016-07-01

    Full Text Available Abstract Sorption of calcium ion from the hard underground water using novel oxidized graphene (GO sheets was studied in this paper. Physicochemical properties and microstructure of graphene sheets were investigated using Raman spectrometer, thermogravimetry analyzer, transmission electron microscope, scanning electron microscope. The kinetics adsorption of calcium on graphene oxide sheets was examined using Lagergren first and second orders. The results show that the Lagergren second-order was the best-fit model that suggests the conception process of calcium ion adsorption on the Go sheets. For isothermal studies, the Langmuir and Freundlich isotherm models were used at temperatures ranging between 283 and 313 K. Thermodynamic parameters resolved at 283, 298 and 313 K indicating that the GO adsorption was exothermic spontaneous process. Finally, the graphene sheets show high partiality toward calcium particles and it will be useful in softening and treatment of hard water.

  10. Modelling of the isothermal replication of surface microstructures in polymer melts

    DEFF Research Database (Denmark)

    Rasmussen, Henrik Koblitz; Eriksson, Torbjörn Gerhard

    2005-01-01

    boundary condition. This allows an investigation of the effect of the rheological properties of the polymer melt on the ability of the material to fill small structures in a mould surface. Series of isothermal compression moulding experiments were performed with a polycarbonate (PC) and a polystyrene (PS...

  11. Chromatographic and traditional albumin isotherms on cellulose: a model for wound protein adsorption on modified cotton

    Science.gov (United States)

    Albumin is the most abundant protein found in healing wounds. Traditional and chromatogrpahic protein isotherms of albumin binding on modified cotton fibers are useful in understanding albumin binding to cellulose wound dressings. An important consideration in the design of cellulosic wound dressin...

  12. Isothermal flow measurement using planar PIV in the 1/4 scaled model of CANDU reactor

    Energy Technology Data Exchange (ETDEWEB)

    Im, Sunghyuk; Sung, Hyung Jin [KAIST, Daejeon (Korea, Republic of); Seo, Han; Bang, In Cheol [UNIST, Ulsan (Korea, Republic of); Kim, Hyoung Tae [KAERI, Daejeon (Korea, Republic of)

    2015-05-15

    The local temperature of the moderator is a key parameter in determining the available subcooling. To predict the flow field and local temperature distribution in the calandria, Korea Atomic Energy Research Institute (KAERI) started the experimental research on moderator circulation as one of a national R and D research programs from 2012. This research program includes the construction of the Moderator Circulation Test (MCT) facility, production of the validation data for self-reliant CFD tools, and development of optical measurement system using the Particle Image Velocimetry (PIV) and Laser Induced Fluorescence (LIF) techniques. Small-scale 1/40 and 1/8 small-scale model tests were performed prior to installation of the main MCT facility to identify the potential problems of the flow visualization and measurement expected in the 1/4 scale MCT facility. In the 1/40 scale test, a flow field was measured with a PIV measurement technique under an iso-thermal state, and the temperature field was visualized using a LIF technique. In this experiment, the key point was to illuminate the region of interest as uniformly as possible since the velocity and temperature fields in the shadow regions were distorted and unphysical. In the 1/8 scale test, the flow patterns from the inlet nozzles to the top region of the tank were investigated using PIV measurement at two different positions of the inlet nozzle. For each position of laser beam exposure the measurement sections were divided to 7 groups to overcome the limitation of the laser power to cover the relatively large test section. The MCT facility is the large-scale facility designed to reproduce the important characteristics of moderator circulation in a CANDU6 calandria under a range of operating conditions. It is reduced in a 1/4 scale and a moderator test vessel is built to the specifications of the CANDU6 reactor design, where a working fluid is sub-cooled water with atmospheric pressure. Previous studies were

  13. Isothermal flow measurement using planar PIV in the 1/4 scaled model of CANDU reactor

    International Nuclear Information System (INIS)

    Im, Sunghyuk; Sung, Hyung Jin; Seo, Han; Bang, In Cheol; Kim, Hyoung Tae

    2015-01-01

    The local temperature of the moderator is a key parameter in determining the available subcooling. To predict the flow field and local temperature distribution in the calandria, Korea Atomic Energy Research Institute (KAERI) started the experimental research on moderator circulation as one of a national R and D research programs from 2012. This research program includes the construction of the Moderator Circulation Test (MCT) facility, production of the validation data for self-reliant CFD tools, and development of optical measurement system using the Particle Image Velocimetry (PIV) and Laser Induced Fluorescence (LIF) techniques. Small-scale 1/40 and 1/8 small-scale model tests were performed prior to installation of the main MCT facility to identify the potential problems of the flow visualization and measurement expected in the 1/4 scale MCT facility. In the 1/40 scale test, a flow field was measured with a PIV measurement technique under an iso-thermal state, and the temperature field was visualized using a LIF technique. In this experiment, the key point was to illuminate the region of interest as uniformly as possible since the velocity and temperature fields in the shadow regions were distorted and unphysical. In the 1/8 scale test, the flow patterns from the inlet nozzles to the top region of the tank were investigated using PIV measurement at two different positions of the inlet nozzle. For each position of laser beam exposure the measurement sections were divided to 7 groups to overcome the limitation of the laser power to cover the relatively large test section. The MCT facility is the large-scale facility designed to reproduce the important characteristics of moderator circulation in a CANDU6 calandria under a range of operating conditions. It is reduced in a 1/4 scale and a moderator test vessel is built to the specifications of the CANDU6 reactor design, where a working fluid is sub-cooled water with atmospheric pressure. Previous studies were

  14. Multiphase Model of Semisolid Slurry Generation and Isothermal Holding During Cooling Slope Rheoprocessing of A356 Al Alloy

    Science.gov (United States)

    Das, Prosenjit; Samanta, Sudip K.; Mondal, Biswanath; Dutta, Pradip

    2018-04-01

    In the present paper, we present an experimentally validated 3D multiphase and multiscale solidification model to understand the transport processes involved during slurry generation with a cooling slope. In this process, superheated liquid alloy is poured at the top of the cooling slope and allowed to flow along the slope under the influence of gravity. As the melt flows down the slope, it progressively loses its superheat, starts solidifying at the melt/slope interface with formation of solid crystals, and eventually exits the slope as semisolid slurry. In the present simulation, the three phases considered are the parent melt as the primary phase, and the solid grains and air as secondary phases. The air phase forms a definable air/liquid melt interface as the free surface. After exiting the slope, the slurry fills an isothermal holding bath maintained at the slope exit temperature, which promotes further globularization of microstructure. The outcomes of the present model include prediction of volume fractions of the three different phases considered, grain evolution, grain growth, size, sphericity and distribution of solid grains, temperature field, velocity field, macrosegregation and microsegregation. In addition, the model is found to be capable of making predictions of morphological evolution of primary grains at the onset of isothermal coarsening. The results obtained from the present simulations are validated by performing quantitative image analysis of micrographs of the rapidly oil-quenched semisolid slurry samples, collected from strategic locations along the slope and from the isothermal slurry holding bath.

  15. Sorption isotherms modeling approach of rice-based instant soup mix stored under controlled temperature and humidity

    Directory of Open Access Journals (Sweden)

    Yogender Singh

    2015-12-01

    Full Text Available Moisture sorption isotherms of rice-based instant soup mix at temperature range 15–45°C and relative humidity from 0.11 to 0.86 were determined using the standard gravimetric static method. The experimental sorption curves were fitted by five equations: Chung-Pfost, GAB, Henderson, Kuhn, and Oswin. The sorption isotherms of soup mix decreased with increasing temperature, exhibited type II behavior according to BET classification. The GAB, Henderson, Kuhn, and Oswin models were found to be the most suitable for describing the sorption curves. The isosteric heat of sorption of water was determined from the equilibrium data at different temperatures. It decreased as moisture content increased and was found to be a polynomial function of moisture content. The study has provided information and data useful in large-scale commercial production of soup and have great importance to combat the problem of protein-energy malnutrition in underdeveloped and developing countries.

  16. Isotopic composition of precipitations in Brazil: isothermic models and the influence of evapotranspiration in the Amazonic Basin

    International Nuclear Information System (INIS)

    Dall'Olio, Attilio.

    1976-11-01

    The simplest theoretical models of the isotopic fractionation of water during equilibrium isothermical processes are analized in detail. The theoretical results are applied to the interpretation of the stable isotope concentrations in the precipitations of 11 Brazilian cities that belong to the international network of IAEA/WMO. The analysis shows that the experimental data are fairly consistent with such equilibrium models; no non-equilibrium processes need to be assumed. The study of the stable isotope content of precipitations in the Amazonic Basin suggests some modifications to the models in order that the evapotranspiration contribution to the vapour balance be taken into account [pt

  17. Determination and modeling of desorption isotherms of Maria biscuits from different brands

    OpenAIRE

    Pereira, DFC; Correia, PMR; Guiné, Raquel

    2012-01-01

    Biscuits (sweet, strongly sweet, semi-sweet biscuits, crackers, wafers) are characterized by a low moisture content in the final product and high levels of fat and sugar [1]. Dehydrated foods, such as biscuits, are very sensitive to gain moisture from the surrounding atmosphere, resulting in a consequent deterioration. When, at constant temperature, the product's moisture increases from the atmosphere, is obtained the adsorption isotherm and when it loses moisture is obtained the desorption i...

  18. Ammonium removal from aqueous solutions by clinoptilolite: determination of isotherm and thermodynamic parameters and comparison of kinetics by the double exponential model and conventional kinetic models.

    Science.gov (United States)

    Tosun, Ismail

    2012-03-01

    The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R)) and four three-parameter (Redlich-Peterson (R-P), Sips, Toth and Khan) isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E) from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R(2)) of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM) showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (∆G°), enthalpy (∆H°) and entropy (∆S°) of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients.

  19. Ammonium Removal from Aqueous Solutions by Clinoptilolite: Determination of Isotherm and Thermodynamic Parameters and Comparison of Kinetics by the Double Exponential Model and Conventional Kinetic Models

    Directory of Open Access Journals (Sweden)

    İsmail Tosun

    2012-03-01

    Full Text Available The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R and four three-parameter (Redlich-Peterson (R-P, Sips, Toth and Khan isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R2 of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (∆G°, enthalpy (∆H° and entropy (∆S° of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients.

  20. Isothermal Titration Calorimetry and Fluorescence Spectroscopy Study Of Asphaltene Self-Association In Toluene And Interaction With A Model Resin

    DEFF Research Database (Denmark)

    Garcia, Daniel Merino; Andersen, Simon Ivar

    2002-01-01

    This article collects the work performed by Isothermal Titration Caloritnetry (ITC) in the study of the self-association of asphaltenes in toluene solutions. Calorimetric experiments show that asphaltenes, start self-associating at very low concentrations and that the existence of a Critical...... with the results of the titration of three model molecules: nonylphenol, which associates by means of hydrogen bond formation, and coronene and pyrene, which associates by stacking. The results obtained leave open the question about the model-stacking molecules, as it was not possible to elucidate whether they do...

  1. A Model of the Effect of the Microbial Biomass on the Isotherm of the Fermenting Solids in Solid-State Fermentation

    Directory of Open Access Journals (Sweden)

    Barbara Celuppi Marques

    2006-01-01

    Full Text Available We compare isotherms for soybeans and soybeans fermented with Rhizopus oryzae, showing that in solid-state fermentation the biomass affects the isotherm of the fermenting solids. Equations are developed to calculate, for a given overall water content of the fermenting solids, the water contents of the biomass and residual substrate, as well as the water activity. A case study, undertaken using a mathematical model of a well-mixed bioreactor, shows that if water additions are made on the basis of the assumption that fermenting solids have the same isotherm as the substrate itself, poor growth can result since the added water does not maintain the water activity at levels favorable for growth. We conclude that the effect of the microbial biomass on the isotherm of the fermenting solids must be taken into account in mathematical models of solid-state fermentation bioreactors.

  2. Approximations to the Non-Isothermal Distributed Activation Energy Model for Biomass Pyrolysis Using the Rayleigh Distribution

    Directory of Open Access Journals (Sweden)

    Dhaundiyal Alok

    2017-09-01

    Full Text Available This paper deals with the influence of some parameters relevant to biomass pyrolysis on the numerical solutions of the nonisothermal nth order distributed activation energy model using the Rayleigh distribution. Investigated parameters are the integral upper limit, the frequency factor, the heating rate, the reaction order and the scale parameters of the Rayleigh distribution. The influence of these parameters has been considered for the determination of the kinetic parameters of the non-isothermal nth order Rayleigh distribution from the experimentally derived thermoanalytical data of biomass pyrolysis.

  3. Phase-field modeling of isothermal quasi-incompressible multicomponent liquids

    Science.gov (United States)

    Tóth, Gyula I.

    2016-09-01

    In this paper general dynamic equations describing the time evolution of isothermal quasi-incompressible multicomponent liquids are derived in the framework of the classical Ginzburg-Landau theory of first order phase transformations. Based on the fundamental equations of continuum mechanics, a general convection-diffusion dynamics is set up first for compressible liquids. The constitutive relations for the diffusion fluxes and the capillary stress are determined in the framework of gradient theories. Next the general definition of incompressibility is given, which is taken into account in the derivation by using the Lagrange multiplier method. To validate the theory, the dynamic equations are solved numerically for the quaternary quasi-incompressible Cahn-Hilliard system. It is demonstrated that variable density (i) has no effect on equilibrium (in case of a suitably constructed free energy functional) and (ii) can influence nonequilibrium pattern formation significantly.

  4. A two-phase flow and non-isothermal agglomerate model for a proton exchange membrane (PEM) fuel cell

    International Nuclear Information System (INIS)

    Xing, Lei; Liu, Xiaoteng; Alaje, Taiwo; Kumar, Ravi; Mamlouk, Mohamed; Scott, Keith

    2014-01-01

    A two dimensional, across the channel, steady-state model for a proton exchange membrane fuel cell (PEMFC) is presented in which the non-isothermal model for temperature distribution, the two-phase flow model for liquid water transport and the agglomerate model for oxygen reduction reaction are fully coupled. This model is used to investigate thermal transport within the membrane electrode assembly (MEA) associated with the combinational water phase-transfer and transport mechanisms. Effective temperature distribution strategies are established aim to enhance the cell performance. Agglomerate assumption is adopted in which the ionomer and liquid water in turn cover the agglomerate to form the ionomer and liquid water films. Ionomer swelling is associated with the non-uniform distribution of the water content. The modelling results show that heat accumulates within the cathode catalyst layer under the channel. Higher operating temperature improves the cell performance by increasing the kinetics, reducing the liquid water saturation on the cathode and increasing the water carrying capacity of the anode gas. Applying higher temperature on the anode and enlarging the width ratio of the channel/rib could improve the cell performance. Higher cathode temperature decreases the oxygen mole fraction, resulting in an insufficient oxygen supply and a limitation of the cell performance. - Highlights: • The two-phase flow and non-isothermal model couple with the agglomerate model. • Oxygen diffusivity and solubility in Nafion ® relate to water content and temperature. • Higher anode operating temperature improves the fuel cell performance. • Insufficient oxygen supply limits cell performance at higher current densities

  5. Soft computing modelling of moisture sorption isotherms of milk-foxtail millet powder and determination of thermodynamic properties.

    Science.gov (United States)

    Simha, H V Vikram; Pushpadass, Heartwin A; Franklin, Magdaline Eljeeva Emerald; Kumar, P Arun; Manimala, K

    2016-06-01

    Moisture sorption isotherms of spray-dried milk-foxtail millet powder were determined at 10, 25 and 40 °C. Sorption data was fitted using classical and soft-computing approaches. The isotherms were of type II, and equilibrium moisture content (EMC) was temperature dependent. The BET monolayer moisture content decreased from 3.30 to 2.67 % as temperature increased from 10 to 40 °C. Amongst the classical models, Ferro-Fontan gave the best fit of EMC-aw data. However, the Sugeno-type adaptive neuro-fuzzy inference system (ANFIS) with generalized bell-shaped membership function performed better than artificial neural network and classical models with RMSE as low as 0.0099. The isosteric heat of sorption decreased from 150.32 kJ mol(-1) at 1 % moisture content to 44.11 kJ mol(-1) at 15 % moisture. The enthalpy-entropy compensation theory was validated, and the isokinetic and harmonic mean temperatures were determined as 333.1 and 297.5 K, respectively.

  6. Non-isothermal kinetics model to predict accurate phase transformation and hardness of 22MnB5 boron steel

    Energy Technology Data Exchange (ETDEWEB)

    Bok, H.-H.; Kim, S.N.; Suh, D.W. [Graduate Institute of Ferrous Technology, POSTECH, San 31, Hyoja-dong, Nam-gu, Pohang, Gyeongsangbuk-do (Korea, Republic of); Barlat, F., E-mail: f.barlat@postech.ac.kr [Graduate Institute of Ferrous Technology, POSTECH, San 31, Hyoja-dong, Nam-gu, Pohang, Gyeongsangbuk-do (Korea, Republic of); Lee, M.-G., E-mail: myounglee@korea.ac.kr [Department of Materials Science and Engineering, Korea University, Anam-dong, Seongbuk-gu, Seoul (Korea, Republic of)

    2015-02-25

    A non-isothermal phase transformation kinetics model obtained by modifying the well-known JMAK approach is proposed for application to a low carbon boron steel (22MnB5) sheet. In the modified kinetics model, the parameters are functions of both temperature and cooling rate, and can be identified by a numerical optimization method. Moreover, in this approach the transformation start and finish temperatures are variable instead of the constants that depend on chemical composition. These variable reference temperatures are determined from the measured CCT diagram using dilatation experiments. The kinetics model developed in this work captures the complex transformation behavior of the boron steel sheet sample accurately. In particular, the predicted hardness and phase fractions in the specimens subjected to a wide range of cooling rates were validated by experiments.

  7. Non-isothermal effects on SO2 absorption by water droplets. I - Model development. II - Results and discussion

    Science.gov (United States)

    Reda, M.; Carmichael, G. R.

    1982-01-01

    An analytic model of SO2 absorption in a falling water droplet is developed and a simulation of SO2 washout is performed. Nonisothermic effects on drop growth, droplet physical parameters, reaction rates, and multicomponent diffusion are treated in the model. The gas-liquid interface is assumed to be at equilibrium, and interfacial resistance is negligible. Raindrops are simulated as falling from a 2 km height through an atmospheric region containing SO2. The droplets decrease in size from evaporation and cooling, and their slightly basic pH aids SO2 absorption. The simulation indicates higher SO2 absorption at higher altitudes, and desorption may occur at ground level. Isothermal effects are concluded to be significant, and quantification of effects will depend on further modelling.

  8. Kinetic and Isotherm Modelling of the Adsorption of Phenolic Compounds from Olive Mill Wastewater onto Activated Carbon

    Directory of Open Access Journals (Sweden)

    Alessandro A. Casazza

    2015-01-01

    Full Text Available The adsorption of phenolic compounds from olive oil wastewater by commercial activated carbon was studied as a function of adsorbent quantity and temperature. The sorption kinetics and the equilibrium isotherms were evaluated. Under optimum conditions (8 g of activated carbon per 100 mL, the maximum sorption capacity of activated carbon expressed as mg of caff eic acid equivalent per g of activated carbon was 35.8 at 10 °C, 35.4 at 25 °C and 36.1 at 40 °C. The pseudo-second-order model was considered as the most suitable for kinetic results, and Langmuir isotherm was chosen to bett er describe the sorption system. The results confi rmed the effi ciency of activated carbon to remove almost all phenolic compound fractions from olive mill effl uent. The preliminary results obtained will be used in future studies. The carbohydrate fraction of this upgraded residue could be employed to produce bioethanol, and adsorbed phenolic compounds can be recovered and used in different industries.

  9. Determination and evaluation of gas holdup time with the quadratic equation model and comparison with nonlinear equation models for isothermal gas chromatography

    Science.gov (United States)

    Wu, Liejun; Chen, Maoxue; Chen, Yongli; Li, Qing X.

    2013-01-01

    Gas holdup time (tM) is a basic parameter in isothermal gas chromatography (GC). Determination and evaluation of tM and retention behaviors of n-alkanes under isothermal GC conditions have been extensively studied since the 1950s, but still remains unresolved. The difference equation (DE) model [J. Chromatogr. A 1260:215–223] reveals retention behaviors of n-alkanes excluding tM, while the quadratic equation (QE) model [J. Chromatogr. A 1260:224–231] including tM is suitable for applications. In the present study, tM values were calculated with the QE model, which is referred to as tMT, evaluated and compared with other three typical nonlinear models. The QE model gives an accurate estimation of tM in isothermal GC. The tMT values are highly accurate, stable, and easy to calculate and use. There is only one tMT value at each GC condition. The proper classification of tM values can clarify their disagreement and facilitate GC retention data standardization for which tMT values are promising reference tM values. PMID:23726077

  10. Kinetic and isotherm modeling of Cd (II) adsorption by L-cysteine functionalized multi-walled carbon nanotubes as adsorbent.

    Science.gov (United States)

    Taghavi, Mahmoud; Zazouli, Mohammad Ali; Yousefi, Zabihollah; Akbari-adergani, Behrouz

    2015-11-01

    In this study, multi-walled carbon nanotubes were functionalized by L-cysteine to show the kinetic and isotherm modeling of Cd (II) ions onto L-cysteine functionalized multi-walled carbon nanotubes. The adsorption behavior of Cd (II) ion was studied by varying parameters including dose of L-MWCNTs, contact time, and cadmium concentration. Equilibrium adsorption isotherms and kinetics were also investigated based on Cd (II) adsorption tests. The results showed that an increase in contact time and adsorbent dosage resulted in increase of the adsorption rate. The optimum condition of the Cd (II) removal process was found at pH=7.0, 15 mg/L L-MWCNTs dosage, 6 mg/L cadmium concentration, and contact time of 60 min. The removal percent was equal to 89.56 at optimum condition. Langmuir and Freundlich models were employed to analyze the experimental data. The data showed well fitting with the Langmuir model (R2=0.994) with q max of 43.47 mg/g. Analyzing the kinetic data by the pseudo-first-order and pseudo-second-order equations revealed that the adsorption of cadmium using L-MWSNTs following the pseudo-second-order kinetic model with correlation coefficients (R2) equals to 0.998, 0.992, and 0.998 for 3, 6, and 9 mg/L Cd (II) concentrations, respectively. The experimental data fitted very well with the pseudo-second-order. Overall, treatment of polluted solution to Cd (II) by adsorption process using L-MWCNT can be considered as an effective technology.

  11. How soil organic matter composition controls hexachlorobenzene-soil-interactions: adsorption isotherms and quantum chemical modeling.

    Science.gov (United States)

    Ahmed, Ashour A; Kühn, Oliver; Aziz, Saadullah G; Hilal, Rifaat H; Leinweber, Peter

    2014-04-01

    Hazardous persistent organic pollutants (POPs) interact in soil with the soil organic matter (SOM) but this interaction is insufficiently understood at the molecular level. We investigated the adsorption of hexachlorobenzene (HCB) on soil samples with systematically modified SOM. These samples included the original soil, the soil modified by adding a hot water extract (HWE) fraction (soil+3 HWE and soil+6 HWE), and the pyrolyzed soil. The SOM contents increased in the order pyrolyzed soilsoilsoil+3 HWEsoil+6 HWE. For the latter three samples this order was also valid for the HCB adsorption. The pyrolyzed soil adsorbed more HCB than the other samples at low initial concentrations, but at higher concentrations the HCB adsorption became weaker than in the samples with HWE addition. This adsorption combined with the differences in the chemical composition between the soil samples suggested that alkylated aromatic, phenol, and lignin monomer compounds contributed most to the HCB adsorption. To obtain a molecular level understanding, a test set has been developed on the basis of elemental analysis which comprises 32 representative soil constituents. The calculated binding energy for HCB with each representative system shows that HCB binds to SOM stronger than to soil minerals. For SOM, HCB binds to alkylated aromatic, phenols, lignin monomers, and hydrophobic aliphatic compounds stronger than to polar aliphatic compounds confirming the above adsorption isotherms. Moreover, quantitative structure-activity relationship (QSAR) of the binding energy with independent physical properties of the test set systems for the first time indicated that the polarizability, the partial charge on the carbon atoms, and the molar volume are the most important properties controlling HCB-SOM interactions. Copyright © 2013 Elsevier B.V. All rights reserved.

  12. Modeling Coupled Water and Heat Transport in the Root Zone of Winter Wheat under Non-Isothermal Conditions

    Directory of Open Access Journals (Sweden)

    Rong Ren

    2017-04-01

    Full Text Available Temperature is an integral part of soil quality in terms of moisture content; coupling between water and heat can render a soil fertile, and plays a role in water conservation. Although it is widely recognized that both water and heat transport are fundamental factors in the quantification of soil mass and energy balance, their computation is still limited in most models or practical applications in the root zone under non-isothermal conditions. This research was conducted to: (a implement a fully coupled mathematical model that contains the full coupled process of soil water and heat transport with plants focused on the influence of temperature gradient on soil water redistribution and on the influence of change in soil water movement on soil heat flux transport; (b verify the mathematical model with detailed field monitoring data; and (c analyze the accuracy of the model. Results show the high accuracy of the model in predicting the actual changes in soil water content and temperature as a function of time and soil depth. Moreover, the model can accurately reflect changes in soil moisture and heat transfer in different periods. With only a few empirical parameters, the proposed model will serve as guide in the field of surface irrigation.

  13. Modelling of degradation processes in creep resistant steels through accelerated creep tests after long-term isothermal ageing

    Energy Technology Data Exchange (ETDEWEB)

    Sklenicka, V.; Kucharova, K.; Svoboda, M.; Kroupa, A.; Kloc, L. [Academy of Sciences of the Czech Republic, Brno (Czech Republic). Inst. of Physics of Materials; Cmakal, J. [UJP PRAHA a.s., Praha-Zbraslav (Czech Republic)

    2010-07-01

    Creep behaviour and degradation of creep properties of creep resistant materials are phenomena of major practical relevance, often limiting the lives of components and structures designed to operate for long periods under stress at elevated and/or high temperatures. Since life expectancy is, in reality, based on the ability of the material to retain its high-temperature creep strength for the projected designed life, methods of creep properties assessment based on microstructural evolution in the material during creep rather than simple parametric extrapolation of short-term creep tests are necessary. In this paper we will try to further clarify the creep-strength degradation of selected advanced creep resistant steels. In order to accelerate some microstructural changes and thus to simulate degradation processes in long-term service, isothermal ageing at 650 C for 10 000 h was applied to P91 and P23 steels in their as-received states. The accelerated tensile creep tests were performed at temperature 600 C in argon atmosphere on all steels both in the as-received state and after long-term isothermal ageing, in an effort to obtain a more complete description of the role of microstructural stability in high temperature creep of these steels. Creep tests were followed by microstructural investigations by means of both transmission and scanning electron microscopy and by the thermodynamic calculations. The applicability of the accelerated creep tests was verified by the theoretical modelling of the phase equilibria at different temperatures. It is suggested that under restructed oxidation due to argon atmosphere microstructural instability is the main detrimental process in the long-term degradation of the creep rupture strength of these steels. (orig.)

  14. Parallel numerical modeling of hybrid-dimensional compositional non-isothermal Darcy flows in fractured porous media

    Science.gov (United States)

    Xing, F.; Masson, R.; Lopez, S.

    2017-09-01

    This paper introduces a new discrete fracture model accounting for non-isothermal compositional multiphase Darcy flows and complex networks of fractures with intersecting, immersed and non-immersed fractures. The so called hybrid-dimensional model using a 2D model in the fractures coupled with a 3D model in the matrix is first derived rigorously starting from the equi-dimensional matrix fracture model. Then, it is discretized using a fully implicit time integration combined with the Vertex Approximate Gradient (VAG) finite volume scheme which is adapted to polyhedral meshes and anisotropic heterogeneous media. The fully coupled systems are assembled and solved in parallel using the Single Program Multiple Data (SPMD) paradigm with one layer of ghost cells. This strategy allows for a local assembly of the discrete systems. An efficient preconditioner is implemented to solve the linear systems at each time step and each Newton type iteration of the simulation. The numerical efficiency of our approach is assessed on different meshes, fracture networks, and physical settings in terms of parallel scalability, nonlinear convergence and linear convergence.

  15. Analysis of isothermal and cooling-rate-dependent immersion freezing by a unifying stochastic ice nucleation model

    Science.gov (United States)

    Alpert, Peter A.; Knopf, Daniel A.

    2016-02-01

    Immersion freezing is an important ice nucleation pathway involved in the formation of cirrus and mixed-phase clouds. Laboratory immersion freezing experiments are necessary to determine the range in temperature, T, and relative humidity, RH, at which ice nucleation occurs and to quantify the associated nucleation kinetics. Typically, isothermal (applying a constant temperature) and cooling-rate-dependent immersion freezing experiments are conducted. In these experiments it is usually assumed that the droplets containing ice nucleating particles (INPs) all have the same INP surface area (ISA); however, the validity of this assumption or the impact it may have on analysis and interpretation of the experimental data is rarely questioned. Descriptions of ice active sites and variability of contact angles have been successfully formulated to describe ice nucleation experimental data in previous research; however, we consider the ability of a stochastic freezing model founded on classical nucleation theory to reproduce previous results and to explain experimental uncertainties and data scatter. A stochastic immersion freezing model based on first principles of statistics is presented, which accounts for variable ISA per droplet and uses parameters including the total number of droplets, Ntot, and the heterogeneous ice nucleation rate coefficient, Jhet(T). This model is applied to address if (i) a time and ISA-dependent stochastic immersion freezing process can explain laboratory immersion freezing data for different experimental methods and (ii) the assumption that all droplets contain identical ISA is a valid conjecture with subsequent consequences for analysis and interpretation of immersion freezing. The simple stochastic model can reproduce the observed time and surface area dependence in immersion freezing experiments for a variety of methods such as: droplets on a cold-stage exposed to air or surrounded by an oil matrix, wind and acoustically levitated droplets

  16. Analysis of isothermal and cooling-rate-dependent immersion freezing by a unifying stochastic ice nucleation model

    Directory of Open Access Journals (Sweden)

    P. A. Alpert

    2016-02-01

    Full Text Available Immersion freezing is an important ice nucleation pathway involved in the formation of cirrus and mixed-phase clouds. Laboratory immersion freezing experiments are necessary to determine the range in temperature, T, and relative humidity, RH, at which ice nucleation occurs and to quantify the associated nucleation kinetics. Typically, isothermal (applying a constant temperature and cooling-rate-dependent immersion freezing experiments are conducted. In these experiments it is usually assumed that the droplets containing ice nucleating particles (INPs all have the same INP surface area (ISA; however, the validity of this assumption or the impact it may have on analysis and interpretation of the experimental data is rarely questioned. Descriptions of ice active sites and variability of contact angles have been successfully formulated to describe ice nucleation experimental data in previous research; however, we consider the ability of a stochastic freezing model founded on classical nucleation theory to reproduce previous results and to explain experimental uncertainties and data scatter. A stochastic immersion freezing model based on first principles of statistics is presented, which accounts for variable ISA per droplet and uses parameters including the total number of droplets, Ntot, and the heterogeneous ice nucleation rate coefficient, Jhet(T. This model is applied to address if (i a time and ISA-dependent stochastic immersion freezing process can explain laboratory immersion freezing data for different experimental methods and (ii the assumption that all droplets contain identical ISA is a valid conjecture with subsequent consequences for analysis and interpretation of immersion freezing. The simple stochastic model can reproduce the observed time and surface area dependence in immersion freezing experiments for a variety of methods such as: droplets on a cold-stage exposed to air or surrounded by an oil matrix, wind and

  17. Applicability of the Linear Sorption Isotherm Model to Represent Contaminant Transport Processes in Site Wide Performance Assessments

    International Nuclear Information System (INIS)

    FOGWELL, T.W.; LAST, G.V.

    2003-01-01

    The estimation of flux of contaminants through the vadose zone to the groundwater under varying geologic, hydrologic, and chemical conditions is key to making technically credible and sound decisions regarding soil site characterization and remediation, single-shell tank retrieval, and waste site closures (DOE 2000). One of the principal needs identified in the science and technology roadmap (DOE 2000) is the need to improve the conceptual and numerical models that describe the location of contaminants today, and to provide the basis for forecasting future movement of contaminants on both site-specific and site-wide scales. The State of Knowledge (DOE 1999) and Preliminary Concepts documents describe the importance of geochemical processes on the transport of contaminants through the Vadose Zone. These processes have been identified in the international list of Features, Events, and Processes (FEPs) (NEA 2000) and included in the list of FEPS currently being developed for Hanford Site assessments (Soler et al. 2001). The current vision for Hanford site-wide cumulative risk assessments as performed using the System Assessment Capability (SAC) is to represent contaminant adsorption using the linear isotherm (empirical distribution coefficient, K d ) sorption model. Integration Project Expert Panel (PEP) comments indicate that work is required to adequately justify the applicability of the linear sorption model, and to identify and defend the range of K d values that are adopted for assessments. The work plans developed for the Science and Technology (S and T) efforts, SAC, and the Core Projects must answer directly the question of ''Is there a scientific basis for the application of the linear sorption isotherm model to the complex wastes of the Hanford Site?'' This paper is intended to address these issues. The reason that well documented justification is required for using the linear sorption (K d ) model is that this approach is strictly empirical and is often

  18. Numerical modelling of isothermal gas-liquid two-phase bubbly flow in vertical pipes

    International Nuclear Information System (INIS)

    Yamoah, S.

    2014-07-01

    In order to qualify CFD codes for accurate numerical predictions of transient evolution of flow regimes in a vertical gas-liquid two-phase flow, suitable closure models are needed. The current study focuses on detailed numerical investigation of the interfacial driving force models and assessment of two population balance model approaches viz. the MUltiple-Size-Group (MUSIG) and one-group Interfacial Area Transport Equation (lATE) using the two-fluid modelling approach. Numerical predictions of five primitive variables: gas volume fraction, interfacial area concentration, Sauter mean bubble diameter, gas velocity and liquid velocity; have been validated against experimental data of Monros et al., (2013). Three specific objectives have been completed in this study. Firstly, under the assumption of mono-disperse bubbles, a consistent set of interfacial force models have been investigated. The effect of drag, lift, wall lubrication and turbulent dispersion forces has been assessed. New parameters have been introduced in the wall lubrication force models of Antal et al., (1991) and Frank et al., (2004, 2008) as well as implementing additional drag coefficient models using CFX Expression Language (CEl). The Tomiyama, (1998) lift coefficient model has been modified in this study. In general, the predictions from the sets of interfacial force models yielded satisfactory agreement with the experimental data. A set of Grace drag coefficient model, Tomiyama lift coefficient model, Antal wall force model, and Favre averaged turbulent dispersion force were found to provide the best agreement with the experimental data. Secondly, a model validation study to assess the performance of existing coalescence and breakup models of the MUSIG model in simulating bubbly flow in vertical configuration has been conducted. The breakup model of Luo and Svendsen, (1996) and coalescence model of Prince and Blanch, (1990) have been implemented. Detailed analysis has been performed for the wall

  19. Sorption of organic compounds to activated carbons. Evaluation of isotherm models

    NARCIS (Netherlands)

    Pikaar, I.; Koelmans, A.A.; Noort, van P.C.M.

    2006-01-01

    Sorption to 'hard carbon' (black carbon, coal, kerogen) in soils and sediments is of major importance for risk assessment of organic pollutants. We argue that activated carbon (AC) may be considered a model sorbent for hard carbon. Here, we evaluate six sorption models on a literature dataset for

  20. A model for non-isothermal flow and mineral precipitation and dissolution in a thin strip

    NARCIS (Netherlands)

    Bringedal, C.; Berre, I.; Pop, I.S.; Radu, F.A.

    2015-01-01

    Sixth International Conference on Advanced Computational Methods in Engineering (ACOMEN 2014) Motivated by porosity changes due to chemical reactions caused by injection of cold water in a geothermal reservoir, we propose a two-dimensional pore scale model of a thin strip. The pore scale model

  1. Simulation and modeling of turbulent non isothermal vapor-droplet dispersed flow

    International Nuclear Information System (INIS)

    Baalbaki, Daoud

    2011-01-01

    One of the reference accident that may occur in PWR (Pressurized Water Reactor) is LOCA (Loss of Coolant Accident). The LOCA is studied to design some emergency systems implemented in the basic nuclear installations. The LOCA corresponds to the break of a pipe in the primary loop. This accident is associated with a loss of pressure which leads to the vaporization of the water in the reactor core and then to the rise of the temperature of the assemblies. In this study, we focus on the area of vapor-droplet flow, where the cooling effectiveness of such a mixture is a major concern. The droplets act as heat sinks for the vapor and control the vapor temperature profile which, in turn, determines the wall heat transfer rate. Our general objective is to ameliorate the modeling of the vapor-droplet flow (i.e. at CFD scale). Particularly the estimation of the radial distribution of the droplets. The volume fraction distribution of the two phases depends on the size and dispersion of the droplets in the flow. The size of the droplets is controlled by the rupture and coalescence mechanisms and the interfacial mass transfer (evaporation/condensation). The distribution of the droplets is controlled by the transfer of momentum between the two phases. Our study focuses particularly on the latter point. We are restricted to flows where the liquid water flows under the form of non-deformable spherical droplets that do not interact with each other. Both phases are treated by a two-fluid approach Euler-Euler. In chapter 2, a description of two-phase flow model is presented, using separate mass, momentum, and energy equations for the two phases. These separate balance equations are obtained in an averaging process starting from the local instantaneous conservation equations of the individual phases. During the averaging process, important information on local flow processes are lost and, consequently, additional correlations are needed in order to close the system of equations. The

  2. Analytic solutions to linear, time-dependent fission product deposition models for isothermal laminar, slug, or multiregion flow conditions

    International Nuclear Information System (INIS)

    Durkee, J.W. Jr.

    1983-01-01

    The time-dependent convective-diffusion equation with radioactive decay is solved analytically in axisymmetric cylindrical geometry for laminar and slug velocity profiles under isothermal conditions. Concentration dependent diffusion is neglected. The laminar flow solution is derived using the method of separation of variables and Frobenius' technique for constructing a series expansion about a regular singular point. The slug flow multiregion solution is obtained using the method of separation of variables. The Davidon Variable Metric Minimization algorithm is used to compute the coupling coefficients. These solutions, which describe the transport of fission products in a flowing stream, are then used to determine the concentration of radioactive material deposited on a conduit wall using a standard mass transfer model. Fission product deposition measurements for five diffusion tubes in a Fort St. Vrain High-Temperature Gas-Cooled reactor plateout probe are analyzed. Using single region slug and laminar models, the wall mass transfer coefficients, diffusion coefficients, and inlet concentrations are determined using least squares analysis. The diffusion coefficients and inlet concentrations are consistent between tubes. The derived diffusion coefficients and wall mass transfer coefficients are in relative agreement with known literature values

  3. Validation of the Jarzynski relation for a system with strong thermal coupling: an isothermal ideal gas model.

    Science.gov (United States)

    Baule, A; Evans, R M L; Olmsted, P D

    2006-12-01

    We revisit the paradigm of an ideal gas under isothermal conditions. A moving piston performs work on an ideal gas in a container that is strongly coupled to a heat reservoir. The thermal coupling is modeled by stochastic scattering at the boundaries. In contrast to recent studies of an adiabatic ideal gas with a piston [R.C. Lua and A.Y. Grosberg, J. Phys. Chem. B 109, 6805 (2005); I. Bena, Europhys. Lett. 71, 879 (2005)], the container and piston stay in contact with the heat bath during the work process. Under this condition the heat reservoir as well as the system depend on the work parameter lambda and microscopic reversibility is broken for a moving piston. Our model is thus not included in the class of systems for which the nonequilibrium work theorem has been derived rigorously either by Hamiltonian [C. Jarzynski, J. Stat. Mech. (2004) P09005] or stochastic methods [G.E. Crooks, J. Stat. Phys. 90, 1481 (1998)]. Nevertheless the validity of the nonequilibrium work theorem is confirmed both numerically for a wide range of parameter values and analytically in the limit of a very fast moving piston, i.e., in the far nonequilibrium regime.

  4. An empirical approach for quantifying loop-mediated isothermal amplification (LAMP using Escherichia coli as a model system.

    Directory of Open Access Journals (Sweden)

    Sowmya Subramanian

    Full Text Available Loop mediated isothermal amplification (LAMP is a highly efficient, selective and rapid DNA amplification technique for genetic screening of pathogens. However, despite its popularity, there is yet no mathematical model to quantify the outcome and no well-defined metric for comparing results that are available. LAMP is intrinsically complex and involves multiple pathways for gene replication, making fundamental modelling nearly intractable. To circumvent this difficulty, an alternate, empirical model is introduced that will allow one to extract a set of parameters from the concentration versus time curves. A simple recipe to deduce the time to positive, Tp--a parameter analogous to the threshold cycling time in polymerase chain reaction (PCR, is also provided. These parameters can be regarded as objective and unambiguous indicators of LAMP amplification. The model is exemplified on Escherichia coli strains by using the two gene fragments responsible for vero-toxin (VT production and tested against VT-producing (O157 and O45 and non-VT producing (DH5 alpha strains. Selective amplification of appropriate target sequences was made using well established LAMP primers and protocols, and the concentrations of the amplicons were measured using a Qubit 2.0 fluorometer at specific intervals of time. The data is fitted to a generalized logistic function. Apart from providing precise screening indicators, representing the data with a small set of numbers offers significant advantages. It facilitates comparisons of LAMP reactions independently of the sampling technique. It also eliminates subjectivity in interpretation, simplifies data analysis, and allows easy data archival, retrieval and statistical analysis for large sample populations. To our knowledge this work represents a first attempt to quantitatively model LAMP and offer a standard method that could pave the way towards high throughput automated screening.

  5. Adsorption of homogeneous catalysts over functionalized silica adsorbents: Modelling of the competitive adsorption isotherms

    NARCIS (Netherlands)

    Djekic, T.; van der Ham, Aloysius G.J.; Bosch, H.; de Haan, A.B.

    2007-01-01

    The reverse flow adsorption (RFA) was proposed as a novel concept for the recovery of homogeneous catalysts. For the modelling of the RFA process it is important to have a good description of the adsorption of various complex species present in the solution. Therefore the goal of this paper is to

  6. Adsorption of homogeneous catalysts over functionalized silica adsorbents : modelling of the competitive adsorption isotherms

    NARCIS (Netherlands)

    Djekic, T.; Ham, van der A.G.J.; Bosch, Hans; Haan, de A.B.

    2007-01-01

    The reverse flow adsorption (RFA) was proposed as a novel concept for the recovery of homogeneous catalysts. For the modelling of the RFA process it is important to have a good description of the adsorption of various complex species present in the solution. Therefore the goal of this paper is to

  7. Modeling chromatographic columns. Non-equilibrium packed-bed adsorption with non-linear adsorption isotherms

    NARCIS (Netherlands)

    Özdural, A.R.; Alkan, A.; Kerkhof, P.J.A.M.

    2004-01-01

    In this work a new mathematical model, based on non-equilibrium conditions, describing the dynamic adsorption of proteins in columns packed with spherical adsorbent particles is used to study the performance of chromatographic systems. Simulations of frontal chromatography, including axial

  8. Numerical modeling of isothermal and nonisothermal flow in unsaturated fractured rock: A review

    International Nuclear Information System (INIS)

    Pruess, K.; Wang, J.S.Y.

    1986-01-01

    The tuff formations at and near the Nevada Test Site are comprised of fractured-porous material, with hydrologic properties quite different from those encountered in most previous unsaturated flow studies dealing with soils. In the vicinity of the waste packages, flow is driven by high temperatures (exceeding 100 0 C) and large temperature gradients. The approximations developed in soil science for weakly nonisothermal flow are not applicable to this situation, and a multiphase description of flow is required, similar to approaches used in modeling of geothermal reservoirs and thermally enhance oil recovery. The conventional approach to unsaturated flow is applicable, however, to a variety of problems relating to natural (undisturbed) and far-field flow conditions. This paper reviews recent work on numerical modeling of unsaturated flow undertaken in the context of nuclear waste isolation studies. Concepts and applications of broader interest are summarized, and important issues are identified that have not been adequately explored. 84 refs, 8 figs

  9. Isothermal model investigation of fume extraction systems for the scrap burner at Appleby Frodingham

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, D.

    1976-08-01

    Model tests have been made on three suggested schemes for improving the efficiency of fume collection on the scrap burning installation in the Anchor BOS plant at Appleby Frodingham. In particular the usefulness of air curtains as a means of containing the fume has been examined. CO/sub 2/ tracer measurements, and photographs using smoke for visualization have allowed the assessment of the collection efficiencies of the three schemes, and some alterative solutions have been investigated using similar methods. (GRA)

  10. Isothermal CO2 Gasification Reactivity and Kinetic Models of Biomass Char/Anthracite Char

    Directory of Open Access Journals (Sweden)

    Hai-Bin Zuo

    2015-07-01

    Full Text Available Gasification of four biomass chars and anthracite char were investigated under a CO2 atmosphere using a thermo-gravimetric analyzer. Reactivity differences of chars were considered in terms of pyrolysis temperature, char types, crystallinity, and inherent minerals. The results show that the gasification reactivity of char decreased with the increase of pyrolysis temperature. Char gasification reactivity followed the order of anthracite coal char (AC-char ˂ pine sawdust char (PS-char ˂ peanut hull char (PH-char ˂ wheat straw char (WS-char ˂ corncob char (CB-char under the same pyrolysis temperature. Two repesentative gas-solid models, the random pore model (RPM and the modified random pore model (MRPM, were applied to describe the reactive behaviour of chars. The results indicate RPM performs well to describe gasification rates of chars but cannot predict the phenomenon that there appears to exist a peak conversion for biomass chars at a high conversion rate, where the MRPM performs better.

  11. A Non-Isothermal Chemical Lattice Boltzmann Model Incorporating Thermal Reaction Kinetics and Enthalpy Changes

    Directory of Open Access Journals (Sweden)

    Stuart Bartlett

    2017-08-01

    Full Text Available The lattice Boltzmann method is an efficient computational fluid dynamics technique that can accurately model a broad range of complex systems. As well as single-phase fluids, it can simulate thermohydrodynamic systems and passive scalar advection. In recent years, it also gained attention as a means of simulating chemical phenomena, as interest in self-organization processes increased. This paper will present a widely-used and versatile lattice Boltzmann model that can simultaneously incorporate fluid dynamics, heat transfer, buoyancy-driven convection, passive scalar advection, chemical reactions and enthalpy changes. All of these effects interact in a physically accurate framework that is simple to code and readily parallelizable. As well as a complete description of the model equations, several example systems will be presented in order to demonstrate the accuracy and versatility of the method. New simulations, which analyzed the effect of a reversible reaction on the transport properties of a convecting fluid, will also be described in detail. This extra chemical degree of freedom was utilized by the system to augment its net heat flux. The numerical method outlined in this paper can be readily deployed for a vast range of complex flow problems, spanning a variety of scientific disciplines.

  12. Modelling and Simulation of Structural Deformation of Isothermal Subsurface Flow and Carbon Dioxide Injection

    KAUST Repository

    El-Amin, Mohamed

    2011-05-15

    Injection of CO2 in hydrocarbon reservoir has double benefit. On the one hand, it is a profitable method due to issues related to global warming, and on the other hand it is an effective mechanism to enhance hydrocarbon recovery. Such injection associates complex processes involving, e.g., solute transport of dissolved materials, in addition to local changes in density of the phases. Also, increasing carbon dioxide injection may cause a structural deformation of the medium, so it is important to include such effect into the model. The structural deformation modelling in carbon sequestration is important to evaluate the medium stability to avoid CO2 leakage to the atmosphere. On the other hand, geologic formation of the medium is usually heterogeneous and consists of several layers of different permeability. In this work we conduct numerical simulation of two-phase flow in a heterogeneous porous medium domain with dissolved solute transport as well as structural deformation effects. The solute transport of the dissolved component is described by concentration equation. The structural deformation for geomechanics is derived from a general local differential balance equation with neglecting the local mass balance of solid phase and the inertial force term. The flux continuity condition is used at interfaces between different permeability layers of the heterogeneous medium. We analyze the vertical migration of a CO2 plume injected into a 2D layered reservoir. Analysis of distribution of flow field components such as saturation, pressures, velocities, and CO2 concentration are presented.

  13. A three-dimensional non-isothermal model for a membraneless direct methanol redox fuel cell

    Science.gov (United States)

    Wei, Lin; Yuan, Xianxia; Jiang, Fangming

    2018-05-01

    In the membraneless direct methanol redox fuel cell (DMRFC), three-dimensional electrodes contribute to the reduction of methanol crossover and the open separator design lowers the system cost and extends its service life. In order to better understand the mechanisms of this configuration and further optimize its performance, the development of a three-dimensional numerical model is reported in this work. The governing equations of the multi-physics field are solved based on computational fluid dynamics methodology, and the influence of the CO2 gas is taken into consideration through the effective diffusivities. The numerical results are in good agreement with experimental data, and the deviation observed for cases of large current density may be related to the single-phase assumption made. The three-dimensional electrode is found to be effective in controlling methanol crossover in its multi-layer structure, while it also increases the flow resistance for the discharging products. It is found that the current density distribution is affected by both the electronic conductivity and the concentration of reactants, and the temperature rise can be primarily attributed to the current density distribution. The sensitivity and reliability of the model are analyzed through the investigation of the effects of cell parameters, including porosity values of gas diffusion layers and catalyst layers, methanol concentration and CO2 volume fraction, on the polarization characteristics.

  14. Direct detection of WIMPs: implications of a self-consistent truncated isothermal model of the Milky Way's dark matter halo

    Science.gov (United States)

    Chaudhury, Soumini; Bhattacharjee, Pijushpani; Cowsik, Ramanath

    2010-09-01

    Direct detection of Weakly Interacting Massive Particle (WIMP) candidates of Dark Matter (DM) is studied within the context of a self-consistent truncated isothermal model of the finite-size dark halo of the Galaxy. The halo model, based on the ``King model'' of the phase space distribution function of collisionless DM particles, takes into account the modifications of the phase-space structure of the halo due to the gravitational influence of the observed visible matter in a self-consistent manner. The parameters of the halo model are determined by a fit to a recently determined circular rotation curve of the Galaxy that extends up to ~ 60 kpc. Unlike in the Standard Halo Model (SHM) customarily used in the analysis of the results of WIMP direct detection experiments, the velocity distribution of the WIMPs in our model is non-Maxwellian with a cut-off at a maximum velocity that is self-consistently determined by the model itself. For our halo model that provides the best fit to the rotation curve data, the 90% C.L. upper limit on the WIMP-nucleon spin-independent cross section from the recent results of the CDMS-II experiment, for example, is ~ 5.3 × 10-8 pb at a WIMP mass of ~ 71 GeV. We also find, using the original 2-bin annual modulation amplitude data on the nuclear recoil event rate seen in the DAMA experiment, that there exists a range of small WIMP masses, typically ~ 2-16 GeV, within which DAMA collaboration's claimed annual modulation signal purportedly due to WIMPs is compatible with the null results of other experiments. These results, based as they are on a self-consistent model of the dark matter halo of the Galaxy, strengthen the possibility of low-mass (lsim10 GeV) WIMPs as a candidate for dark matter as indicated by several earlier studies performed within the context of the SHM. A more rigorous analysis using DAMA bins over smaller intervals should be able to better constrain the ``DAMA regions'' in the WIMP parameter space within the context of

  15. Is the non-isothermal double β-model incompatible with no time evolution of galaxy cluster gas mass fraction?

    Science.gov (United States)

    Holanda, R. F. L.

    2018-05-01

    In this paper, we propose a new method to obtain the depletion factor γ(z), the ratio by which the measured baryon fraction in galaxy clusters is depleted with respect to the universal mean. We use exclusively galaxy cluster data, namely, X-ray gas mass fraction (fgas) and angular diameter distance measurements from Sunyaev-Zel'dovich effect plus X-ray observations. The galaxy clusters are the same in both data set and the non-isothermal spherical double β-model was used to describe their electron density and temperature profiles. In order to compare our results with those from recent cosmological hydrodynamical simulations, we suppose a possible time evolution for γ(z), such as, γ(z) =γ0(1 +γ1 z) . As main conclusions we found that: the γ0 value is in full agreement with the simulations. On the other hand, although the γ1 value found in our analysis is compatible with γ1 = 0 within 2σ c.l., our results show a non-negligible time evolution for the depletion factor, unlike the results of the simulations. However, we also put constraints on γ(z) by using the fgas measurements and angular diameter distances obtained from the flat ΛCDM model (Planck results) and from a sample of galaxy clusters described by an elliptical profile. For these cases no significant time evolution for γ(z) was found. Then, if a constant depletion factor is an inherent characteristic of these structures, our results show that the spherical double β-model used to describe the galaxy clusters considered does not affect the quality of their fgas measurements.

  16. A facilitated diffusion model constrained by the probability isotherm: a pedagogical exercise in intuitive non-equilibrium thermodynamics.

    Science.gov (United States)

    Chapman, Brian

    2017-06-01

    This paper seeks to develop a more thermodynamically sound pedagogy for students of biological transport than is currently available from either of the competing schools of linear non-equilibrium thermodynamics (LNET) or Michaelis-Menten kinetics (MMK). To this end, a minimal model of facilitated diffusion was constructed comprising four reversible steps: cis- substrate binding, cis → trans bound enzyme shuttling, trans -substrate dissociation and trans → cis free enzyme shuttling. All model parameters were subject to the second law constraint of the probability isotherm, which determined the unidirectional and net rates for each step and for the overall reaction through the law of mass action. Rapid equilibration scenarios require sensitive 'tuning' of the thermodynamic binding parameters to the equilibrium substrate concentration. All non-equilibrium scenarios show sigmoidal force-flux relations, with only a minority of cases having their quasi -linear portions close to equilibrium. Few cases fulfil the expectations of MMK relating reaction rates to enzyme saturation. This new approach illuminates and extends the concept of rate-limiting steps by focusing on the free energy dissipation associated with each reaction step and thereby deducing its respective relative chemical impedance. The crucial importance of an enzyme's being thermodynamically 'tuned' to its particular task, dependent on the cis- and trans- substrate concentrations with which it deals, is consistent with the occurrence of numerous isoforms for enzymes that transport a given substrate in physiologically different circumstances. This approach to kinetic modelling, being aligned with neither MMK nor LNET, is best described as intuitive non-equilibrium thermodynamics, and is recommended as a useful adjunct to the design and interpretation of experiments in biotransport.

  17. Room temperature isotherms for Mo and Ni

    International Nuclear Information System (INIS)

    Masse, J.L.

    1986-11-01

    Isotherms at room temperature for Mo and Ni are proposed. They are of three types: BIRCH, KEANE and BORN-MIE. The adjustable constants appearing in these isotherms have been determined from experimental quantities at zero pressure. An evaluation of the limit of (δB T /δP) T as P #-> # ∞, where B T is the isothermal bulk modulus, has been also used. These three isotherms obtained for Mo and Ni are compared with isotherms derived from shock-wave data according to the PRIETO's model. There is a good agreement between these and these derived from shock-wave data. The three isotherms proposed for Mo and Ni can be considered as valid until pressures of several B To , where B To is the bulk modulus B T at P = o [fr

  18. MATHEMATICAL MODEL NON-ISOTHERMAL FLOW HIGHLY VISCOUS MEDIA CHANNELS MATRIX EXTRUDER

    Directory of Open Access Journals (Sweden)

    A. S. Sidorenko

    2015-01-01

    Full Text Available We consider a one-dimensional steady flow of highly viscous medium in a cylindrical channel with Dissipation and dependence of the viscosity on the temperature. It is assumed that a relatively small intervals of temperature variation of the dynamic viscosity with a sufficient degree of accuracy can be assumed to be linear. The model was based on the equations of hydrodynamics and the heat transfer fluid. In the task channel wall temperature is assumed constant. An approximate solution of the problem, according to which the distribution of velocity, pressure and temperature is sought in the form of an expansion in powers of the dimensionless transverse coordinates. A special case, when the ratio of the velocity distribution, pressure and temperature is allowed to restrict the number of terms in the expansion as follows: for speed - the first 3 to the pressure - the first two for the temperature - the first 5. The expressions to determine the temperature profile of the medium in the channel and characterization dissipative heating. To simulate the process of heat transfer highly viscous media developed a program for personal electronic computers. The calculation was performed using experimental research data melt flow grain mixture of buckwheat and soybeans for the load speed of 0.08 mm / s. The method of computer simulation carried out checks on the adequacy of the solutions to the real process of heat transfer. Analysis of the results indicates that for small values of the length of the channel influence dissipation function appears mainly at the wall. By increasing the reduced length of this phenomenon applies to all section of the channel. At high temperature profile along the channel length is determined entirely by dissipation. In the case of heat transfer due to frictional heat only, the form of curves of temperature distribution is a consequence of the interaction effects of heating due to viscous shear effects cooling by conduction. The

  19. Isothermal structural relaxation of Fe40Ni40B20 metallic glass in the relaxation times spectrum model

    NARCIS (Netherlands)

    Csach, K; Haruyama, O; Kasardova, A; Ocelik, Vaclav

    1997-01-01

    The structural relaxation of amorphous as-quenched Fe40Ni40B20 sample was investigated during isothermal annealing at temperatures close to 400 degrees C by: (i) the residual electrical resistance measured at liquid N-2 temperature; (ii) the in-situ electrical resistance; and (iii) the length

  20. Dual continuum models of fully coupled non-isothermal multiphase flow and reactive transport in porous media

    International Nuclear Information System (INIS)

    Zheng, L.; Samper, J.

    2005-01-01

    Full text of publication follows: Double porosity, double permeability and dual continuum models (DCM) are widely used for modeling preferential water flow and mass transport in unsaturated and fractured media. Here we present a DCM of fully coupled non-isothermal multiphase flow and reactive transport model for the FEBEX compacted bentonite, a material which exhibits a double porosity behavior.. FEBEX (Full-scale Engineered Barrier EXperiment) is a demonstration and research project dealing with the bentonite engineered barrier designed for sealing and containment of a high level radioactive waste repository. Our DCM considers inter-aggregate macro-pores, and intra-aggregate and interlayer micro-pores. Two types of DCMs are tested: the dual continuum connected matrix (DCCM) and the dual continuum dis connected matrix (DCDM). Liquid flow in macro-pores is described with a mass conservation equation accounting for Darcian flow, chemical and thermal osmosis. In DCCM, water flux in micropores is calculated with a modified Darcy's law by adding a chemical osmosis term. A simple mass balance equation is used for DCDM which contains a storage and a water exchange term for water in micropores. A mixed type of water exchange term is adopted which includes a second order term accounting for water transfer due to the difference in liquid pressure and a first order term accounting for the gradient in chemical osmosis pressure. Equations of mass conservation for liquid, gas and heat in macro-pores and liquid mass conservation in micropores are solved by using a Newton-Raphson method. Two transport equations with a coupling interaction term are used to describe solute transport in macro- and micro-pores. The coupling term contains a first order diffusion term and a convection term (solute exchange due to water exchange). Transport equations as well as chemical reactions in the two domains are solved by means of a sequential iteration method. All these feature have been

  1. KINETIC MODELING AND ISOTHERM STUDIES ON A BATCH REMOVAL OF ACID RED 114 BY AN ACTIVATED PLANT BIOMASS

    Directory of Open Access Journals (Sweden)

    N. RAJAMOHAN

    2013-12-01

    Full Text Available In this paper, the dye Acid Red 114(AR 114 was removed from aqueous solutions using Acid-Activated Eichornia Crassipes (AAEC under batch conditions. The optimum conditions for AR 114 removal were found to be pH 1.5, adsorbent dosage = 1.25 g/L of solution and equilibrium time = 3 h. The equilibrium data were evaluated for compliance with Langmuir, Freundlich and Temkin isotherms and Langmuir isotherm was found to fit well. The maximum sorption capacity was estimated as 112.34 mg/g of adsorbent. Also, adsorption kinetics of the dye was studied and the rates of sorption were found to follow pseudo-second order kinetics with good correlation (R2 ≥ 0.997.The kinetic study at different temperatures revealed that the sorption was an endothermic process. The activation energy of the sorption process was estimated as 9.722 kJ/mol.

  2. A new accurate quadratic equation model for isothermal gas chromatography and its comparison with the linear model

    Science.gov (United States)

    Wu, Liejun; Chen, Maoxue; Chen, Yongli; Li, Qing X.

    2013-01-01

    The gas holdup time (tM) is a dominant parameter in gas chromatographic retention models. The difference equation (DE) model proposed by Wu et al. (J. Chromatogr. A 2012, http://dx.doi.org/10.1016/j.chroma.2012.07.077) excluded tM. In the present paper, we propose that the relationship between the adjusted retention time tRZ′ and carbon number z of n-alkanes follows a quadratic equation (QE) when an accurate tM is obtained. This QE model is the same as or better than the DE model for an accurate expression of the retention behavior of n-alkanes and model applications. The QE model covers a larger range of n-alkanes with better curve fittings than the linear model. The accuracy of the QE model was approximately 2–6 times better than the DE model and 18–540 times better than the LE model. Standard deviations of the QE model were approximately 2–3 times smaller than those of the DE model. PMID:22989489

  3. Multi-gas interaction modeling on decorated semiconductor interfaces: A novel Fermi distribution-based response isotherm and the inverse hard/soft acid/base concept

    Energy Technology Data Exchange (ETDEWEB)

    Laminack, William [Department of Physics, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Gole, James, E-mail: James.Gole@physics.gatech.edu [Department of Physics, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Department of Mechanical Engineering, Georgia Tech, Atlanta, GA 30332 (United States)

    2015-12-30

    Graphical abstract: Visual representation of the PS interface interacting with mixed gas configurations. The red dots correspond to nanostructured metal oxides. Each combination of distinct molecules are labeled below the pores, which are oversized in the figure. - Highlights: • First study of mixed gas analytes interacting with a micro-porous silicon substrate. • Responses are represented by a newly developed response absorption isotherm. • This isotherm is modeled on the basis of the Fermi distribution function. • The developing IHSAB concept explains multi-gas analyte–analyte interactions. - Abstract: A unique MEMS/NEMS approach is presented for the modeling of a detection platform for mixed gas interactions. Mixed gas analytes interact with nanostructured decorating metal oxide island sites supported on a microporous silicon substrate. The Inverse Hard/Soft acid/base (IHSAB) concept is used to assess a diversity of conductometric responses for mixed gas interactions as a function of these nanostructured metal oxides. The analyte conductometric responses are well represented using a combination diffusion/absorption-based model for multi-gas interactions where a newly developed response absorption isotherm, based on the Fermi distribution function is applied. A further coupling of this model with the IHSAB concept describes the considerations in modeling of multi-gas mixed analyte–interface, and analyte–analyte interactions. Taking into account the molecular electronic interaction of both the analytes with each other and an extrinsic semiconductor interface we demonstrate how the presence of one gas can enhance or diminish the reversible interaction of a second gas with the extrinsic semiconductor interface. These concepts demonstrate important considerations in the array-based formats for multi-gas sensing and its applications.

  4. Understand rotating isothermal collapses yet

    International Nuclear Information System (INIS)

    Tohline, J.E.

    1985-01-01

    A scalar virial equation is used to describe the dynamic properties of equilibrium gas clouds, taking into account the relative effects of surface pressure, rotation, self gravity and internal isothermal pressure. Details concerning the internal structure of the clouds are ignored in order to obtain a globalized analytical expression. The obtained solution to the equation is found to agree with the surface-pressure-dominated model of Stahler (1983), and the rotation-dominated model of Hayashi, Narita, and Miyama (1982). On the basis of the analytical expression of virial equilibrium in the clouds, some of the limiting properties of isothermal clouds are described, and a realistic starting model for cloud collapse is proposed. 18 references

  5. Generalized isothermic lattices

    International Nuclear Information System (INIS)

    Doliwa, Adam

    2007-01-01

    We study multi-dimensional quadrilateral lattices satisfying simultaneously two integrable constraints: a quadratic constraint and the projective Moutard constraint. When the lattice is two dimensional and the quadric under consideration is the Moebius sphere one obtains, after the stereographic projection, the discrete isothermic surfaces defined by Bobenko and Pinkall by an algebraic constraint imposed on the (complex) cross-ratio of the circular lattice. We derive the analogous condition for our generalized isothermic lattices using Steiner's projective structure of conics, and we present basic geometric constructions which encode integrability of the lattice. In particular, we introduce the Darboux transformation of the generalized isothermic lattice and we derive the corresponding Bianchi permutability principle. Finally, we study two-dimensional generalized isothermic lattices, in particular geometry of their initial boundary value problem

  6. Heavy Metal Adsorption onto Kappaphycus sp. from Aqueous Solutions: The Use of Error Functions for Validation of Isotherm and Kinetics Models.

    Science.gov (United States)

    Rahman, Md Sayedur; Sathasivam, Kathiresan V

    2015-01-01

    Biosorption process is a promising technology for the removal of heavy metals from industrial wastes and effluents using low-cost and effective biosorbents. In the present study, adsorption of Pb(2+), Cu(2+), Fe(2+), and Zn(2+) onto dried biomass of red seaweed Kappaphycus sp. was investigated as a function of pH, contact time, initial metal ion concentration, and temperature. The experimental data were evaluated by four isotherm models (Langmuir, Freundlich, Temkin, and Dubinin-Radushkevich) and four kinetic models (pseudo-first-order, pseudo-second-order, Elovich, and intraparticle diffusion models). The adsorption process was feasible, spontaneous, and endothermic in nature. Functional groups in the biomass involved in metal adsorption process were revealed as carboxylic and sulfonic acids and sulfonate by Fourier transform infrared analysis. A total of nine error functions were applied to validate the models. We strongly suggest the analysis of error functions for validating adsorption isotherm and kinetic models using linear methods. The present work shows that the red seaweed Kappaphycus sp. can be used as a potentially low-cost biosorbent for the removal of heavy metal ions from aqueous solutions. Further study is warranted to evaluate its feasibility for the removal of heavy metals from the real environment.

  7. Testing isotherm models and recovering empirical relationships for adsorption in microporous carbons using virtual carbon models and grand canonical Monte Carlo simulations

    International Nuclear Information System (INIS)

    Terzyk, Artur P; Furmaniak, Sylwester; Gauden, Piotr A; Harris, Peter J F; Wloch, Jerzy

    2008-01-01

    Using the plausible model of activated carbon proposed by Harris and co-workers and grand canonical Monte Carlo simulations, we study the applicability of standard methods for describing adsorption data on microporous carbons widely used in adsorption science. Two carbon structures are studied, one with a small distribution of micropores in the range up to 1 nm, and the other with micropores covering a wide range of porosity. For both structures, adsorption isotherms of noble gases (from Ne to Xe), carbon tetrachloride and benzene are simulated. The data obtained are considered in terms of Dubinin-Radushkevich plots. Moreover, for benzene and carbon tetrachloride the temperature invariance of the characteristic curve is also studied. We show that using simulated data some empirical relationships obtained from experiment can be successfully recovered. Next we test the applicability of Dubinin's related models including the Dubinin-Izotova, Dubinin-Radushkevich-Stoeckli, and Jaroniec-Choma equations. The results obtained demonstrate the limits and applications of the models studied in the field of carbon porosity characterization

  8. An attempt to model the probability of growth and aflatoxin B1 production of Aspergillus flavus under non-isothermal conditions in pistachio nuts.

    Science.gov (United States)

    Aldars-García, Laila; Ramos, Antonio J; Sanchis, Vicente; Marín, Sonia

    2015-10-01

    Human exposure to aflatoxins in foods is of great concern. The aim of this work was to use predictive mycology as a strategy to mitigate the aflatoxin burden in pistachio nuts postharvest. The probability of growth and aflatoxin B1 (AFB1) production of aflatoxigenic Aspergillus flavus, isolated from pistachio nuts, under static and non-isothermal conditions was studied. Four theoretical temperature scenarios, including temperature levels observed in pistachio nuts during shipping and storage, were used. Two types of inoculum were included: a cocktail of 25 A. flavus isolates and a single isolate inoculum. Initial water activity was adjusted to 0.87. Logistic models, with temperature and time as explanatory variables, were fitted to the probability of growth and AFB1 production under a constant temperature. Subsequently, they were used to predict probabilities under non-isothermal scenarios, with levels of concordance from 90 to 100% in most of the cases. Furthermore, the presence of AFB1 in pistachio nuts could be correctly predicted in 70-81 % of the cases from a growth model developed in pistachio nuts, and in 67-81% of the cases from an AFB1 model developed in pistachio agar. The information obtained in the present work could be used by producers and processors to predict the time for AFB1 production by A. flavus on pistachio nuts during transport and storage. Copyright © 2015 Elsevier Ltd. All rights reserved.

  9. Isothermal Martensite Formation

    DEFF Research Database (Denmark)

    Villa, Matteo

    Isothermal (i.e. time dependent) martensite formation in steel was first observed in the 40ies of the XXth century and is still treated as an anomaly in the description of martensite formation which is considered as a-thermal (i.e. independent of time). Recently, the clarification of the mechanism...... of lattice strains provided fundamental information on the state of stress in the material and clarified the role of the strain energy on martensite formation. Electron backscatter diffraction revealed that the microstructure of the material and the morphology of martensite were independent on the cooling...... leading to isothermal kinetics acquired new practical relevance because of the identification of isothermal martensite formation as the most likely process responsible for enhanced performances of sub-zero Celsius treated high carbon steel products. In the present work, different iron based alloys...

  10. Adiabatic and isothermal resistivities

    International Nuclear Information System (INIS)

    Fishman, R.S.

    1989-01-01

    The force-balance method is used to calculate the isothermal resistivity to first order in the electric field. To lowest order in the impurity potential, the isothermal resistivity disagrees with the adiabatic results of the Kubo formula and the Boltzmann equation. However, an expansion of the isothermal resistivity in powers of the impurity potential is divergent, with two sets of divergent terms. The first set arises from the density matrix of the relative electron-phonon system. The second set arises from the explicit dependence of the density matrix on the electric field, which was ignored by force-balance calculations. These divergent contributions are calculated inductively, by applying a recursion relation for the Green's functions. Using the λ 2 t→∞ limit of van Hove, I show that the resummation of these divergent terms yields the same result for the resistivity as the adiabatic calculations, in direct analogy with the work of Argyres and Sigel, and Huberman and Chester

  11. Mathematical Modeling of the Thermal State of an Isothermal Element with Account of the Radiant Heat Transfer Between Parts of a Spacecraft

    Science.gov (United States)

    Alifanov, O. M.; Paleshkin, A. V.; Terent‧ev, V. V.; Firsyuk, S. O.

    2016-01-01

    A methodological approach to determination of the thermal state at a point on the surface of an isothermal element of a small spacecraft has been developed. A mathematical model of heat transfer between surfaces of intricate geometric configuration has been described. In this model, account was taken of the external field of radiant fluxes and of the differentiated mutual influence of the surfaces. An algorithm for calculation of the distribution of the density of the radiation absorbed by surface elements of the object under study has been proposed. The temperature field on the lateral surface of the spacecraft exposed to sunlight and on its shady side has been calculated. By determining the thermal state of magnetic controls of the orientation system as an example, the authors have assessed the contribution of the radiation coming from the solar-cell panels and from the spacecraft surface.

  12. Differences in the adsorption behaviour of poly(ethylene oxide) copolymers onto model polystyrene nanoparticles assessed by isothermal titration microcalorimetry correspond to the biological differences.

    Science.gov (United States)

    Stolnik, S; Heald, C R; Garnett, M G; Illum, L; Davis, S S

    2005-01-01

    The adsorption behaviour of a tetrafunctional copolymer of poly (ethylene oxide)-poly (propylene oxide) ethylene diamine (commercially available as Poloxamine 908) and a diblock copolymer of poly (lactic acid)-poly (ethylene oxide) (PLA/PEG 2:5) onto a model colloidal drug carrier (156 nm sized polystyrene latex) is described. The adsorption isotherm, hydrodynamic thickness of the adsorbed layers and enthalpy of the adsorption were assessed. The close similarity in the conformation of the poly (ethylene oxide) (PEO) chains (molecular weight 5,000 Da) in the adsorbed layers of these two copolymers was demonstrated by combining the adsorption data with the adsorbed layer thickness data. In contrast, the results from isothermal titration microcalorimetry indicated a distinct difference in the interaction of the copolymers with the polystyrene colloid surface. Poloxamine 908 adsorption to polystyrene nanoparticles is dominated by an endothermic heat effect, whereas, PLA/PEG 2:5 adsorption is entirely an exothermic process. This difference in adsorption behaviour could provide an explanation for differences in the biodistribution of Poloxamine 908 and PLA/PEG 2:5 coated polystyrene nanoparticles observed in previous studies. A comparison with the interaction enthalpy for several other PEO-containing copolymers onto the same polystyrene colloid was made. The results demonstrate the importance of the nature of the anchoring moiety on the interaction of the adsorbing copolymer with the colloid surface. An endothermic contribution is found when an adsorbing molecule contains a poly (propylene oxide) (PPO) moiety (e.g. Poloxamine 908), whilst the adsorption is exothermic (i.e. enthalpy driven) for PEO copolymers with polylactide (PLA/PEG 2:5) or alkyl moieties.

  13. Difference equation model for isothermal gas chromatography expresses retention behavior of homologues of n-alkanes excluding the influence of holdup time

    Science.gov (United States)

    Wu, Liejun; Chen, Yongli; Caccamise, Sarah A.L.; Li, Qing X.

    2012-01-01

    A difference equation (DE) model is developed using the methylene retention increment (Δtz) of n-alkanes to avoid the influence of gas holdup time (tM). The effects of the equation orders (1st–5th) on the accuracy of a curve fitting show that a linear equation (LE) is less satisfactory and it is not necessary to use a complicated cubic or higher order equation. The relationship between the logarithm of Δtz and the carbon number (z) of the n-alkanes under isothermal conditions closely follows the quadratic equation for C3–C30 n-alkanes at column temperatures of 24–260 °C. The first and second order forward differences of the expression (Δlog Δtz and Δ2log Δtz, respectively) are linear and constant, respectively, which validates the DE model. This DE model lays a necessary foundation for further developing a retention model to accurately describe the relationship between the adjusted retention time and z of n-alkanes. PMID:22939376

  14. Multi-gas interaction modeling on decorated semiconductor interfaces: A novel Fermi distribution-based response isotherm and the inverse hard/soft acid/base concept

    Science.gov (United States)

    Laminack, William; Gole, James

    2015-12-01

    A unique MEMS/NEMS approach is presented for the modeling of a detection platform for mixed gas interactions. Mixed gas analytes interact with nanostructured decorating metal oxide island sites supported on a microporous silicon substrate. The Inverse Hard/Soft acid/base (IHSAB) concept is used to assess a diversity of conductometric responses for mixed gas interactions as a function of these nanostructured metal oxides. The analyte conductometric responses are well represented using a combination diffusion/absorption-based model for multi-gas interactions where a newly developed response absorption isotherm, based on the Fermi distribution function is applied. A further coupling of this model with the IHSAB concept describes the considerations in modeling of multi-gas mixed analyte-interface, and analyte-analyte interactions. Taking into account the molecular electronic interaction of both the analytes with each other and an extrinsic semiconductor interface we demonstrate how the presence of one gas can enhance or diminish the reversible interaction of a second gas with the extrinsic semiconductor interface. These concepts demonstrate important considerations in the array-based formats for multi-gas sensing and its applications.

  15. Mathematical modeling of growth of Salmonella in raw ground beef under isothermal conditions from 10 to 45 Degree C

    Science.gov (United States)

    The objective of this study was to develop primary and secondary models to describe the growth of Salmonella in raw ground beef. Primary and secondary models can be integrated into a dynamic model that can predict the microbial growth under varying environmental conditions. Growth data of Salmonel...

  16. Adsorption isotherms and kinetics for dibenzothiophene on activated

    Indian Academy of Sciences (India)

    Adsorption isotherms were obtained and desulphurization kinetics were carried out on solutions of dibenzothiophene (DBT) and thiophene in a model fuel. The efficiencies of DBT and thiophene removal were reported. The adsorption isotherms fitted the Langmuir and Freundlich models. The highest adsorption capacity for ...

  17. Multi-step cure kinetic model of ultra-thin glass fiber epoxy prepreg exhibiting both autocatalytic and diffusion-controlled regimes under isothermal and dynamic-heating conditions

    Science.gov (United States)

    Kim, Ye Chan; Min, Hyunsung; Hong, Sungyong; Wang, Mei; Sun, Hanna; Park, In-Kyung; Choi, Hyouk Ryeol; Koo, Ja Choon; Moon, Hyungpil; Kim, Kwang J.; Suhr, Jonghwan; Nam, Jae-Do

    2017-08-01

    As packaging technologies are demanded that reduce the assembly area of substrate, thin composite laminate substrates require the utmost high performance in such material properties as the coefficient of thermal expansion (CTE), and stiffness. Accordingly, thermosetting resin systems, which consist of multiple fillers, monomers and/or catalysts in thermoset-based glass fiber prepregs, are extremely complicated and closely associated with rheological properties, which depend on the temperature cycles for cure. For the process control of these complex systems, it is usually required to obtain a reliable kinetic model that could be used for the complex thermal cycles, which usually includes both the isothermal and dynamic-heating segments. In this study, an ultra-thin prepreg with highly loaded silica beads and glass fibers in the epoxy/amine resin system was investigated as a model system by isothermal/dynamic heating experiments. The maximum degree of cure was obtained as a function of temperature. The curing kinetics of the model prepreg system exhibited a multi-step reaction and a limited conversion as a function of isothermal curing temperatures, which are often observed in epoxy cure system because of the rate-determining diffusion of polymer chain growth. The modified kinetic equation accurately described the isothermal behavior and the beginning of the dynamic-heating behavior by integrating the obtained maximum degree of cure into the kinetic model development.

  18. Determination of thermodynamic potentials and the aggregation number for micelles with the mass-action model by isothermal titration calorimetry

    DEFF Research Database (Denmark)

    Olesen, Niels Erik; Westh, Peter; Holm, René

    2015-01-01

    of micelles with ITC were compared to a mass-action model (MAM) of reaction type: n⋅S⇌Mn. This analysis can provide guidelines for future ITC studies of systems behaving in accordance with this model such as micelles and proteins that undergo self-association to oligomers. Micelles with small aggregation...

  19. Entropy stable modeling of non-isothermal multi-component diffuse-interface two-phase flows with realistic equations of state

    KAUST Repository

    Kou, Jisheng; Sun, Shuyu

    2018-01-01

    In this paper, we consider mathematical modeling and numerical simulation of non-isothermal compressible multi-component diffuse-interface two-phase flows with realistic equations of state. A general model with general reference velocity is derived rigorously through thermodynamical laws and Onsager's reciprocal principle, and it is capable of characterizing compressibility and partial miscibility between multiple fluids. We prove a novel relation among the pressure, temperature and chemical potentials, which results in a new formulation of the momentum conservation equation indicating that the gradients of chemical potentials and temperature become the primary driving force of the fluid motion except for the external forces. A key challenge in numerical simulation is to develop entropy stable numerical schemes preserving the laws of thermodynamics. Based on the convex-concave splitting of Helmholtz free energy density with respect to molar densities and temperature, we propose an entropy stable numerical method, which solves the total energy balance equation directly, and thus, naturally satisfies the first law of thermodynamics. Unconditional entropy stability (the second law of thermodynamics) of the proposed method is proved by estimating the variations of Helmholtz free energy and kinetic energy with time steps. Numerical results validate the proposed method.

  20. Entropy stable modeling of non-isothermal multi-component diffuse-interface two-phase flows with realistic equations of state

    KAUST Repository

    Kou, Jisheng

    2018-02-25

    In this paper, we consider mathematical modeling and numerical simulation of non-isothermal compressible multi-component diffuse-interface two-phase flows with realistic equations of state. A general model with general reference velocity is derived rigorously through thermodynamical laws and Onsager\\'s reciprocal principle, and it is capable of characterizing compressibility and partial miscibility between multiple fluids. We prove a novel relation among the pressure, temperature and chemical potentials, which results in a new formulation of the momentum conservation equation indicating that the gradients of chemical potentials and temperature become the primary driving force of the fluid motion except for the external forces. A key challenge in numerical simulation is to develop entropy stable numerical schemes preserving the laws of thermodynamics. Based on the convex-concave splitting of Helmholtz free energy density with respect to molar densities and temperature, we propose an entropy stable numerical method, which solves the total energy balance equation directly, and thus, naturally satisfies the first law of thermodynamics. Unconditional entropy stability (the second law of thermodynamics) of the proposed method is proved by estimating the variations of Helmholtz free energy and kinetic energy with time steps. Numerical results validate the proposed method.

  1. Isotherm and kinetics study of malachite green adsorption onto copper nanowires loaded on activated carbon: artificial neural network modeling and genetic algorithm optimization.

    Science.gov (United States)

    Ghaedi, M; Shojaeipour, E; Ghaedi, A M; Sahraei, Reza

    2015-05-05

    In this study, copper nanowires loaded on activated carbon (Cu-NWs-AC) was used as novel efficient adsorbent for the removal of malachite green (MG) from aqueous solution. This new material was synthesized through simple protocol and its surface properties such as surface area, pore volume and functional groups were characterized with different techniques such XRD, BET and FESEM analysis. The relation between removal percentages with variables such as solution pH, adsorbent dosage (0.005, 0.01, 0.015, 0.02 and 0.1g), contact time (1-40min) and initial MG concentration (5, 10, 20, 70 and 100mg/L) was investigated and optimized. A three-layer artificial neural network (ANN) model was utilized to predict the malachite green dye removal (%) by Cu-NWs-AC following conduction of 248 experiments. When the training of the ANN was performed, the parameters of ANN model were as follows: linear transfer function (purelin) at output layer, Levenberg-Marquardt algorithm (LMA), and a tangent sigmoid transfer function (tansig) at the hidden layer with 11 neurons. The minimum mean squared error (MSE) of 0.0017 and coefficient of determination (R(2)) of 0.9658 were found for prediction and modeling of dye removal using testing data set. A good agreement between experimental data and predicted data using the ANN model was obtained. Fitting the experimental data on previously optimized condition confirm the suitability of Langmuir isotherm models for their explanation with maximum adsorption capacity of 434.8mg/g at 25°C. Kinetic studies at various adsorbent mass and initial MG concentration show that the MG maximum removal percentage was achieved within 20min. The adsorption of MG follows the pseudo-second-order with a combination of intraparticle diffusion model. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Thermodynamic modeling of Cl(-), NO3(-) and SO4(2-) removal by an anion exchange resin and comparison with Dubinin-Astakhov isotherms.

    Science.gov (United States)

    Dron, Julien; Dodi, Alain

    2011-03-15

    The removal of chloride, nitrate, and sulfate ions from wastewaters by a macroporous ion-exchange resin is studied through the experimental results obtained for six ion exchange systems, OH(-)/Cl(-), OH(-)/NO3(-), OH(-)/SO4(2-), and HCO3(-)/Cl(-), Cl(-)/NO3(-), Cl(-)/SO4(2-). The results are described through thermodynamic modeling, considering either an ideal or a nonideal behavior of the ionic species in the liquid and solid phases. The nonidealities are determined by the Davies equation and Wilson equations in the liquid and solid phases, respectively. The results show that the resin has a strong affinity for all the target ions, and the order of affinity obtained is OH(-) < HCO3(-) < Cl(-) < NO3(-) < SO4(2-). The calculation of the changes in standard Gibbs free energies (ΔG(0)) shows that even though HCO3(-) has a lower affinity to the resin, it may affect the removal of Cl(-), and in the same way that Cl(-) may affect the removal of NO3(-) and SO4(2-). The application of nonidealities in the thermodynamic model leads to an improved fit of the model to the experimental data with average relative deviations below 1.5% except for the OH(-)/SO4(2-) system. On the other hand, considering ideal or nonideal behaviors has no significant impact on the determination of the selectivity coefficients. The thermodynamic modeling is also compared with the Dubinin-Astakhov adsorption isotherms obtained for the same ion exchange systems. Surprisingly, the latter performs significantly better than the ideal thermodynamic model and nearly as well as the nonideal thermodynamic model.

  3. Benchmarking of thermalhydraulic loop models for lead-alloy-cooled advanced nuclear energy systems. Phase I: Isothermal forced convection case

    International Nuclear Information System (INIS)

    2012-06-01

    Under the auspices of the NEA Nuclear Science Committee (NSC), the Working Party on Scientific Issues of the Fuel Cycle (WPFC) has been established to co-ordinate scientific activities regarding various existing and advanced nuclear fuel cycles, including advanced reactor systems, associated chemistry and flowsheets, development and performance of fuel and materials and accelerators and spallation targets. The WPFC has different expert groups to cover a wide range of scientific issues in the field of nuclear fuel cycle. The Task Force on Lead-Alloy-Cooled Advanced Nuclear Energy Systems (LACANES) was created in 2006 to study thermal-hydraulic characteristics of heavy liquid metal coolant loop. The objectives of the task force are to (1) validate thermal-hydraulic loop models for application to LACANES design analysis in participating organisations, by benchmarking with a set of well-characterised lead-alloy coolant loop test data, (2) establish guidelines for quantifying thermal-hydraulic modelling parameters related to friction and heat transfer by lead-alloy coolant and (3) identify specific issues, either in modelling and/or in loop testing, which need to be addressed via possible future work. Nine participants from seven different institutes participated in the first phase of the benchmark. This report provides details of the benchmark specifications, method and code characteristics and results of the preliminary study: pressure loss coefficient and Phase-I. A comparison and analysis of the results will be performed together with Phase-II

  4. Lunar ash flows - Isothermal approximation.

    Science.gov (United States)

    Pai, S. I.; Hsieh, T.; O'Keefe, J. A.

    1972-01-01

    Suggestion of the ash flow mechanism as one of the major processes required to account for some features of lunar soil. First the observational background and the gardening hypothesis are reviewed, and the shortcomings of the gardening hypothesis are shown. Then a general description of the lunar ash flow is given, and a simple mathematical model of the isothermal lunar ash flow is worked out with numerical examples to show the differences between the lunar and the terrestrial ash flow. The important parameters of the ash flow process are isolated and analyzed. It appears that the lunar surface layer in the maria is not a residual mantle rock (regolith) but a series of ash flows due, at least in part, to great meteorite impacts. The possibility of a volcanic contribution is not excluded. Some further analytic research on lunar ash flows is recommended.

  5. Biosorption optimization of lead(II), cadmium(II) and copper(II) using response surface methodology and applicability in isotherms and thermodynamics modeling

    International Nuclear Information System (INIS)

    Singh, Rajesh; Chadetrik, Rout; Kumar, Rajender; Bishnoi, Kiran; Bhatia, Divya; Kumar, Anil; Bishnoi, Narsi R.; Singh, Namita

    2010-01-01

    The present study was carried out to optimize the various environmental conditions for biosorption of Pb(II), Cd(II) and Cu(II) by investigating as a function of the initial metal ion concentration, temperature, biosorbent loading and pH using Trichoderma viride as adsorbent. Biosorption of ions from aqueous solution was optimized in a batch system using response surface methodology. The values of R 2 0.9716, 0.9699 and 0.9982 for Pb(II), Cd(II) and Cu(II) ions, respectively, indicated the validity of the model. The thermodynamic properties ΔG o , ΔH o , ΔE o and ΔS o by the metal ions for biosorption were analyzed using the equilibrium constant value obtained from experimental data at different temperatures. The results showed that biosorption of Pb(II) ions by T. viride adsorbent is more endothermic and spontaneous. The study was attempted to offer a better understating of representative biosorption isotherms and thermodynamics with special focuses on binding mechanism for biosorption using the FTIR spectroscopy.

  6. Interaction of Soybean 7S Globulin Peptide with Cell Membrane Model via Isothermal Titration Calorimetry, Quartz Crystal Microbalance with Dissipation, and Langmuir Monolayer Study.

    Science.gov (United States)

    Zou, Yuan; Pan, Runting; Ruan, Qijun; Wan, Zhili; Guo, Jian; Yang, Xiaoquan

    2018-05-16

    To understand the underlying molecular mechanism of the cholesterol-lowering effect of soybean 7S globulins, the interactions of their pepsin-released peptides (7S-peptides) with cell membrane models consisting of dipalmitoylphosphatidylcholine (DPPC), dioleoylphosphatidylcholine (DOPC), and cholesterol (CHOL) were systematically studied. The results showed that 7S-peptides were bound to DPPC/DOPC/CHOL liposomes mainly through van der Waals forces and hydrogen bonds, and the presence of higher CHOL concentrations enhanced the binding affinity (e.g., DPPC/DOPC/CHOL = 1:1:0, binding ratio = 0.114; DPPC/DOPC/CHOL = 1:1:1, binding ratio = 2.02). Compression isotherms indicated that the incorporation of 7S-peptides increased the DPPC/DOPC/CHOL monolayer fluidity and the lipid raft size. The presence of CHOL accelerated the 7S-peptide accumulation on lipid rafts, which could serve as platforms for peptides to develop into β-sheet rich structures. These results allow us to hypothesize that 7S-peptides may indirectly influence membrane protein functions via altering the membrane organization in the enterocytes.

  7. Biosorption optimization of lead(II), cadmium(II) and copper(II) using response surface methodology and applicability in isotherms and thermodynamics modeling

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Rajesh; Chadetrik, Rout; Kumar, Rajender; Bishnoi, Kiran; Bhatia, Divya; Kumar, Anil [Department of Environmental Science and Engineering, Guru Jambheshwar University of Science and Technology, Hisar 125001, Haryana (India); Bishnoi, Narsi R., E-mail: nrbishnoi@gmail.com [Department of Environmental Science and Engineering, Guru Jambheshwar University of Science and Technology, Hisar 125001, Haryana (India); Singh, Namita [Department of Bio and Nanotechnology, Guru Jambheshwar University of Science and Technology, Hisar 125001, Haryana (India)

    2010-02-15

    The present study was carried out to optimize the various environmental conditions for biosorption of Pb(II), Cd(II) and Cu(II) by investigating as a function of the initial metal ion concentration, temperature, biosorbent loading and pH using Trichoderma viride as adsorbent. Biosorption of ions from aqueous solution was optimized in a batch system using response surface methodology. The values of R{sup 2} 0.9716, 0.9699 and 0.9982 for Pb(II), Cd(II) and Cu(II) ions, respectively, indicated the validity of the model. The thermodynamic properties {Delta}G{sup o}, {Delta}H{sup o}, {Delta}E{sup o} and {Delta}S{sup o} by the metal ions for biosorption were analyzed using the equilibrium constant value obtained from experimental data at different temperatures. The results showed that biosorption of Pb(II) ions by T. viride adsorbent is more endothermic and spontaneous. The study was attempted to offer a better understating of representative biosorption isotherms and thermodynamics with special focuses on binding mechanism for biosorption using the FTIR spectroscopy.

  8. Challenging and improving conceptual models for isothermal flow in unsaturated, fractured rock through exploration of small-scale processes

    International Nuclear Information System (INIS)

    Glass, R.J.; Nicholl, M.J.; Tidwell, V.C.

    1996-01-01

    Over the past several years, the authors have performed experimental studies focused on understanding small-scale flow processes within discrete fractures and individual matrix blocks; much of the understanding gained in that time differs from that underlying the basic assumptions used in effective media representations. Here they synthesize the process level understanding gained from their laboratory studies to explore how such small-scale processes may influence the behavior of fluid flow in fracture networks and ensembles of matrix blocks at levels sufficient to impact the formulation of intermediate-scale effective media properties. They also explore, by means of a thought experiment, how these same small-scale processes could couple to produce a large-scale system response inconsistent with current conceptual models based on continuum representations of flow through unsaturated, fractured rock. Based on their findings, a number of modifications to existing dual permeability models are suggested that should allow them improved applicability; however, even with these modifications, it is likely that continuum representations of flow through unsaturated fractured rock will have limited validity and must therefore be applied with caution

  9. An updated model for nitrate uptake modelling in plants. I. Functional component: cross-combination of flow–force interpretation of nitrate uptake isotherms, and environmental and in planta regulation of nitrate influx

    Science.gov (United States)

    Le Deunff, Erwan; Malagoli, Philippe

    2014-01-01

    Background and Aims In spite of major breakthroughs in the last three decades in the identification of root nitrate uptake transporters in plants and the associated regulation of nitrate transport activities, a simplified and operational modelling approach for nitrate uptake is still lacking. This is due mainly to the difficulty in linking the various regulations of nitrate transport that act at different levels of time and on different spatial scales. Methods A cross-combination of a Flow–Force approach applied to nitrate influx isotherms and experimentally determined environmental and in planta regulation is used to model nitrate in oilseed rape, Brassica napus. In contrast to ‘Enzyme–Substrate’ interpretations, a Flow–Force modelling approach considers the root as a single catalytic structure and does not infer hypothetical cellular processes among nitrate transporter activities across cellular layers in the mature roots. In addition, this approach accounts for the driving force on ion transport based on the gradient of electrochemical potential, which is more appropriate from a thermodynamic viewpoint. Key Results and Conclusions Use of a Flow–Force formalism on nitrate influx isotherms leads to the development of a new conceptual mechanistic basis to model more accurately N uptake by a winter oilseed rape crop under field conditions during the whole growth cycle. This forms the functional component of a proposed new structure–function mechanistic model of N uptake. PMID:24638820

  10. Flow of magnetic particles in blood with isothermal heating: A fractional model for two-phase flow

    Science.gov (United States)

    Ali, Farhad; Imtiaz, Anees; Khan, Ilyas; Sheikh, Nadeem Ahmad

    2018-06-01

    In the sixteenth century, medical specialists were of the conclusion that magnet can be utilized for the treatment or wipe out the illnesses from the body. On this basis, the research on magnet advances day by day for the treatment of different types of diseases in mankind. This study aims to investigate the effect of magnetic field and their applications in human body specifically in blood. Blood is a non-Newtonian fluid because its viscosity depends strongly on the fraction of volume occupied by red cells also called the hematocrit. Therefore, in this paper blood is considered as an example of non-Newtonian Casson fluid. The blood flow is considered in a vertical cylinder together with heat transfer due to mixed conviction caused by buoyancy force and the external pressure gradient. Effect of magnetic field on the velocities of blood and magnetic particles is also considered. The problem is modelled using the Caputo-Fabrizio derivative approach. The governing fractional partial differential equations are solved using Laplace and Hankel transformation techniques and exact solutions are obtained. Effects of different parameters such as Grashof number, Prandtl number, Casson fluid parameter and fractional parameters, and magnetic field are shown graphically. Both velocity profiles increase with the increase of Grashoff number and Casson fluid parameter and reduce with the increase of magnetic field.

  11. Isothermal, kinetic and thermodynamic studies on basic dye sorption ...

    African Journals Online (AJOL)

    PRECIOUS

    2009-12-15

    Dec 15, 2009 ... The isothermal data correlated with the Langmuir model better than the. Freundlich model. ... there were two intra-particle diffusion steps in the dye sorption processes. .... rated monolayer of sorbate molecule on the sorbent.

  12. A loop-mediated isothermal amplification (LAMP assay for early detection of Schistosoma mansoni in stool samples: a diagnostic approach in a murine model.

    Directory of Open Access Journals (Sweden)

    Pedro Fernández-Soto

    2014-09-01

    Full Text Available Human schistosomiasis, mainly due to Schistosoma mansoni species, is one of the most prevalent parasitic diseases worldwide. To overcome the drawbacks of classical parasitological and serological methods in detecting S. mansoni infections, especially in acute stage of the disease, development of cost-effective, simple and rapid molecular methods is still needed for the diagnosis of schistosomiasis. A promising approach is the loop-mediated isothermal amplification (LAMP technology. Compared to PCR-based assays, LAMP has the advantages of reaction simplicity, rapidity, specificity, cost-effectiveness and higher amplification efficiency. Additionally, as results can be inspected by the naked eye, the technique has great potential for use in low-income countries.A sequence corresponding to a mitochondrial S. mansoni minisatellite DNA region was selected as a target for designing a LAMP-based method to detect S. mansoni DNA in stool samples. We used a S. mansoni murine model to obtain well defined stool and sera samples from infected mice with S. mansoni cercariae. Samples were taken weekly from week 0 to 8 post-infection and the Kato-Katz and ELISA techniques were used for monitoring the infection. Primer set designed were tested using a commercial reaction mixture for LAMP assay and an in house mixture to compare results. Specificity of LAMP was tested using 16 DNA samples from different parasites, including several Schistosoma species, and no cross-reactions were found. The detection limit of our LAMP assay (SmMIT-LAMP was 1 fg of S. mansoni DNA. When testing stool samples from infected mice the SmMIT-LAMP detected S. mansoni DNA as soon as 1 week post-infection.We have developed, for the first time, a cost-effective, easy to perform, specific and sensitive LAMP assay for early detection of S. mansoni in stool samples. The method is potentially and readily adaptable for field diagnosis and disease surveillance in schistosomiasis-endemic areas.

  13. A two-dimensional, transient, compressible isothermal and two-phase model for the air-side electrode of PEM fuel cells

    International Nuclear Information System (INIS)

    Khakbaz Baboli, M.; Kermani, M.J.

    2008-01-01

    A two-dimensional, transient, compressible, isothermal and two-phase flow of reactant-product mixture in the air-side electrode of proton exchange membrane fuel cells (PEMFC) are numerically studied in the present paper. The mixture is composed of four species: oxygen, nitrogen, liquid water and water vapor. The governing PDE's are conservation of the water vapor and oxygen species, momentum equation of the mixture (gas+liquid), mass conservation of the liquid phase, and mass conservation of the mixture. In this study, a separate PDE for the mass conservation of the liquid water is solved to calculate the saturation levels. The capillary pressure was used to determine the slip velocity between the phases. A full compressible form of the momentum equation was used, with the ∇.V preserved in the equation. The Maxwell-Stefan equation was used to model the diffusive fluxes of the multi-component gas mixture. The strongly coupled equations are solved based on a recently developed finite volume SIMPLER scheme of S.V. Patankar, Numerical Heat Transfer and Fluid Flow, Hemisphere Publishing Corp., McGraw-Hill Book Company, 1984. The computational domain consists of two regions; an open area (gas delivery channel) linked to a porous gas diffusion layer (GDL). A single (unified) set of the PDE's are used for the whole domain with the corresponding properties of each sub-domain. A polarization curve for the whole spectrum of the dry and wet regions were obtained. The results were compared with the experiments of E.A. Ticianelli, C.R. Derouin, A. Redondo, S. Srinivasan, J. Electrochem. Soc. 135 (1988) 2209, and good agreements were achieved

  14. Modeling of the non isothermal and non isobaric transformations kinetics. Application to the kaolinite de-hydroxylation and to the tri-uranium octo-oxide reduction by hydrogen; Modelisation de la cinetique de transformations non isothermes et (ou) non isobares. Application a la deshydroxylation de la kaolinite et a la reduction de l'octooxyde de triuranium par l'hydrogene

    Energy Technology Data Exchange (ETDEWEB)

    Perrin, St

    2002-12-15

    The aim of this work is to be able to describe transformations, occurring when solids and gases are in non isothermal and non isobaric conditions, with kinetic models. A methodology has been used. Two essential processes have to be taken into account: the germination and the growth. The germs are supposed to be formed (at constant temperature and pressure) in the grains surface with a constant velocity by surface unit, (gamma), called germination surface frequency (number of germs.m{sup -2}.s{sup -1}. The growth velocity is characterized by a growth surface reactivity, (phi) (in mol.m{sup -2}.s{sup -1}). With an appropriate transformation model, it is possible to obtain the variations of (gamma) and (phi) in terms of the temperature and pressure which are then used in the calculation of the velocity in non isothermal and non isobaric conditions. In order to validate the developed method, two reactions have been studied. For the first one, the kaolinite de-hydroxylation, an anisotropic germination-growth model, where the step limiting the growth is a diffusion step, has been developed in order to explain the experimental kinetic curves. Nevertheless the velocity curves calculated from this model do not allow to describe the reaction for some temperature variations. This result shows the difficulty to precisely determine the germination surface frequency what induces an important approximation on the kinetic curves. The second reaction is the tri-uranium octo-oxide reduction by hydrogen. It has been shown that this reaction occurs according to three successive transformations. A kinetic model has been developed for each of these reactions considering germination as instantaneous. At last, in comparing this model with the experimental velocity curves, a very good agreement has been verified as well as for a temperature variation than for a hydrogen partial pressure change during the reaction. (O.M.)

  15. Moisture sorption isotherms of dehydrated whey proteins

    OpenAIRE

    Suzana Rimac Brnčić; Vesna Lelas; Zoran Herceg; Marija Badanjak

    2010-01-01

    Moisture sorption isotherms describe the relation between the moisture content of the dry material (food) and relative humidity of the surrounding environment. The data obtained are important in modelling of drying process conditions, packaging and shelf-life stability of food that will provide maximum retaining of aroma, colour and texture as well as nutritive and biological value. The objective of this research was to establish the equilibrium moisture content and water activity, as well as...

  16. The Stellar IMF from Isothermal MHD Turbulence

    Science.gov (United States)

    Haugbølle, Troels; Padoan, Paolo; Nordlund, Åke

    2018-02-01

    We address the turbulent fragmentation scenario for the origin of the stellar initial mass function (IMF), using a large set of numerical simulations of randomly driven supersonic MHD turbulence. The turbulent fragmentation model successfully predicts the main features of the observed stellar IMF assuming an isothermal equation of state without any stellar feedback. As a test of the model, we focus on the case of a magnetized isothermal gas, neglecting stellar feedback, while pursuing a large dynamic range in both space and timescales covering the full spectrum of stellar masses from brown dwarfs to massive stars. Our simulations represent a generic 4 pc region within a typical Galactic molecular cloud, with a mass of 3000 M ⊙ and an rms velocity 10 times the isothermal sound speed and 5 times the average Alfvén velocity, in agreement with observations. We achieve a maximum resolution of 50 au and a maximum duration of star formation of 4.0 Myr, forming up to a thousand sink particles whose mass distribution closely matches the observed stellar IMF. A large set of medium-size simulations is used to test the sink particle algorithm, while larger simulations are used to test the numerical convergence of the IMF and the dependence of the IMF turnover on physical parameters predicted by the turbulent fragmentation model. We find a clear trend toward numerical convergence and strong support for the model predictions, including the initial time evolution of the IMF. We conclude that the physics of isothermal MHD turbulence is sufficient to explain the origin of the IMF.

  17. ISOTHERMAL AIR INGRESS VALIDATION EXPERIMENTS

    Energy Technology Data Exchange (ETDEWEB)

    Chang H Oh; Eung S Kim

    2011-09-01

    Idaho National Laboratory carried out air ingress experiments as part of validating computational fluid dynamics (CFD) calculations. An isothermal test loop was designed and set to understand the stratified-flow phenomenon, which is important as the initial air flow into the lower plenum of the very high temperature gas cooled reactor (VHTR) when a large break loss-of-coolant accident occurs. The unique flow characteristics were focused on the VHTR air-ingress accident, in particular, the flow visualization of the stratified flow in the inlet pipe to the vessel lower plenum of the General Atomic’s Gas Turbine-Modular Helium Reactor (GT-MHR). Brine and sucrose were used as heavy fluids, and water was used to represent a light fluid, which mimics a counter current flow due to the density difference between the stimulant fluids. The density ratios were changed between 0.87 and 0.98. This experiment clearly showed that a stratified flow between simulant fluids was established even for very small density differences. The CFD calculations were compared with experimental data. A grid sensitivity study on CFD models was also performed using the Richardson extrapolation and the grid convergence index method for the numerical accuracy of CFD calculations . As a result, the calculated current speed showed very good agreement with the experimental data, indicating that the current CFD methods are suitable for predicting density gradient stratified flow phenomena in the air-ingress accident.

  18. Adsorption isotherms of pear at several temperatures

    Directory of Open Access Journals (Sweden)

    Mitrevski Vangelče

    2015-01-01

    Full Text Available The moisture adsorption isotherms of pear were determined at 15ºC, 30ºC and 45ºC using the standard static gravimetric method over a range of water activity from 0.112 to 0.920. The experimental data were fitted with isotherm equations recommended in ASAE Standard D245.5. In order to find which equation gives the best results, large number of numerical experiments were performed. After that, several statistical criteria proposed in scientific literature for estimation and selection of the best sorption isotherm equations were used. For each equation and experimental data set, the average performance index was calculated and models were ranked afterwards. After that, some statistical rejection criteria were checked (D’Agostino-Pearson test of normality, single-sample run test and significance and precision of the model parameters. The performed statistical analysis shows that the Guggenheim-Anderson-de Boer (GAB equation has the highest value of average performance index, but higher correlation between pair of parameters leads to lower precision of estimated parameters.[Projekat Ministarstva nauke Republike Srbije, br. TR 31058

  19. PENENTUAN WAKTU KADALUARSA DAN MODEL SORPSI ISOTERMIS BIJI DAN BUBUK LADA HITAM (Piper ningrum L. [Shelf Life Prediction and Isotherm Sorption Model of Dried Grain and Powdered Black Pepper (Piper ningrum L.

    Directory of Open Access Journals (Sweden)

    Erika Diah2

    2005-04-01

    Full Text Available Black pepper is one of the most popular spice traded around the globe, either in dried grain form or in bulky powder. However, for retailing purpose both are usually packaged in plastic film. This research was conducted to predict the shelf life of packaged black pepper (both dried grain and powder by applying isotherm sorption and Labuza models. Initial moisture content of dried grain was 12.17 % d.b and for the powder was 10.27 % d.b. The shelf life of black pepper calculated for the dried grain was longer than the powder. When stored at 90 % RH, the dried grain black pepper packaged in HDPE demonstrated the longest shelf life which was equal to 2187 days and for the powder equal to 2037 days. The volatile oil loss for dried grain black pepper after 30 days of preservation was 1.36 % and for the powder was 40.82%.

  20. Nonlinear chemical sorption isotherms in the assessment of nuclear fuel waste disposal

    International Nuclear Information System (INIS)

    Walker, J.R.; LeNeveu, D.M.

    1987-01-01

    Radionuclides emplaced in an underground disposal vault can possibly migrate from the vault, and through the geosphere, to enter Man's environment. Chemical sorption is a primary mechanism for retarding this migration. The effects of nonlinear chemical sorption isotherms on radionuclide transport are discussed. A method is given by which nonlinear isotherms can be approximated by the linear sorption isotherm used in the vault submodel. The relevance of nonlinear isotherms to transport in the geosphere is discussed, and it is shown that the linear isotherm model is conservative for deep geologic disposal. 22 refs

  1. A Poromechanical Model for Coal Seams Injected with Carbon Dioxide: From an Isotherm of Adsorption to a Swelling of the Reservoir Un modéle poromécanique pour l’injection de dioxyde de carbone dans des veines de charbon : d’une isotherme d’adsorption à un gonflement du réservoir

    Directory of Open Access Journals (Sweden)

    Nikoosokhan S.

    2012-11-01

    Full Text Available Injecting carbon dioxide into deep unminable coal seams can enhance the amount of methane recovered from the seam. This process is known as CO2-Enhanced Coal Bed Methane production (CO2-ECBM. The seam is a porous medium whose porous system is made of cleats (small natural fractures and of coal pores (whose radius can be as small as a few angström. During the injection process, the molecules of CO2 get adsorbed in the coal pores. Such an adsorption makes the coal swell, which, in the confined conditions that prevail underground, induces a closure of the cleat system of the coal bed reservoir and a loss of injectivity. In this work, we develop a poromechanical model which, starting from the knowledge of an adsorption isotherm and combined with reservoir simulations, enables to estimate the variations of injectivity of the coal bed reservoir over time during the process of injection. The model for the coal bed reservoir is based on poromechanical equations that explicitly take into account the effect of adsorption on the mechanical behavior of a microporous medium. We consider the coal bed reservoir as a dual porosity (cleats and coal porosity medium, for which we derive a set of linear constitutive equations. The model requires as an input the adsorption isotherm on coal of the fluid considered. Reversely, the model provides a way to upscale an adsorption isotherm into a meaningful swelling of the coal bed reservoir at the macroscopic scale. The parameters of the model are calibrated on data on coal samples available in the literature. Reservoir simulations of an injection of carbon dioxide in a coal seam are performed with an in-house finite volume and element code. The variations of injection rate over time during the process of injection are obtained from the simulations. The effect of the compressibility of the coal matrix on those variations is discussed. L’injection de dioxyde de carbone dans des veines de charbon profondes peut augmenter

  2. Improved Isotherm Data for Adsorption of Methane on Activated Carbons

    KAUST Repository

    Loh, Wai Soong

    2010-08-12

    This article presents the adsorption isotherms of methane onto two different types of activated carbons, namely, Maxsorb III and ACF (A-20) at temperatures from (5 to 75) °C and pressures up to 2.5 MPa. The volumetric technique has been employed to measure the adsorption isotherms. The experimental results presented herein demonstrate the improved accuracy of the uptake values compared with previous measurement techniques for similar adsorbate-adsorbent combinations. The results are analyzed with various adsorption isotherm models. The heat of adsorption, which is concentration and temperature dependent, has been calculated from the measured isotherm data. Henry\\'s law coefficients for these adsorbent-methane pairs are also evaluated at various temperatures. © 2010 American Chemical Society.

  3. An Isothermal Steam Expander for an Industrial Steam Supplying System

    Directory of Open Access Journals (Sweden)

    Chen-Kuang Lin

    2015-01-01

    Full Text Available Steam is an essential medium used in the industrial process. To ensure steam quality, small and middle scale boilers are often adopted. However, because a higher steam pressure (compared to the necessary steam pressure is generated, the boiler’s steam pressure will be reduced via a pressure regulator before the steam is directed through the process. Unfortunately, pressure is somewhat wasted during the reducing process. Therefore, in order to promote energy efficiency, a pressure regulator is replaced by a steam expander. With this steam expander, the pressure will be transformed into mechanical energy and extracted during the expansion process. A new type of isothermal steam expander for an industrial steam supplying system will be presented in the paper. The isothermal steam expander will improve the energy efficiency of a traditional steam expander by replacing the isentropic process with an isothermal expansion process. With this, steam condensation will decrease, energy will increase, and steam quality will be improved. Moreover, the mathematical model of the isothermal steam expander will be established by using the Schmidt theory, the same principle used to analyze Stirling engines. Consequently, by verifying the correctness of the theoretical model for the isothermal steam expander using experimental data, a prototype of 100 c.c. isothermal steam expander is constructed.

  4. Column Chromatography To Obtain Organic Cation Sorption Isotherms.

    Science.gov (United States)

    Jolin, William C; Sullivan, James; Vasudevan, Dharni; MacKay, Allison A

    2016-08-02

    Column chromatography was evaluated as a method to obtain organic cation sorption isotherms for environmental solids while using the peak skewness to identify the linear range of the sorption isotherm. Custom packed HPLC columns and standard batch sorption techniques were used to intercompare sorption isotherms and solid-water sorption coefficients (Kd) for four organic cations (benzylamine, 2,4-dichlorobenzylamine, phenyltrimethylammonium, oxytetracycline) with two aluminosilicate clay minerals and one soil. A comparison of Freundlich isotherm parameters revealed isotherm linearity or nonlinearity was not significantly different between column chromatography and traditional batch experiments. Importantly, skewness (a metric of eluting peak symmetry) analysis of eluting peaks can establish isotherm linearity, thereby enabling a less labor intensive means to generate the extensive data sets of linear Kd values required for the development of predictive sorption models. Our findings clearly show that column chromatography can reproduce sorption measures from conventional batch experiments with the benefit of lower labor-intensity, faster analysis times, and allow for consistent sorption measures across laboratories with distinct chromatography instrumentation.

  5. Modeling of the non isothermal and non isobaric transformations kinetics. Application to the kaolinite de-hydroxylation and to the tri-uranium octo-oxide reduction by hydrogen

    International Nuclear Information System (INIS)

    Perrin, St.

    2002-12-01

    The aim of this work is to be able to describe transformations, occurring when solids and gases are in non isothermal and non isobaric conditions, with kinetic models. A methodology has been used. Two essential processes have to be taken into account: the germination and the growth. The germs are supposed to be formed (at constant temperature and pressure) in the grains surface with a constant velocity by surface unit, (gamma), called germination surface frequency (number of germs.m -2 .s -1 . The growth velocity is characterized by a growth surface reactivity, (phi) (in mol.m -2 .s -1 ). With an appropriate transformation model, it is possible to obtain the variations of (gamma) and (phi) in terms of the temperature and pressure which are then used in the calculation of the velocity in non isothermal and non isobaric conditions. In order to validate the developed method, two reactions have been studied. For the first one, the kaolinite de-hydroxylation, an anisotropic germination-growth model, where the step limiting the growth is a diffusion step, has been developed in order to explain the experimental kinetic curves. Nevertheless the velocity curves calculated from this model do not allow to describe the reaction for some temperature variations. This result shows the difficulty to precisely determine the germination surface frequency what induces an important approximation on the kinetic curves. The second reaction is the tri-uranium octo-oxide reduction by hydrogen. It has been shown that this reaction occurs according to three successive transformations. A kinetic model has been developed for each of these reactions considering germination as instantaneous. At last, in comparing this model with the experimental velocity curves, a very good agreement has been verified as well as for a temperature variation than for a hydrogen partial pressure change during the reaction. (O.M.)

  6. A study of the water vapor sorption isotherms of hardened cement pastes: Possible pore structure changes at low relative humidity and the impact of temperature on isotherms

    DEFF Research Database (Denmark)

    Wu, Min; Johannesson, Björn; Geiker, Mette Rica

    2014-01-01

    cement paste samples and a model material MCM-41. The pronounced impact of temperature on desorption isotherms of cement based materials as reported in literature was not found in this investigation. The results suggest that the differences between the sorption isotherms measured at different...

  7. Isotermas de sorção de tâmaras: determinação experimental e avaliação de modelos matemáticos Dates sorption isotherms: experimental determination and mathematics models evaluation

    Directory of Open Access Journals (Sweden)

    Mônica E.T. PRADO

    1999-01-01

    Full Text Available As isotermas de sorção de tâmaras (Phoenix dactylifera L., da variedade Zahidi, foram determinadas para três temperaturas, 60, 70 e 80° C pelo método estático gravimétrico. As curvas experimentais foram ajustadas pelas equações de BET, BET linearizada, GAB, HALSEY, OSWIN e PELEG. O desvio relativo entre os valores experimentais e os valores estimados foi calculado para cada curva, a fim de se avaliar qual equação melhor se ajustou aos dados experimentais.Dates sorption isotherms were determined by gravimetric at three differents temperatures (60, 70 and 80° C. Experimental data was adjusted to six sorption models de BET, linear BET, GAB, HALSEY, OSWIN and PELEG. The average relative deviations between calculated and experimental data were calculated do select best fit model.

  8. Isothermality of the gas in the Coma cluster

    International Nuclear Information System (INIS)

    Hughes, J.P.; Yamashita, K.; Okumura, Y.; Tsunemi, H.; Matsuoka, M.

    1988-01-01

    The high-quality X-ray spectrum of the Coma cluster observed by the Japanese satelite Tenma in conjunction with imaging data from the Einstein Observatory was used to explore the temperature distribution of the cluster gas. It is found that pure polytropic models are inadequate to describe this temperature distribution. Instead, a hybrid model is proposed consisting of a central isothermal region surrounded by a polytropic distribution. It is shown that as much as 75 percent of the global emission may come from the isothermal component. 30 references

  9. Analysis of form deviation in non-isothermal glass molding

    Science.gov (United States)

    Kreilkamp, H.; Grunwald, T.; Dambon, O.; Klocke, F.

    2018-02-01

    Especially in the market of sensors, LED lighting and medical technologies, there is a growing demand for precise yet low-cost glass optics. This demand poses a major challenge for glass manufacturers who are confronted with the challenge arising from the trend towards ever-higher levels of precision combined with immense pressure on market prices. Since current manufacturing technologies especially grinding and polishing as well as Precision Glass Molding (PGM) are not able to achieve the desired production costs, glass manufacturers are looking for alternative technologies. Non-isothermal Glass Molding (NGM) has been shown to have a big potential for low-cost mass manufacturing of complex glass optics. However, the biggest drawback of this technology at the moment is the limited accuracy of the manufactured glass optics. This research is addressing the specific challenges of non-isothermal glass molding with respect to form deviation of molded glass optics. Based on empirical models, the influencing factors on form deviation in particular form accuracy, waviness and surface roughness will be discussed. A comparison with traditional isothermal glass molding processes (PGM) will point out the specific challenges of non-isothermal process conditions. Furthermore, the underlying physical principle leading to the formation of form deviations will be analyzed in detail with the help of numerical simulation. In this way, this research contributes to a better understanding of form deviations in non-isothermal glass molding and is an important step towards new applications demanding precise yet low-cost glass optics.

  10. Moisture sorption isotherms of dehydrated whey proteins

    Directory of Open Access Journals (Sweden)

    Suzana Rimac Brnčić

    2010-03-01

    Full Text Available Moisture sorption isotherms describe the relation between the moisture content of the dry material (food and relative humidity of the surrounding environment. The data obtained are important in modelling of drying process conditions, packaging and shelf-life stability of food that will provide maximum retaining of aroma, colour and texture as well as nutritive and biological value. The objective of this research was to establish the equilibrium moisture content and water activity, as well as monolayer value of two commercial powdered whey protein isolates before and after tribomechanical micronisation and enzymatic hydrolysis, respectively. At the same time it was necessary to evaluate the best moisture sorption isotherm equation to fit the experimental data. The equilibrium moisture contents in investigated samples were determined using standard gravimetric method at 20 °C. The range of water activities was 0.11 to 0.75. The monolayer moisture content was estimated from sorption data using Brunauer-Emmett-Teller (BET and Guggenheim-Anderson-de Boer (GAB models. The results have shown that tribomechanically treated whey protein isolates as well as protein hydrolizates had lower monolayer moisture content values as well as higher corresponding water activity. Therefore, in spite of the fact that they have lower moisture content, they can be storage at higher relative humidity compared to untreated samples. BET model gave better fit to experimental sorption data for a water activity range from 0.11-0.54, while GAB model gave the closest fit for a water activity to 0.75.

  11. Isotherm, kinetic, and thermodynamic study of ciprofloxacin sorption on sediments.

    Science.gov (United States)

    Mutavdžić Pavlović, Dragana; Ćurković, Lidija; Grčić, Ivana; Šimić, Iva; Župan, Josip

    2017-04-01

    In this study, equilibrium isotherms, kinetics and thermodynamics of ciprofloxacin on seven sediments in a batch sorption process were examined. The effects of contact time, initial ciprofloxacin concentration, temperature and ionic strength on the sorption process were studied. The K d parameter from linear sorption model was determined by linear regression analysis, while the Freundlich and Dubinin-Radushkevich (D-R) sorption models were applied to describe the equilibrium isotherms by linear and nonlinear methods. The estimated K d values varied from 171 to 37,347 mL/g. The obtained values of E (free energy estimated from D-R isotherm model) were between 3.51 and 8.64 kJ/mol, which indicated a physical nature of ciprofloxacin sorption on studied sediments. According to obtained n values as measure of intensity of sorption estimate from Freundlich isotherm model (from 0.69 to 1.442), ciprofloxacin sorption on sediments can be categorized from poor to moderately difficult sorption characteristics. Kinetics data were best fitted by the pseudo-second-order model (R 2  > 0.999). Thermodynamic parameters including the Gibbs free energy (ΔG°), enthalpy (ΔH°) and entropy (ΔS°) were calculated to estimate the nature of ciprofloxacin sorption. Results suggested that sorption on sediments was a spontaneous exothermic process.

  12. Instabilities of isothermal liquid films

    International Nuclear Information System (INIS)

    Solesio, J.N.

    1977-04-01

    The integral forms of the mass and linear momentum balances are given for a two-phase flow system with surface tension and without material surface properties. The instantaneous local laws for each phase and the jump conditions for the interface are derived from these balance laws. Then, these laws are systematically simplified by means of dimensional analysis for an isothermal liquid film flowing down a plane. The stability studies of films are critically reviewed. The different methods are divided into two groups: the first one deals with the global approach, the second one with the perturbation theory. This group includes a new technique based upon the method of quadrature by differentiation. Finally, the different methods are compared [fr

  13. Water adsorption isotherms and thermodynamic properties of cassava bagasse

    International Nuclear Information System (INIS)

    Polachini, Tiago Carregari; Betiol, Lilian Fachin Leonardo; Lopes-Filho, José Francisco; Telis-Romero, Javier

    2016-01-01

    Highlights: • Adsorption isotherms and composition of cassava bagasse were determined. • GAB equation was the best-fitted model to sorption data of type II isotherm. • Isosteric heat of sorption was calculated in a range of equilibrium moisture content. • Differential enthalpy and entropy confirmed the isokinetic compensation theory. • Water adsorption by cassava bagasse is considered an enthalpy driven process. - Abstract: Losses of food industry are generally wet products that must be dried to posterior use and storage. In order to optimize drying processes, the study of isotherms and thermodynamic properties become essential to understand the water sorption mechanisms of cassava bagasse. For this, cassava bagasse was chemically analyzed and had its adsorption isotherms determined in the range of 293.15–353.15 K through the static gravimetric method. The models of GAB, Halsey, Henderson, Oswin and Peleg were fitted, and best adjustments were found for GAB model with R"2 > 0.998 and no pattern distribution of residual plots. Isosteric heat of adsorption and thermodynamic parameters could be determined as a function of moisture content. Compensation theory was confirmed, with linear relationship between enthalpy and entropy and higher values of isokinetic temperature (T_B = 395.62 K) than harmonic temperature. Water adsorption was considered driven by enthalpy, clarifying the mechanisms of water vapor sorption in cassava bagasse.

  14. THERMODYNAMICS AND ADSORPTION ISOTHERMS FOR THE ...

    African Journals Online (AJOL)

    BAFFA

    data were tested using Freundlich and Langmuir adsorption isotherms. The values of the numeric constants ... Keywords: Adsorbate, Adsorbent, Adsorption isotherms, Maize cob, Thermodynamics. INTRODUCTION. Maize (Zea mays) ... several times with water, air – dried and ground to. 850μm particle size and finally kept ...

  15. Isothermal transitions of a thermosetting system

    Science.gov (United States)

    Gillham, J. K.; Benci, J. A.; Noshay, A.

    1974-01-01

    A study of the curing reactions of a cycloaliphatic epoxy resin/anhydride system by torsional braid analysis showed the existence of two critical isothermal temperatures - namely, the maximum glass transition temperature of the thermoset system and the glass transition temperature of the material at its gel point. Two rheologically active kinetic transitions occur during isothermal cure which correspond to gelation and vitrification. Three types of isothermal behavior occur. Methods for determining the time to gel and the time to vitrify, and also the two above-mentioned critical isothermal temperatures, have been developed. The time to gel obeyed the Arrhenius relationship, whereas the time to vitrify passed through a minimum. Application of these results to thermosetting systems in general is discussed in terms of the influence of molecular structure on the values of the critical isothermal temperatures.

  16. Study of non-isothermal crystallization of Eu{sup 3+} doped Zn{sub 2}SiO{sub 4} powders through the application of various macrokinetic models

    Energy Technology Data Exchange (ETDEWEB)

    Janković, Bojan, E-mail: bojanjan@ffh.bg.ac.rs [Faculty of Physical Chemistry, Department of the Dynamics and Structure of Matter, University of Belgrade, Studentski trg 12-16, P.O. Box 137, 11001 Belgrade (Serbia); Marinović-Cincović, Milena; Dramićanin, Miroslav D. [Vinča Institute of Nuclear Sciences, University of Belgrade, Mike Petrovića Alasa 12-14, P.O. Box 552, 11001 Belgrade (Serbia)

    2014-02-25

    Highlights: • Europium (Eu{sup 3+}) doped zinc silicate powders. • Sol–gel method. • Stochastic geometric and semi-empirical models. • The interface controlled growth with an increasing nucleation rate. • The improved Nakamura’s model. -- Abstract: Various macrokinetic models (Avrami, Evans, Tobin, Malkin, Dietz, Nakamura, and modified first-order models) were applied to describe non-isothermal crystallization kinetics of Eu{sup 3+} doped zinc silicate powders prepared via the sol–gel method. Analysis of the experimental data was carried out using a direct-fitting method such that the experimental data were fitted directly to each macrokinetic model using a non-linear multivariable regression computation procedure. Comparison of kinetic parameters obtained from the non-linear computation approach to those obtained from the traditional analytical procedure suggested that applicability and reliability of the direct-fitting method were satisfactory. Judging from the quality of the fit, only Nakamura’s model properly describe the temperature dependence of the relative crystallinity, which resulted in the total rejection of the Tobin model in describing the crystallization. With detailed kinetic examination it was concluded that crystallization mechanism of α-willemite doped samples combusted in a microwave oven (MW) follows interface controlled growth with an increasing nucleation rate, attached with geometric process-rate function obeying the improved (corrected) Nakamura’s model. It was found that the presence of non integer Avrami exponent values may indicate that crystallization occurs by more than one reaction mechanism, including the occurrence of autocatalytic behavior of a given system.

  17. ANALYTICAL SOLUTIONS OF SINGULAR ISOTHERMAL QUADRUPOLE LENS

    International Nuclear Information System (INIS)

    Chu Zhe; Lin, W. P.; Yang Xiaofeng

    2013-01-01

    Using an analytical method, we study the singular isothermal quadrupole (SIQ) lens system, which is the simplest lens model that can produce four images. In this case, the radial mass distribution is in accord with the profile of the singular isothermal sphere lens, and the tangential distribution is given by adding a quadrupole on the monopole component. The basic properties of the SIQ lens have been studied in this Letter, including the deflection potential, deflection angle, magnification, critical curve, caustic, pseudo-caustic, and transition locus. Analytical solutions of the image positions and magnifications for the source on axes are derived. We find that naked cusps will appear when the relative intensity k of quadrupole to monopole is larger than 0.6. According to the magnification invariant theory of the SIQ lens, the sum of the signed magnifications of the four images should be equal to unity, as found by Dalal. However, if a source lies in the naked cusp, the summed magnification of the left three images is smaller than the invariant 1. With this simple lens system, we study the situations where a point source infinitely approaches a cusp or a fold. The sum of the magnifications of the cusp image triplet is usually not equal to 0, and it is usually positive for major cusps while negative for minor cusps. Similarly, the sum of magnifications of the fold image pair is usually not equal to 0 either. Nevertheless, the cusp and fold relations are still equal to 0 in that the sum values are divided by infinite absolute magnifications by definition.

  18. Modelling of simultaneous mass and heat transfer with chemical reaction using the Maxwell-Stefan theory II. Non-isothermal study

    NARCIS (Netherlands)

    Frank, M.J.W.; Kuipers, J.A.M.; Krishna, R.; van Swaaij, W.P.M.

    1995-01-01

    In Part I a general applicable model has been developed which calculates mass and heat transfer fluxes through a vapour/gas-liquid interface in case a reversible chemical reaction with associated heat effect takes place in the liquid phase. In this model the Maxwell-Stefan theory has been used to

  19. Experimental and Numerical Studies on Isothermal and Non-isothermal Deep Drawing of IS 513 CR3 Steel Sheets

    Science.gov (United States)

    Mayavan, T.; Karthikeyan, L.; Senthilkumar, V. S.

    2016-11-01

    The present work aims to investigate the effects of the temperature gradient developed within the tool profiles on the formability of IS 513 CR3-grade steel sheets using the cup drawing test. The deformation characteristics of steel sheets were analyzed by comparing the thicknesses in various regions of the formed cup and also the limiting drawing ratios (LDR). Finite element simulations were carried out to predict the behavior of the steel sheets in isothermal and non-isothermal forming using Abaqus/Standard 6.12-1. An analytical model created by Kim was used to validate the experimental and finite element analysis (FEA) results on identical process parameters. Both the FEA and analytical modeling results showed that formability improvement is possible in warm forming; the findings are in good agreement with the experimental results in determining the locations and values of excessive thinning. The results also indicated that formability improvement cannot be achieved by keeping the tooling temperature at the same level. The LDR increased by around 9.5% in isothermal forming and by 19% in non-isothermal forming (with the punch maintained at a lower temperature compared with the die and blank holder). In addition, the fractured surfaces of unsuccessfully formed samples were analyzed using scanning electron microscopy. Metallographic investigations confirmed that the fracture mechanism during the forming of IS 513 CR3-grade steel sheets depends on the brittleness, strain hardening value, forming temperature, and magnitude of stresses developed.

  20. Numerical studies of pulsating buoyant plume in isothermal and non isothermal situations

    International Nuclear Information System (INIS)

    Sharma, Pavan K.; Singh, R.K.; Mohanty, Ananya; Das, D.

    2014-01-01

    A computational study has been carried out for predicting the behaviour of buoyant plume in isothermal and non isothermal configuration. General simulation objectives of any buoyant flow simulation are macroscopic in nature and deals with the grass data in respect of buoyancy induced scalar transport. However, the accuracy of predicting such macroscopic parameters is a strong function of several other microscopic parameters which govern the overall macroscopic behaviour. Some of the microscopic parameters for analysis could be buoyancy induced stable/unstable flows, relative plume behaviour, baroclinic velocity distribution etc. Only the CFD based flow modelling approach is capable of calculating several of these aspects. LES based modelling scores over the conventional RANS based computational modelling. The primary objective of the present study was to model buoyant plume simulation of different types in order to explore the details regarding plume and flow structure, instabilities and puffing behaviour. One of the influencing parameters on the overall plume behaviour is the buoyancy resolution index i.e. fineness of chosen grid in relation to the buoyancy intensity and other hydrodynamic parameters. The grid sensitivity studies have been carried out to find out the optimum value grid size by way of buoyant pool fire simulations. Comparative simulation has also been made for a square and round pool fire and it was found that for engineering simulations equivalent area square pool modeling is sufficient. Using the optimum value of grid size and square pool shape simulations have been carried out for different value of fire intensity. The flame puffing frequency as calculated by the reported correlation was compared against the computationally observed puffing frequency and the agreement was generally found to be excellent. Besides these results the comparisons of predicted peak flames temperatures data for various case studies with the available experimental data

  1. ISOTHERMAL AND THERMOMECHANICAL FATIGUE OF A NICKEL-BASE SUPERALLOY

    Directory of Open Access Journals (Sweden)

    Carlos Carvalho Engler-Pinto Júnior

    2014-06-01

    Full Text Available Thermal gradients arising during transient regimes of start-up and shutdown operations produce a complex thermal and mechanical fatigue loading which limits the life of turbine blades and other engine components operating at high temperatures. More accurate and reliable assessment under non-isothermal fatigue becomes therefore mandatory. This paper investigates the nickel base superalloy CM 247LC-DS under isothermal low cycle fatigue (LCF and thermomechanical fatigue (TMF. Test temperatures range from 600°C to 1,000°C. The behavior of the alloy is strongly affected by the temperature variation, especially in the 800°C-1,000°C range. The Ramberg-Osgood equation fits very well the observed isothermal behavior for the whole temperature range. The simplified non-isothermal stress-strain model based on linear plasticity proposed to represent the thermo-mechanical fatigue behavior was able to reproduce the observed behavior for both in-phase and out-of-phase TMF cycling.

  2. Theory and numeric modelling of non-isothermal multiphase processes in NAPL-contaminated porous media; Theorie und numerische Modellierung nichtisothermer Mehrphasenprozesse in NAPL-kontaminierten poroesen Medien

    Energy Technology Data Exchange (ETDEWEB)

    Class, H.

    2000-07-01

    The author investigates the numeric simulation of physical processes in porous media. The development of the model and its components is described, and the model is validated by laboratory experiments. Differences from the discretization methods BOX and CVFE are discussed as well as the applicability of the multigrid method described for multicomponent approaches. [German] Bei der thermischen Sanierung NAPL-kontaminierter Standorte, z.B. durch Injektion von Wasserdampf und/oder Heissluft, treten nichtisotherme Mehrphasenprozesse auf, die in einem Modell durch eine Betrachtung der Stroemungs- und Transportprozesse als Mehrkomponentensystem beschrieben werden koennen. Dabei ist der Austausch thermischer Energie zwischen den Phasen untereinander und auch dem poroesen Medium selbst, wie auch der Uebergang von Massekomponenten zwischen den Phasen zu beruecksichtigen. Die vorliegende Arbeit behandelt die numerische Simulation derartiger physikalischer Vorgaenge in poroesen Medien. Ausgehend von der Problemstellung wird die Entwicklung eines konzeptionellen Modells (Kap. 2) sowie die Umsetzung der daraus resultierenden mathematischen Gleichungen und dazu erforderlichen Diskretisierungs- und Loesungsmethoden in numerische Algorithmen dargestellt (Kap. 3). Anschliessend wird in Kap. 4 die Faehigkeit des erstelten numerischen Modells ueberprueft, Problemstellungen in natuerlichen Systemen zu simulieren (Vergleich mit Laborexperimenten); ausserdem werden Unterschiede der Diskretisierungsverfahren BOX und CVFE sowie die Anwendbarkeit des in dieser Arbeit fuer Mehrkomponentenformulierungen erweiterten Mehrgitterverfahrens diskutiert. (orig.)

  3. One-dimensional isothermal multicomponent diffusion-reaction model and its application to methanol synthesis over commercial Cu-based catalyst

    Directory of Open Access Journals (Sweden)

    Lei Kun

    2015-03-01

    Full Text Available The present work was a study on global reaction rate of methanol synthesis. We measured experimentally the global reaction rate in the internal recycle gradientless reactor over catalyst SC309. The diffusion-reaction model of methanol synthesis was suggested. For model we chose the hydrogenation of CO and CO2 as key reaction. CO and CO2 were key components in our model. The internal diffusion effectiveness factors of CO and CO2 in the catalyst were calculated by the numerical integration. A comparison with the experiment showed that all the absolute values of the relative error were less than 10%. The simulation results showed that decreasing reaction temperature and catalyst diameter were conducive to reduce the influence of the internal diffusion on the methanol synthesis.

  4. Formulation of strongly non-local, non-isothermal dynamics for heterogeneous solids based on the GENERIC with application to phase-field modeling

    NARCIS (Netherlands)

    Hütter, M.; Svendsen, B.

    2017-01-01

    The purpose of the current work is the formulation of models for conservative and non-conservative dynamics in solid systems with the help of the General Equation for the Non-Equilibrium Reversible-Irreversible Coupling (GENERIC: e.g., Grmela and Öttinger, Phys. Rev. E 56(6), 6620 (1997); Öttinger

  5. Evaluating the performance of a new model for predicting the growth of Clostridium perfringens in cooked, uncured meat and poultry products under isothermal, heating, and dynamically cooling conditions

    Science.gov (United States)

    Clostridium perfringens Type A is a significant public health threat and may germinate, outgrow, and multiply during cooling of cooked meats. This study evaluates a new C. perfringens growth model in IPMP Dynamic Prediction using the same criteria and cooling data in Mohr and others (2015), but inc...

  6. Diagnostic Devices for Isothermal Nucleic Acid Amplification

    Directory of Open Access Journals (Sweden)

    Chia-Chen Chang

    2012-06-01

    Full Text Available Since the development of the polymerase chain reaction (PCR technique, genomic information has been retrievable from lesser amounts of DNA than previously possible. PCR-based amplifications require high-precision instruments to perform temperature cycling reactions; further, they are cumbersome for routine clinical use. However, the use of isothermal approaches can eliminate many complications associated with thermocycling. The application of diagnostic devices for isothermal DNA amplification has recently been studied extensively. In this paper, we describe the basic concepts of several isothermal amplification approaches and review recent progress in diagnostic device development.

  7. Diagnostic devices for isothermal nucleic acid amplification.

    Science.gov (United States)

    Chang, Chia-Chen; Chen, Chien-Cheng; Wei, Shih-Chung; Lu, Hui-Hsin; Liang, Yang-Hung; Lin, Chii-Wann

    2012-01-01

    Since the development of the polymerase chain reaction (PCR) technique, genomic information has been retrievable from lesser amounts of DNA than previously possible. PCR-based amplifications require high-precision instruments to perform temperature cycling reactions; further, they are cumbersome for routine clinical use. However, the use of isothermal approaches can eliminate many complications associated with thermocycling. The application of diagnostic devices for isothermal DNA amplification has recently been studied extensively. In this paper, we describe the basic concepts of several isothermal amplification approaches and review recent progress in diagnostic device development.

  8. Artificial neural network (ANN) method for modeling of sunset yellow dye adsorption using zinc oxide nanorods loaded on activated carbon: Kinetic and isotherm study

    Science.gov (United States)

    Maghsoudi, M.; Ghaedi, M.; Zinali, A.; Ghaedi, A. M.; Habibi, M. H.

    2015-01-01

    In this research, ZnO nanoparticle loaded on activated carbon (ZnO-NPs-AC) was synthesized simply by a low cost and nontoxic procedure. The characterization and identification have been completed by different techniques such as SEM and XRD analysis. A three layer artificial neural network (ANN) model is applicable for accurate prediction of dye removal percentage from aqueous solution by ZnO-NRs-AC following conduction of 270 experimental data. The network was trained using the obtained experimental data at optimum pH with different ZnO-NRs-AC amount (0.005-0.015 g) and 5-40 mg/L of sunset yellow dye over contact time of 0.5-30 min. The ANN model was applied for prediction of the removal percentage of present systems with Levenberg-Marquardt algorithm (LMA), a linear transfer function (purelin) at output layer and a tangent sigmoid transfer function (tansig) in the hidden layer with 6 neurons. The minimum mean squared error (MSE) of 0.0008 and coefficient of determination (R2) of 0.998 were found for prediction and modeling of SY removal. The influence of parameters including adsorbent amount, initial dye concentration, pH and contact time on sunset yellow (SY) removal percentage were investigated and optimal experimental conditions were ascertained. Optimal conditions were set as follows: pH, 2.0; 10 min contact time; an adsorbent dose of 0.015 g. Equilibrium data fitted truly with the Langmuir model with maximum adsorption capacity of 142.85 mg/g for 0.005 g adsorbent. The adsorption of sunset yellow followed the pseudo-second-order rate equation.

  9. Consistent lattice Boltzmann modeling of low-speed isothermal flows at finite Knudsen numbers in slip-flow regime: Application to plane boundaries

    Science.gov (United States)

    Silva, Goncalo; Semiao, Viriato

    2017-07-01

    The first nonequilibrium effect experienced by gaseous flows in contact with solid surfaces is the slip-flow regime. While the classical hydrodynamic description holds valid in bulk, at boundaries the fluid-wall interactions must consider slip. In comparison to the standard no-slip Dirichlet condition, the case of slip formulates as a Robin-type condition for the fluid tangential velocity. This makes its numerical modeling a challenging task, particularly in complex geometries. In this work, this issue is handled with the lattice Boltzmann method (LBM), motivated by the similarities between the closure relations of the reflection-type boundary schemes equipping the LBM equation and the slip velocity condition established by slip-flow theory. Based on this analogy, we derive, as central result, the structure of the LBM boundary closure relation that is consistent with the second-order slip velocity condition, applicable to planar walls. Subsequently, three tasks are performed. First, we clarify the limitations of existing slip velocity LBM schemes, based on discrete analogs of kinetic theory fluid-wall interaction models. Second, we present improved slip velocity LBM boundary schemes, constructed directly at discrete level, by extending the multireflection framework to the slip-flow regime. Here, two classes of slip velocity LBM boundary schemes are considered: (i) linear slip schemes, which are local but retain some calibration requirements and/or operation limitations, (ii) parabolic slip schemes, which use a two-point implementation but guarantee the consistent prescription of the intended slip velocity condition, at arbitrary plane wall discretizations, further dispensing any numerical calibration procedure. Third and final, we verify the improvements of our proposed slip velocity LBM boundary schemes against existing ones. The numerical tests evaluate the ability of the slip schemes to exactly accommodate the steady Poiseuille channel flow solution, over

  10. Consistent lattice Boltzmann modeling of low-speed isothermal flows at finite Knudsen numbers in slip-flow regime: Application to plane boundaries.

    Science.gov (United States)

    Silva, Goncalo; Semiao, Viriato

    2017-07-01

    The first nonequilibrium effect experienced by gaseous flows in contact with solid surfaces is the slip-flow regime. While the classical hydrodynamic description holds valid in bulk, at boundaries the fluid-wall interactions must consider slip. In comparison to the standard no-slip Dirichlet condition, the case of slip formulates as a Robin-type condition for the fluid tangential velocity. This makes its numerical modeling a challenging task, particularly in complex geometries. In this work, this issue is handled with the lattice Boltzmann method (LBM), motivated by the similarities between the closure relations of the reflection-type boundary schemes equipping the LBM equation and the slip velocity condition established by slip-flow theory. Based on this analogy, we derive, as central result, the structure of the LBM boundary closure relation that is consistent with the second-order slip velocity condition, applicable to planar walls. Subsequently, three tasks are performed. First, we clarify the limitations of existing slip velocity LBM schemes, based on discrete analogs of kinetic theory fluid-wall interaction models. Second, we present improved slip velocity LBM boundary schemes, constructed directly at discrete level, by extending the multireflection framework to the slip-flow regime. Here, two classes of slip velocity LBM boundary schemes are considered: (i) linear slip schemes, which are local but retain some calibration requirements and/or operation limitations, (ii) parabolic slip schemes, which use a two-point implementation but guarantee the consistent prescription of the intended slip velocity condition, at arbitrary plane wall discretizations, further dispensing any numerical calibration procedure. Third and final, we verify the improvements of our proposed slip velocity LBM boundary schemes against existing ones. The numerical tests evaluate the ability of the slip schemes to exactly accommodate the steady Poiseuille channel flow solution, over

  11. Modeling the nonequilibrium effects in a nonquasi-equilibrium thermodynamic cycle based on steepest entropy ascent and an isothermal-isobaric ensemble

    International Nuclear Information System (INIS)

    Li, Guanchen; Spakovsky, Michael R. von

    2016-01-01

    Conventional first principle approaches for studying nonequilibrium or far-from-equilibrium processes depend on the mechanics of individual particles or quantum states. They also require many details of the mechanical features of a system to arrive at a macroscopic property. In contrast, thermodynamics provides an approach for determining macroscopic property values without going into these details, because the overall effect of particle dynamics results, for example, at stable equilibrium in an invariant pattern of the “Maxwellian distribution”, which in turn leads to macroscopic properties. However, such an approach is not generally applicable to a nonequilibrium process except in the near-equilibrium realm. To adequately address these drawbacks, steepest-entropy-ascent quantum thermodynamics (SEAQT) provides a first principle, thermodynamic-ensemble approach applicable to the entire nonequilibrium realm. Based on prior developments by the authors, this paper applies the SEAQT framework to modeling the nonquasi-equilibrium cycle, which a system with variable volume undergoes. Using the concept of hypoequilibrium state and nonequilibrium intensive properties, this framework provides a complete description of the nonequilibrium evolution in state of the system. Results presented here reveal how nonequilibrium effects influence the performance of the cycle. - Highlights: • First-principles nonequilibrium model of thermodynamic cycles. • Study of thermal efficiency losses due to nonequilibrium effects. • Study of systems undergoing nonquasi-equilibrium processes. • Study of the coupling of system relaxation and interaction with a reservoir.

  12. Measurement and analysis of adsorption isotherms of CO_2 on activated carbon

    International Nuclear Information System (INIS)

    Singh, Vinod Kumar; Anil Kumar, E.

    2016-01-01

    In the present work CO_2 adsorption isotherms of a commercially available activated carbon, Norit Darco type obtained from lignite granular material, were measured. Adsorption isotherms were measured at different temperatures 298 K, 308 K, 318 K and 338 K and over a pressure range of 0–45 bar using Sievert's type experimental setup. Experimental data of CO_2 adsorption isotherms were modelled using Langmuir and Dubinin–Astakhov (D–A) isotherm models. Based on coefficient of correlation and normalized standard deviation it was found that D–A isotherm model was well suited with the experimental data of CO_2 adsorption isotherms. The important thermodynamic properties viz., limiting heat of adsorption at zero coverage, entropy, Gibbs free energy and isosteric heat of adsorption as a function of surface coverage were evaluated using van't Hoff and Clausius–Clapeyron equations. These thermodynamic properties were indicating that CO_2 uptake by activated carbon is a physisorption phenomenon. The adsorption isotherms data and the thermodynamic parameters estimated in the present study are useful for designing of an adsorption based gas storage systems.

  13. Isothermal calorimeter for reactor radiation dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Radak, B; Markovic, V [Institute of Nuclear Sciences Boris Kidric, Odeljenje za radijacionu hemiju, Vinca, Beograd (Serbia and Montenegro)

    1961-12-15

    An isothermal calorimeter with thermistors for measuring absorbed dose rates from 10{sup 4}-5-6.10{sup 5} rad/h in reactor experimental holes has been designed. A kinetics method for determining the equilibrium temperature difference has been developed, and its application in isothermal calorimetry proved. The expected accuracy in measurements within {+-} 2-5% has been proved by measurements carried out in the reactor. Some data obtained by measurements in the reactor RA are presented (author)

  14. Isotherms clustering in cosmic microwave background

    International Nuclear Information System (INIS)

    Bershadskii, A.

    2006-01-01

    Isotherms clustering in cosmic microwave background (CMB) has been studied using the 3-year WMAP data on cosmic microwave background radiation. It is shown that the isotherms clustering could be produced by the baryon-photon fluid turbulence in the last scattering surface. The Taylor-microscale Reynolds number of the turbulence is estimated directly from the CMB data as Re λ ∼10 2

  15. Miniaturized isothermal nucleic acid amplification, a review.

    Science.gov (United States)

    Asiello, Peter J; Baeumner, Antje J

    2011-04-21

    Micro-Total Analysis Systems (µTAS) for use in on-site rapid detection of DNA or RNA are increasingly being developed. Here, amplification of the target sequence is key to increasing sensitivity, enabling single-cell and few-copy nucleic acid detection. The several advantages to miniaturizing amplification reactions and coupling them with sample preparation and detection on the same chip are well known and include fewer manual steps, preventing contamination, and significantly reducing the volume of expensive reagents. To-date, the majority of miniaturized systems for nucleic acid analysis have used the polymerase chain reaction (PCR) for amplification and those systems are covered in previous reviews. This review provides a thorough overview of miniaturized analysis systems using alternatives to PCR, specifically isothermal amplification reactions. With no need for thermal cycling, isothermal microsystems can be designed to be simple and low-energy consuming and therefore may outperform PCR in portable, battery-operated detection systems in the future. The main isothermal methods as miniaturized systems reviewed here include nucleic acid sequence-based amplification (NASBA), loop-mediated isothermal amplification (LAMP), helicase-dependent amplification (HDA), rolling circle amplification (RCA), and strand displacement amplification (SDA). Also, important design criteria for the miniaturized devices are discussed. Finally, the potential of miniaturization of some new isothermal methods such as the exponential amplification reaction (EXPAR), isothermal and chimeric primer-initiated amplification of nucleic acids (ICANs), signal-mediated amplification of RNA technology (SMART) and others is presented.

  16. TOGA: A TOUGH code for modeling three-phase, multi-component, and non-isothermal processes involved in CO2-based Enhanced Oil Recovery

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Lehua [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); Oldenburg, Curtis M. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)

    2016-10-10

    TOGA is a numerical reservoir simulator for modeling non-isothermal flow and transport of water, CO2, multicomponent oil, and related gas components for applications including CO2-enhanced oil recovery (CO2-EOR) and geologic carbon sequestration in depleted oil and gas reservoirs. TOGA uses an approach based on the Peng-Robinson equation of state (PR-EOS) to calculate the thermophysical properties of the gas and oil phases including the gas/oil components dissolved in the aqueous phase, and uses a mixing model to estimate the thermophysical properties of the aqueous phase. The phase behavior (e.g., occurrence and disappearance of the three phases, gas + oil + aqueous) and the partitioning of non-aqueous components (e.g., CO2, CH4, and n-oil components) between coexisting phases are modeled using K-values derived from assumptions of equal-fugacity that have been demonstrated to be very accurate as shown by comparison to measured data. Models for saturated (water) vapor pressure and water solubility (in the oil phase) are used to calculate the partitioning of the water (H2O) component between the gas and oil phases. All components (e.g., CO2, H2O, and n hydrocarbon components) are allowed to be present in all phases (aqueous, gaseous, and oil). TOGA uses a multiphase version of Darcy’s Law to model flow and transport through porous media of mixtures with up to three phases over a range of pressures and temperatures appropriate to hydrocarbon recovery and geologic carbon sequestration systems. Transport of the gaseous and dissolved components is by advection and Fickian molecular diffusion. New methods for phase partitioning and thermophysical property modeling in TOGA have been validated against experimental data published in the literature for describing phase partitioning and phase behavior. Flow and transport has been verified by testing against related TOUGH2 EOS modules and

  17. Isothermal dehydration of thin films of water and sugar solutions

    Energy Technology Data Exchange (ETDEWEB)

    Heyd, R. [Centre de Recherche sur la Matière Divisée, University of Orleans and CNRS, rue de la Férollerie 1B, 45071 Orléans Cedex 2 (France); Rampino, A. [Centre de Recherche sur la Matière Divisée, University of Orleans and CNRS, rue de la Férollerie 1B, 45071 Orléans Cedex 2 (France); Laboratory of Physical and Macromolecular Chemistry, University of Trieste, Via Giorgieri 1, 34127 Trieste (Italy); Bellich, B.; Elisei, E. [Laboratory of Physical and Macromolecular Chemistry, University of Trieste, Via Giorgieri 1, 34127 Trieste (Italy); Cesàro, A. [Laboratory of Physical and Macromolecular Chemistry, University of Trieste, Via Giorgieri 1, 34127 Trieste (Italy); Elettra Sincrotrone Trieste, Area Science Park, I-34149 Trieste (Italy); Saboungi, M.-L. [Centre de Recherche sur la Matière Divisée, University of Orleans and CNRS, rue de la Férollerie 1B, 45071 Orléans Cedex 2 (France); Institut de Minéralogie, de Physique des Matériaux, et de Cosmochimie (IMPMC), Sorbonne Univ-UPMC, Univ Paris 06, UMR CNRS 7590, Museum National d’Histoire Naturelle, IRD UMR 206, 4 Place Jussieu, F-75005 Paris (France)

    2014-03-28

    The process of quasi-isothermal dehydration of thin films of pure water and aqueous sugar solutions is investigated with a dual experimental and theoretical approach. A nanoporous paper disk with a homogeneous internal structure was used as a substrate. This experimental set-up makes it possible to gather thermodynamic data under well-defined conditions, develop a numerical model, and extract needed information about the dehydration process, in particular the water activity. It is found that the temperature evolution of the pure water film is not strictly isothermal during the drying process, possibly due to the influence of water diffusion through the cellulose web of the substrate. The role of sugar is clearly detectable and its influence on the dehydration process can be identified. At the end of the drying process, trehalose molecules slow down the diffusion of water molecules through the substrate in a more pronounced way than do the glucose molecules.

  18. FTIR spectrophotometry, kinetics and adsorption isotherms modeling, ion exchange, and EDX analysis for understanding the mechanism of Cd{sup 2+} and Pb{sup 2+} removal by mango peel waste

    Energy Technology Data Exchange (ETDEWEB)

    Iqbal, Muhammad [Biotechnology Group, Centre for Environment Protection Studies, PCSIR Laboratories Complex, Ferozepur Road, Lahore 54600 (Pakistan)], E-mail: iqbalm@fulbrightweb.org; Saeed, Asma [Biotechnology Group, Centre for Environment Protection Studies, PCSIR Laboratories Complex, Ferozepur Road, Lahore 54600 (Pakistan); Zafar, Saeed Iqbal [School of Biological Sciences, University of Punjab, Lahore 54590 (Pakistan)

    2009-05-15

    Mango peel waste (MPW) was evaluated as a new sorbent for the removal of Cd{sup 2+} and Pb{sup 2+} from aqueous solution. The maximum sorption capacity of Cd{sup 2+} and Pb{sup 2+} was found to be 68.92 and 99.05 mg g{sup -1}, respectively. The kinetics of sorption of both metals was fast, reaching at equilibrium in 60 min. Sorption kinetics and equilibria followed pseudo-second order and Langmuir adsorption isotherm models. FTIR analysis revealed that carboxyl and hydroxyl functional groups were mainly responsible for the sorption of Cd{sup 2+} and Pb{sup 2+}. Chemical modification of MPW for blocking of carboxyl and hydroxyl groups showed that 72.46% and 76.26% removal of Cd{sup 2+} and Pb{sup 2+}, respectively, was due to the involvement of carboxylic group, whereas 26.64% and 23.74% was due to the hydroxyl group. EDX analysis of MPW before and after metal sorption and release of cations (Ca{sup 2+}, Mg{sup 2+}, Na{sup +}, K{sup +}) and proton H{sup +} from MPW with the corresponding uptake of Cd{sup 2+} and Pb{sup 2+} revealed that the main mechanism of sorption was ion exchange. The regeneration experiments showed that the MPW could be reused for five cycles without significant loss in its initial sorption capacity. The study points to the potential of new use of MPW as an effective sorbent for the removal of Cd{sup 2+} and Pb{sup 2+} from aqueous solution.

  19. Adsorption isotherms of pear at several temperatures

    OpenAIRE

    Mitrevski Vangelče; Lutovska Monika; Mijakovski Vladimir; Pavkov Ivan S.; Babić Mirko M.; Radojčin Milivoje T.

    2015-01-01

    The moisture adsorption isotherms of pear were determined at 15ºC, 30ºC and 45ºC using the standard static gravimetric method over a range of water activity from 0.112 to 0.920. The experimental data were fitted with isotherm equations recommended in ASAE Standard D245.5. In order to find which equation gives the best results, large number of numerical experiments were performed. After that, several statistical criteria proposed in scientific literature for...

  20. Adsorption Isotherms of CH 4 on Activated Carbon from Indonesian Low Grade Coal

    KAUST Repository

    Martin, Awaludin

    2011-03-10

    This article presents an experimental approach for the determination of the adsorption isotherms of methane on activated carbon that is essential for methane storage purposes. The experiments incorporated a constant-volume- variable-pressure (CVVP) apparatus, and two types of activated carbon have been investigated, namely, activated carbon derived from the low rank coal of the East of Kalimantan, Indonesia, and a Carbotech activated carbon. The isotherm results which cover temperatures from (300 to 318) K and pressures up to 3.5 MPa are analyzed using the Langmuir, Tóth, and Dubinin-Astakhov (D-A) isotherm models. The heat of adsorption for the single component methane-activated carbon system, which is concentration- and temperature-dependent, is determined from the measured isotherm data. © 2011 American Chemical Society.

  1. Moisture ingress into electronics enclosures under isothermal conditions

    DEFF Research Database (Denmark)

    Staliulionis, Zygimantas; Jabbaribehnam, Mirmasoud; Hattel, Jesper Henri

    2016-01-01

    loads are still not understood well by design engineers, therefore this field has become one of the bottlenecks in the electronics system design. The objective of this paper is to model moisture ingress into an electronics enclosure under isothermal conditions. The moisture diffusion model is based......The number of electronics used in outdoor environment is constantly growing. The humidity causes about 19 % of all electronics failures and, especially, moisture increases these problems due to the ongoing process of miniaturization and lower power consumption of electronic components. Moisture...

  2. Sequence crystallization during isotherm evaporation of southern ...

    African Journals Online (AJOL)

    Southern Algerian's natural brine sampled from chott Baghdad may be a source of mineral salts with a high economic value. These salts are recoverable by simple solar evaporation. Indeed, during isothermal solar evaporation, it is possible to recover mineral salts and to determine the precipitation sequences of different ...

  3. THERMODYNAMICS AND ADSORPTION ISOTHERMS FOR THE ...

    African Journals Online (AJOL)

    BAFFA

    The use of maize (Zea mays) cob for the biosorption of Cr(VI), Ni(II) and Cd(II) is ... Variations in the concentration of the different adsorbates during the adsorption process .... Langmuir isotherm is the dimensionless separation .... The use of Sago waste for the sorption of lead and copper. Water S. Afr., 24 (3), p251-256.

  4. Isothermal Titration Calorimetry in the Student Laboratory

    Science.gov (United States)

    Wadso, Lars; Li, Yujing; Li, Xi

    2011-01-01

    Isothermal titration calorimetry (ITC) is the measurement of the heat produced by the stepwise addition of one substance to another. It is a common experimental technique, for example, in pharmaceutical science, to measure equilibrium constants and reaction enthalpies. We describe a stirring device and an injection pump that can be used with a…

  5. Isothermal Gravitational Segregation: Algorithms and Specifications

    DEFF Research Database (Denmark)

    Halldórsson, Snorri; Stenby, Erling Halfdan

    2000-01-01

    New algorithms for calculating the isothermal equilibrium state of reservoir fluids under the influence of gravity are presented. Two types of specifications are considered: the specification of pressure and composition at a reference depth; and the specification of the total overall content of t...

  6. TWO-PARAMETER ISOTHERMS OF METHYL ORANGE SORPTION BY PINECONE DERIVED ACTIVATED CARBON

    Directory of Open Access Journals (Sweden)

    M. R. Samarghandi ، M. Hadi ، S. Moayedi ، F. Barjasteh Askari

    2009-10-01

    Full Text Available The adsorption of a mono azo dye methyl-orange (MeO onto granular pinecone derived activated carbon (GPAC, from aqueous solutions, was studied in a batch system. Seven two-parameter isotherm models Langmuir, Freundlich, Dubinin-Radushkevic, Temkin, Halsey, Jovanovic and Hurkins-Jura were used to fit the experimental data. The results revealed that the adsorption isotherm models fitted the data in the order of Jovanovic (X2=1.374 > Langmuir > Dubinin-Radushkevic > Temkin > Freundlich > Halsey > Hurkins-Jura isotherms. Adsorption isotherms modeling showed that the interaction of dye with activated carbon surface is localized monolayer adsorption. A comparison of kinetic models was evaluated for the pseudo-second order, Elovich and Lagergren kinetic models. Lagergren first order model was found to agree well with the experimental data (X2=9.231. In order to determine the best-fit isotherm and kinetic models, two error analysis methods of Residual Mean Square Error and Chi-square statistic (X2 were used to evaluate the data.

  7. Assessment of Salmonella spp. and Escherichia coli O157:H7 growth on lettuce exposed to isothermal and non-isothermal conditions.

    Science.gov (United States)

    de Oliveira Elias, Susana; Noronha, Tiago Baptista; Tondo, Eduardo Cesar

    2018-06-01

    This study aimed to assess the growth of Salmonella and Escherichia coli O157:H7 on lettuce exposed to isothermal and non-isothermal conditions. Pathogens were inoculated on lettuce separately and stored under isothermal condition at 5 °C, 10 °C, 25 °C, 37 °C for both bacteria, at 40 °C for Salmonella and 42 °C for E. coli O157:H7. Growth curves were built by fitting the data to the Baranyi's DMFit, generating R 2 values greater than 0.92 for primary models. Secondary models were fitted with Ratkowsky equations, generating R 2 values higher than 0.91 and RMSE lower than 0.1. Experimental data showed that both bacteria could grow at all temperatures. Also, the growth of both pathogens under non-isothermal conditions was studied simulating temperatures found from harvest to supermarkets in Brazil. Models were analysed by R 2 , RMSE, bias factor (Bf) and accuracy factor (Af). Salmonella and E. coli O157:H7 were able to grow in this temperature profile and the models could predict the behavior of these microorganisms on lettuce under isothermal and non-isothermal conditions. Based on the results, a negligible growth time (ς) was proposed to provide the time which lettuce could be exposed to a specific temperature and do not present an expressive growth of bacteria. The ς was developed based on Baranyi's primary model equation and on growth potential concept. ς is the value of lag phase added of the time necessary to population grow 0.5 log CFU/g. The ς of lettuce exposed to 37 °C was 1.3 h, while at 5 °C was 3.3 days. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Coronal Loops: Evolving Beyond the Isothermal Approximation

    Science.gov (United States)

    Schmelz, J. T.; Cirtain, J. W.; Allen, J. D.

    2002-05-01

    Are coronal loops isothermal? A controversy over this question has arisen recently because different investigators using different techniques have obtained very different answers. Analysis of SOHO-EIT and TRACE data using narrowband filter ratios to obtain temperature maps has produced several key publications that suggest that coronal loops may be isothermal. We have constructed a multi-thermal distribution for several pixels along a relatively isolated coronal loop on the southwest limb of the solar disk using spectral line data from SOHO-CDS taken on 1998 Apr 20. These distributions are clearly inconsistent with isothermal plasma along either the line of sight or the length of the loop, and suggested rather that the temperature increases from the footpoints to the loop top. We speculated originally that these differences could be attributed to pixel size -- CDS pixels are larger, and more `contaminating' material would be expected along the line of sight. To test this idea, we used CDS iron line ratios from our data set to mimic the isothermal results from the narrowband filter instruments. These ratios indicated that the temperature gradient along the loop was flat, despite the fact that a more complete analysis of the same data showed this result to be false! The CDS pixel size was not the cause of the discrepancy; rather, the problem lies with the isothermal approximation used in EIT and TRACE analysis. These results should serve as a strong warning to anyone using this simplistic method to obtain temperature. This warning is echoed on the EIT web page: ``Danger! Enter at your own risk!'' In other words, values for temperature may be found, but they may have nothing to do with physical reality. Solar physics research at the University of Memphis is supported by NASA grant NAG5-9783. This research was funded in part by the NASA/TRACE MODA grant for Montana State University.

  9. Sorption of Pb2+ from Aqueous Solution unto Modified Rice Husk: Isotherms Studies

    Directory of Open Access Journals (Sweden)

    A. O. Dada

    2013-01-01

    Full Text Available Investigation of the sorption potential of rice husk, an agricultural waste, as an adsorbent was carried out. The rice husk was modified with orthophosphoric acid and was used for adsorption of lead (II ions (Pb2+ from aqueous solution. Physicochemical properties of the modified rice husk were determined. Equilibrium sorption data were confirmed with Langmuir, Freundlich and Temkin adsorption isotherms. On the basis of adsorption isotherm graphs, R2 values were determined to be 0.995, 0.916, and 0.797 for Langmuir, Temkin, and Freundlich isotherms, respectively, indicating that the data fitted well into the adsorption isotherms, but Langmuir isotherm is a better model. The maximum monolayer coverage from Langmuir studies, Qmax=138.89 mg/g, Langmuir isotherm constant, KL=0.699 L/mg, and the separation factor, RL=1.41×10−2 at 100 mg/L of lead(II ions indicating that the sorption process, was favourable. The suitability of modified rice husk as an adsorbent for the removal of lead ions from aqueous solution and its potential for pollution control is established.

  10. Isotopically exchangeable phosphorus as a correction value to adsorption isotherms

    International Nuclear Information System (INIS)

    Lopez, S.C.; Barbaro, N.O.; Rojas de Tramontini, S.L.; Martini, O.

    1984-01-01

    Adsorption isotherms in evaluation and characterization of soils are studied. The quantity of phosphorus present at first in soil, evaluated by radioisotopic techniques and used in correction of Langmuir and Freundlich isotherms, is discussed. (M.A.C.) [pt

  11. Lattice Boltzmann method for weakly ionized isothermal plasmas

    International Nuclear Information System (INIS)

    Li Huayu; Ki, Hyungson

    2007-01-01

    In this paper, a lattice Boltzmann method (LBM) for weakly ionized isothermal plasmas is presented by introducing a rescaling scheme for the Boltzmann transport equation. Without using this rescaling, we found that the nondimensional relaxation time used in the LBM is too large and the LBM does not produce physically realistic results. The developed model was applied to the electrostatic wave problem and the diffusion process of singly ionized helium plasmas with a 1-3% degree of ionization under an electric field. The obtained results agree well with theoretical values

  12. Isothermal calorimetry on enzymatic biodiesel production

    DEFF Research Database (Denmark)

    Fjerbæk, Lene

    2008-01-01

    information about effects taking place when using lipases immobilized on an inert carrier for transesterification of a triglyceride and an alcohol as for biodiesel production. The biodiesel is produced by rapeseed oil and methanol as well as ethanol and a commercial biocatalyst Novozym 435 from Novozymes...... containing a Candida Antarctica B lipase immobilized on an acrylic resin. The reaction investigated is characterized by immiscible liquids (oil, methanol, glycerol and biodiesel) and enzymes imm. on an inert carrier during reaction, which allows several effects to take place that during normal reaction...... conditions can not be elucidated. These effects have been observed with isothermal calorimetry bringing forth new information about the reaction of enzymes catalyzing transesterification. Enzymatic biodiesel production has until now not been investigated with isothermal microcalorimetry, but the results...

  13. Fragmentation in rotating isothermal protostellar clouds

    International Nuclear Information System (INIS)

    Bodenheimer, P.; Black, D.C.

    1980-01-01

    In this paper we report briefly the results of an extensive set of 3-D hydrodynamic calculations that have been performed during the past two and one-half years to investigate the susceptibility of rotating clouds to gravitational fragmentation. Because of the immensity of parameter space and the expense of computations, we have chosen to restrict this investigation to strictly isothermal collapse sequences. (orig./WL)

  14. Kinetics of coal liquefaction during heating-up and isothermal stages

    Energy Technology Data Exchange (ETDEWEB)

    Xian Li; Haoquan Hu; Shengwei Zhu; Shuxun Hu; Bo Wu; Meng Meng [Dalian University of Technology, Dalian (China). Institute of Coal Chemical Engineering

    2008-04-15

    Direct liquefaction of Shenhua bituminous coal was carried out in a 500 ml autoclave with iron catalyst and coal liquefaction cycle-oil as solvent at initial hydrogen of 8.0 MPa, residence time of 0-90 min. To investigate the liquefaction kinetics, a model for heating-up and isothermal stages was developed to estimate the rate constants of both stages. In the model, the coal was divided into three parts, easy reactive part, hard reactive part and unreactive part, and four kinetic constants were used to describe the reaction mechanism. The results showed that the model is valid for both heating-up and isothermal stages of liquefaction perfectly. The rate-controlled process for coal liquefaction is the reaction of preasphaltene plus asphaltene (PAA) to oil plus gas (O + G). The upper-limiting conversion of isothermal stage was estimated by the kinetic calculation. 21 refs., 4 figs., 4 tabs.

  15. Kinetic and isotherm studies of Cu(II) biosorption onto valonia tannin resin

    Energy Technology Data Exchange (ETDEWEB)

    Sengil, I. Ayhan [Department of Environmental Engineering, Engineering Faculty, Sakarya University, 54100 Sakarya (Turkey)], E-mail: asengil@sakarya.edu.tr; Ozacar, Mahmut [Department of Chemistry, Science and Arts Faculty, Sakarya University, 54100 Sakarya (Turkey); Tuerkmenler, Harun [Institute of Sciences and Technology, Sakarya University, 54040 Sakarya (Turkey)

    2009-03-15

    The biosorption of Cu(II) from aqueous solutions by valonia tannin resin was investigated as a function of particle size, initial pH, contact time and initial metal ion concentration. The aim of this study was to understand the mechanisms that govern copper removal and find a suitable equilibrium isotherm and kinetic model for the copper removal in a batch reactor. The experimental isotherm data were analysed using the Langmuir, Freundlich and Temkin equations. The equilibrium data fit well in the Langmuir isotherm. The experimental data were analysed using four sorption kinetic models - the pseudo-first- and second-order equations, the Elovich and the intraparticle diffusion model equation - to determine the best fit equation for the biosorption of copper ions onto valonia tannin resin. Results show that the pseudo-second-order equation provides the best correlation for the biosorption process, whereas the Elovich equation also fits the experimental data well.

  16. Nonequilibrium steady state of biochemical cycle kinetics under non-isothermal conditions

    Science.gov (United States)

    Jin, Xiao; Ge, Hao

    2018-04-01

    The nonequilibrium steady state of isothermal biochemical cycle kinetics has been extensively studied, but that under non-isothermal conditions has been much less extensively investigated. When the heat exchange between subsystems is slow, the isothermal assumption of the whole system breaks down, as is true for many types of living organisms. Here, starting with a four-state model of molecular transporter across the cell membrane, we generalize the nonequilibrium steady-state theory of isothermal biochemical cycle kinetics to the circumstances with non-uniform temperatures of subsystems in terms of general master equation models. We obtain a new thermodynamic relationship between the chemical reaction rates and thermodynamic potentials in non-isothermal circumstances, based on the overdamped dynamics along the continuous reaction coordinate. We show that the entropy production can vary up to 3% in real cells, even when the temperature difference across the cell membrane is only approximately 1 K. We then decompose the total thermodynamic driving force into its thermal and chemical components and predict that the net flux of molecules transported by the molecular transporter can potentially go against the temperature gradient in the absence of a chemical driving force. Furthermore, we demonstrate that the simple application of the isothermal transition-state rate formula for each chemical reaction in terms of only the reactant’ temperature is not thermodynamically consistent. Therefore, we mathematically derive several revised reaction rate formulas that are not only consistent with the new thermodynamic relationship but also approximate the exact reaction rate better than Kramers’ rate formula under isothermal conditions.

  17. Estimating Uranium Partition Coefficients from Laboratory Adsorption Isotherms

    International Nuclear Information System (INIS)

    Hull, L.C.; Grossman, C.; Fjeld, R.A.; Coates, J.T.; Elzerman, A.W.

    2002-01-01

    An estimated 330 metric tons of uranium have been buried in the radioactive waste Subsurface Disposal Area (SDA) at the Idaho National Engineering and Environmental Laboratory (INEEL). An assessment of uranium transport parameters is being performed to decrease the uncertainty in risk and dose predictions derived from computer simulations of uranium fate and transport to the underlying Snake River Plain Aquifer. Uranium adsorption isotherms have been measured in the laboratory and fit with a Freundlich isotherm. The Freundlich n parameter was statistically identical for 14 sediment samples. The Freundlich Kf for seven samples, where material properties have been measured, is correlated to sediment surface area. Based on these empirical observations, a model has been derived for adsorption of uranium on INEEL sedimentary materials using surface complexation theory. The model was then used to predict the range of adsorption conditions to be expected at the SDA. Adsorption in the deep vadose zone is predicted to be stronger than in near-surface sediments because the total dissolved carbonate decreases with depth

  18. The kinetic of mass loss of grades A and B of melted TNT by isothermal and non-isothermal gravimetric methods

    Directory of Open Access Journals (Sweden)

    Hamid Reza Pouretedal

    2018-04-01

    Full Text Available The kinetic and activation energy of mass loss of two grades of melted TNT explosive, grade A and grade B, with freezing points of 80.57 and 78.15 °C, respectively, were studied by isothermal and non-isothermal gravimetric methods. In isothermal method, the mass loss of samples in containers of glass and aluminum was followed in temperatures of 80, 90 and 100 °C. The kinetic of the mass loss of the samples in the aluminum container was higher than the kinetic of it in the glass container that can be related to the effects of heat transfer and catalytic of aluminum metal. Also, the presence of impurities in grade B was due to increasing of kinetic of mass loss of it versus grade A. The non-isothermal curves were obtained in range of 30–330 °C at heating rates of 10, 15 and 20 °C⋅min−1. The TG/DTG data were used for determination of activation energy (Ea of mass loss of TNT samples upon degradation by using Ozawa, Kissinger, Ozawa-Flynn-Wall (OFW and Kissinger-Akahira-Sunose (KAS methods as model free methods. The activation energies of grades of A and B of TNT was obtained 99–120 and 66–70 kJ mol−1, respectively. The lower values of activation energy of the degradation reaction of grade B confirm the effect of impurities in the kinetics of mass loss of this grade. Keywords: TNT, Isothermal, Non-isothermal, Kinetic, Mass loss

  19. Proton and Copper Binding to Humic Acids Analyzed by XAFS Spectroscopy and Isothermal Titration Calorimetry

    NARCIS (Netherlands)

    Xu, Jinling; Koopal, Luuk K.; Fang, Linchuan; Xiong, Juan; Tan, Wenfeng

    2018-01-01

    Proton and copper (Cu) binding to soil and lignite-based humic acid (HA) was investigated by combining X-ray absorption fine structure (XAFS) spectroscopy, isothermal titration calorimetry (ITC), and nonideal-competitive-adsorption (NICA) modeling. NICA model calculations and XAFS results showed

  20. Typical parameters of the plasma chemical similarity in non-isothermal reactive plasmas

    International Nuclear Information System (INIS)

    Gundermann, S.; Jacobs, H.; Miethke, F.; Rutsher, A.; Wagner, H.E.

    1996-01-01

    The substance of physical similarity principles is contained in parameters which govern the comparison of different realizations of a model device. Because similarity parameters for non-isothermal plasma chemical reactors are unknown to a great extent, an analysis of relevant equations is given together with some experimental results. Modelling of the reactor and experimental results for the ozone synthesis are presented

  1. Crystallization kinetics of the Cu50Zr50 metallic glass under isothermal conditions

    International Nuclear Information System (INIS)

    Gao, Qian; Jian, Zengyun; Xu, Junfeng; Zhu, Man; Chang, Fange; Han, Amin

    2016-01-01

    Amorphous structure of the melt-spun Cu 50 Zr 50 amorphous alloy ribbons were confirmed by X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HR-TEM). Isothermal crystallization kinetics of these alloy ribbons were investigated using differential scanning calorimetry (DSC). Besides, Arrhenius and Johnson-Mehl-Avrami (JMA) equations were utilized to obtain the isothermal crystallization kinetic parameters. As shown in the results, the local activation energy E α decreases by a large margin at the crystallized volume fraction α<0.1, which proves that crystallization process is increasingly easy. In addition, the local activation energy E α is basically constant at 0.1<α<0.9. Therefore, it turns out that the unchanged barrier is overcome in the crystallization process. Finally, E α rapidly decreases at 0.9<α<1, implying that crystallization becomes easier and easier to proceed. Nucleation activation energy E nucleation is greater than growth activation energy E growth , so nucleation is harder than growth in isothermal process. In terms of the local Avrami exponent n(α), it ranges 1.1–7.4, revealing that isothermal crystallization mechanism is interface-controlled one- two- or three-dimensional growth with different nucleation rates. - Graphical abstract: The local Avrami exponent n(α), it ranges 1.1–7.4, revealing that isothermal crystallization mechanism is interface-controlled one- two- or three-dimensional growth with different nucleation rates. - Highlights: • Isothermal crystallization kinetics of Cu 50 Zr 50 metallic glass was investigated. • The relationship between the local activation energy E α and the crystallized volume fraction α were determined. • The nucleation activation energy E nucleation and grain growth activation energy E growth were obtained. • The local Avrami exponent n(α) was calculated in isothermal model.

  2. WATER ADSORPTION AND DESORPTION ISOTHERMS ON MILK POWDER: II. WHOLE MILK

    Directory of Open Access Journals (Sweden)

    Edgar M. Soteras

    2014-03-01

    Full Text Available The aim of this research was the determination of adsorption and desorption isotherms of cow whole milk powder. The experiments have been carried out at 15, 25 and 40 ºC, in ranges of moisture and water activity characteristic of normal conditions in which the processes of drying, packaging and storage are developed. By studying the influence of the temperature on the experimental plots, the isosteric adsorption heat was determined. Experimental data were correlated to the referential model of Guggenheim, Anderson and Boer (GAB. For both, adsorption and desorption, a good model fit was observed. The isotherms showed very similar shapes between them and, by comparing adsorption and desorption isotherms, the phenomenon of hysteresis was confirmed.

  3. Moisture ingress into electronics enclosures under isothermal conditions

    International Nuclear Information System (INIS)

    Staliulionis, Ž.; Jabbari, M.; Hattel, J. H.

    2016-01-01

    The number of electronics used in outdoor environment is constantly growing. The humidity causes about 19 % of all electronics failures and, especially, moisture increases these problems due to the ongoing process of miniaturization and lower power consumption of electronic components. Moisture loads are still not understood well by design engineers, therefore this field has become one of the bottlenecks in the electronics system design. The objective of this paper is to model moisture ingress into an electronics enclosure under isothermal conditions. The moisture diffusion model is based on a 1D quasi-steady state (QSS) approximation for Fick’s second law. This QSS approach is also described with an electrical analogy which gives a fast tool in modelling of the moisture response. The same QSS method is applied to ambient water vapour variations. The obtained results are compared to an analytical solution and very good agreement is found.

  4. Simulation of non-isothermal transient flow in gas pipeline

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira Junior, Luis Carlos; Soares, Matheus; Lima, Enrique Luis; Pinto, Jose Carlos [Coordenacao dos Programas de Pos-graduacao de Engenharia (COPPE/UFRJ), Rio de Janeiro, RJ (Brazil). Programa de Engenharia Quimica; Muniz, Cyro; Pires, Clarissa Cortes; Rochocz, Geraldo [ChemTech, Rio de Janeiro, RJ (Brazil)

    2009-07-01

    Modeling of gas pipeline usually considers that the gas flow is isothermal (or adiabatic) and that pressure changes occur instantaneously (quasi steady state approach). However, these assumptions are not valid in many important transient applications (changes of inlet and outlet flows/pressures, starting and stopping of compressors, changes of controller set points, among others). Besides, the gas properties are likely to depend simultaneously on the pipe position and on the operation time. For this reason, a mathematical model is presented and implemented in this paper in order to describe the gas flow in pipeline when pressure and temperature transients cannot be neglected. The model is used afterwards as a tool for reconciliation of available measured data. (author)

  5. Isothermal deformation of gamma titanium aluminide

    International Nuclear Information System (INIS)

    Srinivasan, R.; Singh, J.P.; Tuval, E.; Weiss, I.

    1996-01-01

    Gamma titanium aluminide has received considerable attention in recent years from the automotive industry as a potential material for making rotating and reciprocating components to produce a quieter and more efficient engine. The objectives of this study were to identify processing routes for the manufacture of automobile valves from gamma titanium aluminide. The issues considered were microstructure and composition of the material, and processing parameters such as deformation rates, temperatures, and total deformation. This paper examines isothermal deformation of gamma titanium aluminide in order to develop a processing window for this type of material

  6. Isothermal calorimetry of enzymatic biodiesel reaction

    DEFF Research Database (Denmark)

    Fjerbæk Søtoft, Lene; Westh, Peter; Christensen, Knud Villy

    2010-01-01

      Isothermal calorimetry ITC has been used to investigate enzymatic biodiesel production. The transesterification of rapeseed oil with methanol and ethanol was catalyzed by the immobilized lipase Novozym 435 at 40°C. The ITC-experiments clearly demonstrate the possibilities of investigating complex...... and composition change in the system, the heat of reaction at 40°C for the two systems has been determined to -9.8 ± 0.9 kJ/mole biodiesel formed from rapeseed oil and methanol, and - 9.3 ± 0.7 kJ/mole when rapeseed oil and ethanol is used....

  7. Moisture sorption isotherms and thermodynamic properties of bovine leather

    Science.gov (United States)

    Fakhfakh, Rihab; Mihoubi, Daoued; Kechaou, Nabil

    2018-04-01

    This study was aimed at the determination of bovine leather moisture sorption characteristics using a static gravimetric method at 30, 40, 50, 60 and 70 °C. The curves exhibit type II behaviour according to the BET classification. The sorption isotherms fitting by seven equations shows that GAB model is able to reproduce the equilibrium moisture content evolution with water activity for moisture range varying from 0.02 to 0.83 kg/kg d.b (0.9898 thermodynamic properties such as isosteric heat of sorption, sorption entropy, spreading pressure, net integral enthalpy and entropy. Net isosteric heat of sorption and differential entropy were evaluated through direct use of moisture isotherms by applying the Clausius-Clapeyron equation and used to investigate the enthalpy-entropy compensation theory. Both sorption enthalpy and entropy for desorption increase to a maximum with increasing moisture content, and then decrease sharply with rising moisture content. Adsorption enthalpy decreases with increasing moisture content. Whereas, adsorption entropy increases smoothly with increasing moisture content to a maximum of 6.29 J/K.mol. Spreading pressure increases with rising water activity. The net integral enthalpy seemed to decrease and then increase to become asymptotic. The net integral entropy decreased with moisture content increase.

  8. Adsorption of 4-chlorophenol from aqueous solutions by xad-4 resin: Isotherm, kinetic, and thermodynamic analysis

    International Nuclear Information System (INIS)

    Bilgili, M. Sinan

    2006-01-01

    Removal of 4-chlorophenol (4-CP) from synthetic aqueous solutions through adsorption on Amberlite XAD-4 resin, a non-ionic macroreticular resins, under batch equilibrium experimental conditions at 298, 308 and 318 K was investigated. It is necessary to propose a suitable model to a better understanding on the mechanism of 4-CP adsorption. For this purpose, Langmiur, Freundlich, Toth, and Redlich-Peterson (RP) isotherm models were compared. The two and three parameters in the adopted adsorption isotherm models were determined by the help of MATLAB package program. It was determined that best fitted adsorption isotherm models were obtained to be in the order: Redlich-Peterson > Langmuir > Toth > Freundlich isotherms. The pseudo-second-order kinetic model provided the best correlation to the experimental results. Results of the intra-particle diffusion model show that the pore diffusion is not the only rate limiting step. The lower correlation of the data to the Bangham's equation also represents that the diffusion of the adsorbate into pores of the sorbent is not the only rate-controlling step. The thermodynamic constants of adsorption phenomena; ΔG o , ΔH o , and ΔS o were found as -4.17 (at 298 K) kJ/mol, -42.01 kJ/mol, and -0.127 kJ/(mol K), respectively. The results showed that adsorption of 4-CP on Amberlite XAD-4, a nonionic polymeric resin was exothermic and spontaneous

  9. Thermodynamic investigations of protein's behaviour with ionic liquids in aqueous medium studied by isothermal titration calorimetry.

    Science.gov (United States)

    Bharmoria, Pankaj; Kumar, Arvind

    2016-05-01

    While a number of reports appear on ionic liquids-proteins interactions, their thermodynamic behaviour using suitable technique like isothermal titration calorimetry is not systematically presented. Isothermal titration calorimetry (ITC) is a key technique which can directly measure the thermodynamic contribution of IL binding to protein, particularly the enthalpy, heat capacities and binding stoichiometry. Ionic liquids (ILs), owing to their unique and tunable physicochemical properties have been the central area of scientific research besides graphene in the last decade, and growing unabated. Their encounter with proteins in the biological system is inevitable considering their environmental discharge though most of them are recyclable for a number of cycles. In this article we will cover the thermodynamics of proteins upon interaction with ILs as osmolyte and surfactant. The up to date literature survey of IL-protein interactions using isothermal titration calorimetry will be discussed and parallel comparison with the results obtained for such studies with other techniques will be highlighted to demonstrate the accuracy of ITC technique. Net stability of proteins can be obtained from the difference in the free energy (ΔG) of the native (folded) and denatured (unfolded) state using the Gibbs-Helmholtz equation (ΔG=ΔH-TΔS). Isothermal titration calorimetry can directly measure the heat changes upon IL-protein interactions. Calculation of other thermodynamic parameters such as entropy, binding constant and free energy depends upon the proper fitting of the binding isotherms using various fitting models. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Evolution of the Cerro Prieto geothermal system as interpreted from vitrinite reflectance under isothermal conditions

    Energy Technology Data Exchange (ETDEWEB)

    Barker, C.E. (US Geological Survey, Denver, CO); Pawlewicz, M.J.; Bostick, N.H.; Elders, W.A.

    1981-01-01

    Temperature estimates from reflectance data in the Cerro Prieto system correlate with modern temperature logs and temperature estimates from fluid inclusion and oxygen isotope geothermometry indicating that the temperature in the central portion of the Cerro Prieto System is now at its historical maximum. Isoreflectance lines formed by contouring vitrinite reflectance data for a given isothermal surface define an imaginary surface that indicates an apparent duration of heating in the system. The 250/sup 0/C isothermal surface has a complex dome-like form suggesting a localized heat source that has caused shallow heating in the central portion of this system. Isoreflectance lines relative to this 250/sup 0/C isothermal surface define a zone of low reflectance roughly corresponding to the crest of the isothermal surface. Comparison of these two surfaces suggest that the shallow heating in the central portion of Cerro Prieto is young relative to the heating (to 250/sup 0/C) on the system margins. Laboratory and theoretical models of hydrothermal convection cells suggest that the form of the observed 250/sup 0/C isothermal surface and the reflectance surface derived relative to it results from the convective rise of thermal fluids under the influence of a regional hydrodynamic gradient that induces a shift of the hydrothermal heating effects to the southwest.

  11. Isothermal and non-isothermal conditions of isotope separation by chemical exchange method

    International Nuclear Information System (INIS)

    Khoroshilov, A.V.; Andreev, B.M.; Katalnikov, S.G.

    1992-01-01

    The published data about the effect of temperature on thermodynamic and mass transfer parameters of isotope separation by the chemical exchange method were used to examine the influence of iso- and non-isothermal conditions on the effectiveness of the separation process. It has been shown that simultaneous fulfillment of several optimization criteria is impossible in optimization of the isothermal process. If the limitation that temperature must be constant in the whole range of concentrational changes for an isolated isotope is removed, then it is possible to solve the problem of optimization with simultaneous fulfillment of several optimization criteria. When the separation process is carried out with non-isothermal conditions, that is, in temperature cascade, then the maximum concentration change takes place at every theoretical separation plate, and whole cascade is characterised by maximum throughput, minimum height and volume, and minimum cost for the stream reflux. From the results of our study, it was concluded that in the optimum temperature cascade, the cost of production of unity quantity of isotope can be decreased at least by a factor of two as compared with the optimal isothermal version of the separation process. (author)

  12. Thermodynamics of Surfactants, Block Copolymers and Their Mixtures in Water: The Role of the Isothermal Calorimetry

    Science.gov (United States)

    De Lisi, Rosario; Milioto, Stefania; Muratore, Nicola

    2009-01-01

    The thermodynamics of conventional surfactants, block copolymers and their mixtures in water was described to the light of the enthalpy function. The two methodologies, i.e. the van’t Hoff approach and the isothermal calorimetry, used to determine the enthalpy of micellization of pure surfactants and block copolymers were described. The van’t Hoff method was critically discussed. The aqueous copolymer+surfactant mixtures were analyzed by means of the isothermal titration calorimetry and the enthalpy of transfer of the copolymer from the water to the aqueous surfactant solutions. Thermodynamic models were presented to show the procedure to extract straightforward molecular insights from the bulk properties. PMID:19742173

  13. Isothermal martensite formation at sub-zero temperatures

    DEFF Research Database (Denmark)

    Stojko, Allan; Hansen, Mikkel Fougt; Slycke, Jan

    2010-01-01

    austenitized and quenched in oil and thereafter investigated with vibrating sample agnetometry, which allows a quantitative assessment of the fraction of retained austenite as a function of the subzero temperature and time. Isothermal martensite formation was observed on interrupting the continuous cooling (5...... with a continuation of the martensitic transformation. On prolonged isothermal holding a volume reduction was observed for AISI 52100, but not for AISI 1070. A mechanism is proposed that explains the occurrence of isothermal martensite formation....

  14. Water Adsorption Isotherms on Fly Ash from Several Sources.

    Science.gov (United States)

    Navea, Juan G; Richmond, Emily; Stortini, Talia; Greenspan, Jillian

    2017-10-03

    In this study, horizontal attenuated total reflection (HATR) Fourier-transform infrared (FT-IR) spectroscopy was combined with quartz crystal microbalance (QCM) gravimetry to investigate the adsorption isotherms of water on fly ash, a byproduct of coal combustion in power plants. Because of composition variability with the source region, water uptake was studied at room temperature as a function of relative humidity (RH) on fly ash from several regions: United States, India, The Netherlands, and Germany. The FT-IR spectra show water features growth as a function of RH, with water absorbing on the particle surface in both an ordered (ice-like) and a disordered (liquid-like) structure. The QCM data was modeled using the Brunauer, Emmett, and Teller (BET) adsorption isotherm model. The BET model was found to describe the data well over the entire range of RH, showing that water uptake on fly ash takes place mostly on the surface of the particle, even for poorly combusted samples. In addition, the source region and power-plant efficiency play important roles in the water uptake and ice nucleation (IN) ability of fly ash. The difference in the observed water uptake and IN behavior between the four samples and mullite (3Al 2 O 3 ·2SiO 2 ), the aluminosilicate main component of fly ash, is attributed to differences in composition and the density of OH binding sites on the surface of each sample. A discussion is presented on the RH required to reach monolayer coverage on each sample as well as a comparison between surface sites of fly ash samples and enthalpies of adsorption of water between the samples and mullite.

  15. Determination of Kinetic and Thermodynamic Parameters that Describe Isothermal Seed Germination: A Student Research Project.

    Science.gov (United States)

    Hageseth, Gaylord T.

    1982-01-01

    Describes a project for students to collect and fit data to a theoretical mathematical model that describes the rate of isothermal seed germination, including activation energy for substrate and produce and the autocatalytic reaction, and changes in enthalpy, entropy, and the Gibb's free energy. (Author/SK)

  16. Pressure-area isotherm of a lipid monolayer from molecular dynamics simulations

    NARCIS (Netherlands)

    Baoukina, Svetlana; Monticelli, Luca; Marrink, Siewert J.; Tieleman, D. Peter

    2007-01-01

    We calculated the pressure-area isotherm of a dipalmitoyl-phosphatidylcholine (DPPC) lipid monolayer from molecular dynamics simulations using a coarse-grained molecular model. We characterized the monolayer structure, geometry, and phases directly from the simulations and compared the calculated

  17. Isothermal and non-isothermal cure of a tri-functional epoxy resin (TGAP): a stochastic TMDSC study

    OpenAIRE

    Hutchinson, John M.; Shiravand, Fatemeh; Calventus Solé, Yolanda; Fraga Rivas, Iria

    2012-01-01

    The isothermal cure of a highly reactive tri-functional epoxy resin, tri-glycidyl para-amino phenol (TGAP), with diamino diphenyl sulphone (DDS), at two different cure temperatures Tc has been studied by both conventional differential scanning calorimetry (DSC) and by a stochastic temperature modulated DSC technique, TOPEM. From a series of isothermal cure experiments for increasing cure times, the glass transition temperature Tg as a function of isothermal cure time is determined by co...

  18. A numerical study of non-isothermal turbulent coaxial jets

    Energy Technology Data Exchange (ETDEWEB)

    Kriaa, Wassim; Abderrazak, Kamel; Mhiri, Hatem [Ecole Nationale d' Ingenieurs de Monastir, Laboratoire de Mecanique des Fluides et Thermique, Monastir (Tunisia); Palec, Georges le; Bournot, Philippe [Institut de Mecanique de Marseille, Marseille (France)

    2008-07-15

    In this work, we propose to study non isothermal air-air coaxial jets with two different approaches: parabolic and elliptic approaches. The standard k-{epsilon} model and the RSM model were applied in this study. The numerical resolution of the equations governing this flow type was carried out for: the parabolic approach, by a ''home-made'' CFD code based on a finite difference method, and the elliptic approach by an industrial code (FLUENT) based on a finite volume method. In forced convection mode (Fr={infinity}), the two turbulence models are valid for the prediction of the mean flow. But for turbulent sizes, k-{epsilon} model gives results closer to those achieved in experiments compared to RSM Model. Concerning the limit of validity of the parabolic and elliptic approaches, we showed that for velocities ratio r lower than 1, the results of the two approaches were satisfactory. On the other hand, for r>1, the difference between the results became increasingly significant. In mixed convection mode (Fr{approx_equal}20), the results obtained by the two turbulence models for the mean axial velocity were very different even in the plume region. For the temperature and the turbulent sizes the two models give satisfactory results which agree well with the correlations suggested by the experimenters for X{>=}20. Thus, the second order model with {sigma}{sub t}=0.85 is more effective for a coaxial jet study in a mixed convection mode. (orig.)

  19. Gas-phase formaldehyde adsorption isotherm studies on activated carbon: correlations of adsorption capacity to surface functional group density.

    Science.gov (United States)

    Carter, Ellison M; Katz, Lynn E; Speitel, Gerald E; Ramirez, David

    2011-08-01

    Formaldehyde (HCHO) adsorption isotherms were developed for the first time on three activated carbons representing one activated carbon fiber (ACF) cloth, one all-purpose granular activated carbon (GAC), and one GAC commercially promoted for gas-phase HCHO removal. The three activated carbons were evaluated for HCHO removal in the low-ppm(v) range and for water vapor adsorption from relative pressures of 0.1-0.9 at 26 °C where, according to the IUPAC isotherm classification system, the adsorption isotherms observed exhibited Type V behavior. A Type V adsorption isotherm model recently proposed by Qi and LeVan (Q-L) was selected to model the observed adsorption behavior because it reduces to a finite, nonzero limit at low partial pressures and it describes the entire range of adsorption considered in this study. The Q-L model was applied to a polar organic adsorbate to fit HCHO adsorption isotherms for the three activated carbons. The physical and chemical characteristics of the activated carbon surfaces were characterized using nitrogen adsorption isotherms, X-ray photoelectron spectroscopy (XPS), and Boehm titrations. At low concentrations, HCHO adsorption capacity was most strongly related to the density of basic surface functional groups (SFGs), while water vapor adsorption was most strongly influenced by the density of acidic SFGs.

  20. Tunneling in cosmology and isothermal inflation

    International Nuclear Information System (INIS)

    Brout, R.; Spindel, P.

    1991-01-01

    The wave function for the universe, as proposed by Hartle and Hawking, experiences tunneling for small values of the radius of the universe. This induces thermal effects and so a hot big bang. We first give a detailed analysis of the observer accelerating in Minkowski space in terms of the tunneling of his wave function beyond his turning point. Applied to cosmology one finds a temperature at the big bang equal to the Gibbons-Hawking value. The residual thermal effects which result in an isothermal inflationary expansion give rise to a renormalized self-consistently determined Hubble constant (and hence Gibbons-Hawking temperature) through the trace anomaly. A thermodynamic interpretation is given. These results militate against phase transitions as a motor for inflation. (orig.)

  1. Desorption isotherms of heavy (AZOBE, EBONY) and light heavyweight tropical woods (IROKO, SAPELLI) of Cameroon

    Science.gov (United States)

    Nsouandélé, J. L.; Tamba, J. G.; Bonoma, B.

    2018-04-01

    This work is centered on the study of the desorption isotherms of heavy (Azobe, Ebony) and heavyweight (Iroko, Sapelli) tropical woods, which contribute in the determination of drying and storage of tropical plank woods. Desorption isotherms of tropical woods were experimentally determined under different temperatures in this study using the gravimetric method. The determination of Henderson's model isotherms parameters of desorption were obtained for temperatures of 20 °C, 30 °C, 40 °C, and 50 °C. The mean relative deviation between theoretical and experimental moisture contents was calculated and fitted well with the desorption models of tropical woods. We noticed that Henderson models fitted much better with experimental ones for 95% of relative humidity. The sigmoid shapes of results are satisfactory. Hysteresis phenomenon was observed for desorption isotherms of heavy (Azobe, Ebony) and heavyweight (Iroko, Sapelli) tropical woods. Results showed the difference between the stability and use of heavy and heavyweight tropical wood. These results help in the estimation of water content at equilibrium of tropical woods in relative humidity from experimented ones. Hygroscopic equilibrium humidity of heavy tropical woods varied between 0% and 50% while those of heavyweight varied between 0% and 25%. Therefore, these woods can be used in an opened environment; woodwork and decoration.

  2. Isothermal equation of state of a lithium fluoride single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Kim, K.Y.

    1975-01-01

    An isothermal equation of state of a LiF single crystal was determined from length change measurements of the specimen as a function of hydrostatic pressure up to approximately 7 kbars at 28 to 41/sup 0/C. The length change was measured with an accuracy of approximately 500 A by using a Fabry Perot type He--Ne laser interferometer for a 1-m long specimen at temperatures constant to less than 0.002/sup 0/C. Several two- and three-parameter equations of state were used in analyzing the measured pressure-volume data. The computer fit for each equation of state determines not only the value of its parameters but also the standard deviations associated with them and one dependent variable, either pressure or volume. With the parameters determined, the equations of state are extrapolated to approximately 5 megabars in order to see discrepancies. Using the Born model of ionic solids, two equations of state were derived both from a power law potential and from an exponential form for the repulsive energy of alkali metal halides and used to fit the pressure-volume data of a LiF single crystal. They are also extrapolated to approximately 5 megabars. The Birch's two-parameter equation and the Grover, Getting, and Kennedy equation are indistinguishable from the two equations of state derived from the Born model for pressures approximately equal to or less than 800 kbars within +-20 kbars. The above four equations of state also fit closely the Pagannone and Drickamer static compression data, the Christian shock wave data, and the Kormer et al. shock wave data. The isothermal bulk modulus and its first pressure derivative at atmospheric pressure and 28.83/sup 0/C are 664.5 +- 0.5 kbars and 5.40 +- 0.18, respectively, in close agreement with those values ultrasonically measured by R. A. Miller and C. S. Smith. (auth)

  3. Removal Rate of Organic Matter Using Natural Cellulose via Adsorption Isotherm and Kinetic Studies.

    Science.gov (United States)

    Din, Mohd Fadhil Md; Ponraj, Mohanadoss; Low, Wen-Pei; Fulazzaky, Mohamad Ali; Iwao, Kenzo; Songip, Ahmad Rahman; Chelliapan, Shreeshivadasan; Ismail, Zulhilmi; Jamal, Mohamad Hidayat

    2016-02-01

    In this study, the removal of natural organic matter (NOM) using coconut fiber (CF) and palm oil fiber (POF) was investigated. Preliminary analysis was performed using a jar test for the selection of optimal medium before the fabricated column model experiment. The equilibrium studies on isotherms and kinetic models for NOM adsorption were analyzed using linearized correlation coefficient. Results showed that the equilibrium data were fitted to Langmuir isotherm model for both CF and POF. The most suitable adsorption model was the pseudo-first-order kinetic model for POF and pseudo-second-order kinetic model for CF. The adsorption capacities achieved by the CF and POF were 15.67 and 30.8 mg/g respectively. Based on this investigation, it can be concluded that the POF is the most suitable material for the removal of NOM in semi polluted river water.

  4. Financial Statement Audit Report of Isothermal Community College.

    Science.gov (United States)

    Campbell, Ralph

    This report presents the results of the Isothermal Community College financial statement audit for the fiscal year ending on June 30, 1998. Isothermal Community College is a component of the State of North Carolina, thus the authority to audit is granted by Article 5A of G.S. 147. The accounts and operations of the institution were subject to…

  5. Interpretation of Quasi-Isothermal Thermogravimetric Weight Curves

    DEFF Research Database (Denmark)

    Sørensen, Ole Toft

    1979-01-01

    Quasi-isothermal analysis (QIA) is a very useful technique. Compared to conventional non-isothermal thermogravimetry, close-lying reactions can easily be separated by use of this method and kinetic data can be obtained for each intermediate reaction in a single run. This paper discusses the shape...

  6. New Theoretical Expressions for the Five Adsorption Type Isotherms ...

    African Journals Online (AJOL)

    New Theoretical Expressions for the Five Adsorption Type Isotherms Classified by Bet Basing on Statistical Physics Treatment. ... that we have proposed, basing on statistical physics treatment, are rather powerful to better understand and interpret the various five physical adsorption Type isotherms at a microscopic level.

  7. Natural convection in a horizontal channel provided with heat generating blocks: Discussion of the isothermal blocks validity

    International Nuclear Information System (INIS)

    Mouhtadi, D.; Amahmid, A.; Hasnaoui, M.; Bennacer, R.

    2012-01-01

    Highlights: ► We examine the validity of isothermal model for blocks with internal heat generation. ► Criteria based on comparison of total and local quantities are adopted. ► Thermal conductivity and Biot number required for the validity of the isothermal model are dependent on the Rayleigh number. ► The validity conditions are also affected by the multiplicity of solutions. - Abstract: This work presents a numerical study of air natural convection in a horizontal channel provided with heating blocks periodically distributed on its lower adiabatic surface. The blocks are submitted to a uniform heat generation and the channel upper surface is maintained at a cold constant temperature. The main objective of this study is to examine the validity of the model with isothermal blocks for the system under consideration. Then the calculations are performed using two different models. In the first (denoted Model 1 or M1) the calculations are performed by imposing a uniform volumetric heat generation inside the blocks. In the second model (denoted Model 2 or M2), the blocks are maintained isothermal at the average blocks surface temperature deduced from the Model 1. The controlling parameters of the present problem are the thermal conductivity ratio of the solid block and the fluid (0.1 ⩽ k* = k s /k a ⩽ 200) and the Rayleigh number (10 4 ⩽ Ra ⩽ 10 7 ). The validity of the isothermal model is examined for various Ra by using criteria based on local and mean heat transfer characteristics. It is found that some solutions of the isothermal model do not reproduce correctly the results of the first model even for very large conductivity ratios. The Biot number below which the Model 2 is valid depends strongly on the Rayleigh number and the type of solution.

  8. Adsorption isotherm special study. Final report

    International Nuclear Information System (INIS)

    1993-05-01

    The study was designed to identify methods to determine adsorption applicable to Uranium Mill Tailings Remedial Action (UMTRA) Project sites, and to determine how changes in aquifer conditions affect metal adsorption, resulting retardation factors, and estimated contaminant migration rates. EPA and ASTM procedures were used to estimate sediment sorption of U, As, and Mo under varying groundwater geochemical conditions. Aquifer matrix materials from three distinct locations at the DOE UMTRA Project site in Rifle, CO, were used as the adsorbents under different pH conditions; these conditions stimulated geochemical environments under the tailings, near the tailings, and downgradient from the tailings. Grain size, total surface area, bulk and clay mineralogy, and petrography of the sediments were characterized. U and Mo yielded linear isotherms, while As had nonlinear ones. U and Mo were adsorbed strongly on sediments acidified to levels similar to tailings leachate. Changes in pH had much less effect on As adsorption. Mo was adsorbed very little at pH 7-7.3, U was weakly sorbed, and As was moderately sorbed. Velocities were estimated for metal transport at different pHs. Results show that the aquifer materials must be characterized to estimate metal transport velocities in aquifers and to develop groundwater restoration strategies for the UMTRA project

  9. Isothermal thermogravimetric data acquisition analysis system

    Science.gov (United States)

    Cooper, Kenneth, Jr.

    1991-01-01

    The description of an Isothermal Thermogravimetric Analysis (TGA) Data Acquisition System is presented. The system consists of software and hardware to perform a wide variety of TGA experiments. The software is written in ANSI C using Borland's Turbo C++. The hardware consists of a 486/25 MHz machine with a Capital Equipment Corp. IEEE488 interface card. The interface is to a Hewlett Packard 3497A data acquisition system using two analog input cards and a digital actuator card. The system provides for 16 TGA rigs with weight and temperature measurements from each rig. Data collection is conducted in three phases. Acquisition is done at a rapid rate during initial startup, at a slower rate during extended data collection periods, and finally at a fast rate during shutdown. Parameters controlling the rate and duration of each phase are user programmable. Furnace control (raising and lowering) is also programmable. Provision is made for automatic restart in the event of power failure or other abnormal terminations. Initial trial runs were conducted to show system stability.

  10. Isothermal recovery rates in shape memory polyurethanes

    International Nuclear Information System (INIS)

    Azra, Charly; Plummer, Christopher J G; Månson, Jan-Anders E

    2011-01-01

    This work compares the time dependence of isothermal shape recovery in thermoset and thermoplastic shape memory polyurethanes (SMPUs) with comparable glass transition temperatures. In each case, tensile tests have been used to quantify the influence of various thermo-mechanical programming parameters (deformation temperature, recovery temperature, and stress and storage times following the deformation step) on strain recovery under zero load (free recovery) and stress recovery under fixed strain (constrained recovery). It is shown that the duration of the recovery event may be tuned over several decades of time with an appropriate choice of programming parameters, but that there is a trade-off between the rate of shape recovery and the recoverable stress level. The results are discussed in terms of the thermal characteristics of the SMPUs in the corresponding temperature range as characterized by modulated differential scanning calorimetry and dynamic mechanical analysis, with the emphasis on the role of the effective width of the glass transition temperature and the stability of the network that gives rise to the shape memory effect. (fast track communication)

  11. Prediction of water vapour sorption isotherms and microstructure of hardened Portland cement pastes

    International Nuclear Information System (INIS)

    Burgh, James M. de; Foster, Stephen J.; Valipour, Hamid R.

    2016-01-01

    Water vapour sorption isotherms of cementitious materials reflect the multi-scale physical microstructure through its interaction with moisture. Our ability to understand and predict adsorption and desorption behaviour is essential in the application of modern performance-based approaches to durability analysis, along with many other areas of hygro-mechanical and hygro-chemo-mechanical behaviour. In this paper, a new physically based model for predicting water vapour sorption isotherms of arbitrary hardened Portland cement pastes is presented. Established thermodynamic principles, applied to a microstructure model that develops with hydration, provide a rational basis for predictions. Closed-form differentiable equations, along with a rational consideration of hysteresis and scanning phenomena, makes the model suitable for use in numerical moisture simulations. The microstructure model is reconciled with recently published 1 H NMR and mercury intrusion porosimetry results.

  12. Study on isothermal precision forging process of rare earth intensifying magnesium alloy

    International Nuclear Information System (INIS)

    Shan, Debin; Xu, Wenchen; Han, Xiuzhu; Huang, Xiaolei

    2012-01-01

    A three dimensional rigid-plastic finite element model is established to simulate the isothermal precision forging process of the magnesium alloy bracket based on DEFORM 3D in order to analyze the material flow rule and determine the forging process scheme. Some problems such as underfilling and too large forging pressure are predicted and resolved through optimizing the shapes of the billet successfully. Compared to the initial microstructure, the isothermal-forged microstructure of the alloy refines obviously and amounts of secondary phases precipitate on the matrix during isothermal forging process. In subsequent ageing process, large quantities of secondary phases precipitate from α-Mg matrix with increasing ageing time. The optimal comprehensive mechanical properties of the alloy have been obtained after aged at 473 K, 63 h with the ultimate tensile strength, tensile yield strength and elongation 380 MPa, 243 MPa and 4.07% respectively, which shows good potential for application of isothermal forging process of rare earth intensifying magnesium alloy.

  13. Total Correlation Function Integrals and Isothermal Compressibilities from Molecular Simulations

    DEFF Research Database (Denmark)

    Wedberg, Rasmus; Peters, Günther H.j.; Abildskov, Jens

    2008-01-01

    Generation of thermodynamic data, here compressed liquid density and isothermal compressibility data, using molecular dynamics simulations is investigated. Five normal alkane systems are simulated at three different state points. We compare two main approaches to isothermal compressibilities: (1...... in approximately the same amount of time. This suggests that computation of total correlation function integrals is a route to isothermal compressibility, as accurate and fast as well-established benchmark techniques. A crucial step is the integration of the radial distribution function. To obtain sensible results...

  14. Direct measurement of the lethal isotherm for radiofrequency ablation of myocardial tissue.

    Science.gov (United States)

    Wood, Mark; Goldberg, Scott; Lau, Melissa; Goel, Aneesh; Alexander, Daniel; Han, Frederick; Feinstein, Shawn

    2011-06-01

    The lethal isotherm for radiofrequency catheter ablation of cardiac myocardium is widely accepted to be 50°C, but this has not been directly measured. The purpose of this study was to directly measure the tissue temperature at the edge of radiofrequency lesions in real time using infrared thermal imaging. Fifteen radiofrequency lesions of 6 to 240 seconds in duration were applied to the left ventricular surface of isolated perfused pig hearts. At the end of radiofrequency delivery, a thermal image of the tissue surface was acquired with an infrared camera. The lesion was then stained and an optical image of the lesion was obtained. The thermal and optical images were electronically merged to allow determination of the tissue temperature at the edge of the lesion at the end of radiofrequency delivery. By adjusting the temperature overlay display to conform with the edge of the radiofrequency lesion, the lethal isotherm was measured to be 60.6°C (interquartile ranges, 59.7° to 62.4°C; range, 58.1° to 64.2°C). The areas encompassed by the lesion border in the optical image and the lethal isotherm in the thermal image were statistically similar and highly correlated (Spearman ρ=0.99, Pradiofrequency delivery or to lesion size (both P>0.64). The areas circumscribed by 50°C isotherms were significantly larger than the areas of the lesions on optical imaging (P=0.002). By direct measurement, the lethal isotherm for cardiac myocardium is near 61°C for radiofrequency energy deliveries radiofrequency ablation is important to clinical practice as well as mathematical modeling of radiofrequency lesions.

  15. Isothermal, kinetic and thermodynamic studies on basic dye sorption ...

    African Journals Online (AJOL)

    Isothermal, kinetic and thermodynamic studies on basic dye sorption onto tartaric acid esterified wheat straw. ... African Journal of Biotechnology ... esterified wheat straw (EWS), was originally prepared by solid phase thermochemistry method.

  16. Universality of isothermal fluid spheres in Lovelock gravity

    Science.gov (United States)

    Dadhich, Naresh; Hansraj, Sudan; Maharaj, Sunil D.

    2016-02-01

    We show universality of isothermal fluid spheres in pure Lovelock gravity where the equation of motion has only one N th order term coming from the corresponding Lovelock polynomial action of degree N . Isothermality is characterized by the equation of state, p =α ρ and the property, ρ ˜1 /r2 N . Then the solution describing isothermal spheres, which exist only for the pure Lovelock equation, is of the same form for the general Lovelock degree N in all dimensions d ≥2 N +2 . We further prove that the necessary and sufficient condition for the isothermal sphere is that its metric is conformal to the massless global monopole or the solid angle deficit metric, and this feature is also universal.

  17. Isothermal martensite formation at sub-zero temperatures

    DEFF Research Database (Denmark)

    Stojko, Allan; Hansen, Mikkel Fougt; Slycke, Jan

    2012-01-01

    , quenched in oil, and thereafter investigated with vibrating sample magnetometry, which allows a quantitative assessment of the fraction of retained austenite as a function of the sub-zero temperature and time. Isothermal martensite formation was observed on interrupting the continuous cooling (5 K...... with a continuation of the martensitic transformation. On prolonged isothermal holding, a volume reduction was observed for AISI 52100, but not for AISI 1070. Copyright © 2011 by ASTM International....

  18. On the membrane approximation in isothermal film casting

    Science.gov (United States)

    Hagen, Thomas

    2014-08-01

    In this work, a one-dimensional model for isothermal film casting is studied. Film casting is an important engineering process to manufacture thin films and sheets from a highly viscous polymer melt. The model equations account for variations in film width and film thickness, and arise from thinness and kinematic assumptions for the free liquid film. The first aspect of our study is a rigorous discussion of the existence and uniqueness of stationary solutions. This objective is approached via the argument principle, exploiting the homotopy invariance of a family of analytic functions. As our second objective, we analyze the linearization of the governing equations about stationary solutions. It is shown that solutions for the associated boundary-initial value problem are given by a strongly continuous semigroup of bounded linear operators. To reach this result, we cast the relevant Cauchy problem in a more accessible form. These transformed equations allow us insight into the regularity of the semigroup, thus yielding the validity of the spectral mapping theorem for the semigroup and the spectrally determined growth property.

  19. Sorption isotherms for oat flakes (Avena sativa L.

    Directory of Open Access Journals (Sweden)

    José Edgar Zapata M.

    2014-04-01

    Full Text Available Moisture sorption isotherms of oat flakes were determined at temperatures of 5, 25 and 37°C, using a gravimetric technique in an a w range of between 0.107 and 0.855. These curves were modeled using six equations commonly applied in food. The quality of the fit was assessed with the regression coefficient (r² and the mean relative percentage error (MRPE. The best fit were obtained with the Caurie model with r² of 0.996, 0.901 and 0.870, and MRPE of 7.190, 17.878 and 16.206, at 5, 25 and 37°C, respectively. The equilibrium moisture presented a dependence on temperature in the studied a w range, as did the security moisture (X S. These results suggest that the recommended storage conditions of oat flakes include: a relative air humidity of 50% between 5 and 25°C and of 38% up to 37°C.

  20. Isothermal and isochronal annealing experiments on irradiated commercial power VDMOSFETs

    International Nuclear Information System (INIS)

    Jaksic, A.B.; Pejovic, M.M.; Ristic, G.S.

    1999-01-01

    The paper presents results of isothermal and isochronal annealing experiments on several types of gamma-ray irradiated commercial N- and P-channel power VDMOSFETs. Transistors were characterized for their threshold voltage shift and densities of radiation-induced oxide-trap charge and interface traps. The results show that the temperature enhances interface trap formation and oxide-trap charge decay rates, but also contributes to the passivation of interface traps. The study demonstrates that formation and passivation of interface traps are simultaneous processes. At certain conditions (lower temperature and/or positive bias) interface-trap formation dominates. Oppositely, at other conditions (higher temperature and/or negative bias) passivation is predominant. However at some conditions there is a complex interplay between formation and passivation of interface traps, resulting in interface traps increase followed by decrease at later annealing times. No model for interface trap post-irradiation behavior can explain this effect better than the recently proposed H-W model

  1. Desorption isotherms, drying characteristics and qualities of glace tropical fruits undergoing forced convection solar drying

    Energy Technology Data Exchange (ETDEWEB)

    Jamradloedluk, Jindaporn; Wiriyaumpaiwong, Songchai [Mahasarakham Univ. Khamriang, Kantarawichai, Mahasarakham (Thailand)

    2008-07-01

    Solar energy, a form of sustainable energy, has a great potential for a wide variety of applications because it is abundant and accessible, especially for countries located in the tropical region. Drying process is one of the prominent techniques for utilization of solar energy. This research work proposes a forced convection solar drying of osmotically pretreated fruits viz. mango, guava, and pineapple. The fruit cubes with a dimension of 1cm x 1cm x 1cm were immersed in 35% w./w. sucrose solution prior to the drying process. Drying kinetics, color and hardness of the final products obtained from solar drying were investigated and compared with those obtained from open air-sun drying. Desorption isotherms of the osmosed fruits were also examined and five mathematical models were used to fit the desorption curves. Experimental results revealed that solar drying provided higher drying rate than natural sun drying. Color of glace fruit processed by solar drying was more intense, indicated by lower value of lightness and higher value of yellowness, than that processed by sun drying. Hardness of the products dehydrated by both drying methods, however, was not significantly different (p>0.05). Validation of the mathematical models developed showed that the GAB model was most effective for describing desorption isotherms of osmotically pretreated mango and pineapple whereas Peleg's model was most effective for describing desorption isotherms of osmotically pretreated guava. (orig.)

  2. Nitrate sorption on activated carbon modified with CaCl2: Equilibrium, isotherms and kinetics

    Directory of Open Access Journals (Sweden)

    Zanella Odivan

    2015-01-01

    Full Text Available In this study, nitrate (NO3- removal from aqueous solutions was investigated using granular activated carbon (GAC modified with CaCl2. Batch sorption studies were performed as a function of sorbent dose, initial nitrate concentration and pH. Sorption was maximized between pH 3 and 9. Studies on the effect of pH showed that the ion exchange mechanism might be involved in the sorption process. The percentage of nitrate removed increased with increasing sorbent concentration, and the ideal sorbent dose was found to be 20 g•L-1. Four isotherm models-Langmuir, Freundlich, Redlich-Peterson and Sips-were used to fit the experimental data. The Redlich-Peterson isotherm model explained the sorption process well and showed the best coefficient of determination (0.9979 and Chi-square test statistic (0.0079. Using the Sips isotherm model, the sorption capacity (qe was found to be 1.93 mg nitrate per g of sorbent. Kinetic experiments indicated that sorption was a fast process, reaching equilibrium within 120 min. The nitrate sorption kinetic data were successfully fitted to a pseudo-second-order kinetic model. The overall results demonstrated potential applications of modified GAC for nitrate removal from aqueous solutions.

  3. Estimation of the isothermal compressibility from event-by-event multiplicity fluctuation studies

    Directory of Open Access Journals (Sweden)

    Mukherjee Maitreyee

    2018-01-01

    Full Text Available The first estimation of the isothermal compressibility (kT of matter is presented for a wide range of collision energies from √sNN = 7.7 GeV to 2.76 TeV. kT is estimated with the help of event-byevent charged particle multiplicity fluctuations from experiment. Dynamical fluctuations are extracted by removing the statistical fluctuations obtained from the participant model. kT is also estimated from event generators AMPT, UrQMD, EPOS and a hadron resonance gas model. The values of isothermal compressibility are estimated for the Large Hadron Collider (LHC energies with the help of the event generators.

  4. Predicting heavy metals' adsorption edges and adsorption isotherms on MnO2 with the parameters determined from Langmuir kinetics.

    Science.gov (United States)

    Hu, Qinghai; Xiao, Zhongjin; Xiong, Xinmei; Zhou, Gongming; Guan, Xiaohong

    2015-01-01

    Although surface complexation models have been widely used to describe the adsorption of heavy metals, few studies have verified the feasibility of modeling the adsorption kinetics, edge, and isotherm data with one pH-independent parameter. A close inspection of the derivation process of Langmuir isotherm revealed that the equilibrium constant derived from the Langmuir kinetic model, KS-kinetic, is theoretically equivalent to the adsorption constant in Langmuir isotherm, KS-Langmuir. The modified Langmuir kinetic model (MLK model) and modified Langmuir isotherm model (MLI model) incorporating pH factor were developed. The MLK model was employed to simulate the adsorption kinetics of Cu(II), Co(II), Cd(II), Zn(II) and Ni(II) on MnO2 at pH3.2 or 3.3 to get the values of KS-kinetic. The adsorption edges of heavy metals could be modeled with the modified metal partitioning model (MMP model), and the values of KS-Langmuir were obtained. The values of KS-kinetic and KS-Langmuir are very close to each other, validating that the constants obtained by these two methods are basically the same. The MMP model with KS-kinetic constants could predict the adsorption edges of heavy metals on MnO2 very well at different adsorbent/adsorbate concentrations. Moreover, the adsorption isotherms of heavy metals on MnO2 at various pH levels could be predicted reasonably well by the MLI model with the KS-kinetic constants. Copyright © 2014. Published by Elsevier B.V.

  5. WATER ADSORPTION AND DESORPTION ISOTHERMS ON MILK POWDER: II. WHOLE MILK

    OpenAIRE

    Edgar M. Soteras; Julio Gil; Paola Yacanto; Silvana Muratona; Clidia Abaca; María G. Sustersic

    2014-01-01

    The aim of this research was the determination of adsorption and desorption isotherms of cow whole milk powder. The experiments have been carried out at 15, 25 and 40 ºC, in ranges of moisture and water activity characteristic of normal conditions in which the processes of drying, packaging and storage are developed. By studying the influence of the temperature on the experimental plots, the isosteric adsorption heat was determined. Experimental data were correlated to the referential model ...

  6. Isothermal and non-isothermal infiltration and deuterium transport: a case study in a soil column from a headwater catchment

    Czech Academy of Sciences Publication Activity Database

    Sobotková, M.; Sněhota, M.; Budínová, E.; Tesař, Miroslav

    2017-01-01

    Roč. 65, č. 3 (2017), s. 234-243 ISSN 0042-790X Grant - others:GA ČR(CZ) GA14-03691S Institutional support: RVO:67985874 Keywords : isothermal infiltration * non-isothermal infiltration * column leaching * breakthrough curve * deuterium * viscosity * capillary trapping * entrapped air * permeability Subject RIV: DA - Hydrology ; Limnology OBOR OECD: Environmental sciences (social aspects to be 5.7) Impact factor: 1.654, year: 2016

  7. Isothermal and non-isothermal cure of a tri-functional epoxy resin (TGAP): A stochastic TMDSC study

    International Nuclear Information System (INIS)

    Hutchinson, John M.; Shiravand, Fatemeh; Calventus, Yolanda; Fraga, Iria

    2012-01-01

    Highlights: ► First evaluation of T g of tri-functional epoxy resin TGAP by DSC. ► Clearly shows advantages of TOPEM for isothermal and non-isothermal cure analysis. ► Evidence of highly non-linear enthalpy relaxation in partially cured TGAP system. - Abstract: The isothermal cure of a highly reactive tri-functional epoxy resin, tri-glycidyl para-amino phenol (TGAP), with diamino diphenyl sulphone (DDS), at two different cure temperatures T c has been studied by both conventional differential scanning calorimetry (DSC) and by a stochastic temperature modulated DSC technique, TOPEM. From a series of isothermal cure experiments for increasing cure times, the glass transition temperature T g as a function of isothermal cure time is determined by conventional DSC from a second (non-isothermal) scan, and the vitrification time t v is obtained as the time at which T g = T c . In parallel, TOPEM experiments at the same T c lead directly to the determination of t v from the sigmoidal change in the quasi-static heat capacity. It is not possible to identify the glass transition temperature of the fully cured system, T g∞ , in a third scan by conventional DSC. In contrast, with TOPEM a second (non-isothermal) scan at 2 K/min after the isothermal cure gives rise to three separate transitions: devitrification of the partially cured and vitrified material; almost immediate vitrification as the T g of the system again rises; finally another devitrification, at a temperature approximating closely to T g∞ . Thus with TOPEM it is possible to obtain a calorimetric measure of the glass transition temperature of this fully cured system.

  8. Production of valuable pyrolytic oils from mixed Municipal Solid Waste (MSW in Indonesia using non-isothermal and isothermal experimental

    Directory of Open Access Journals (Sweden)

    Indra Mamad Gandidi

    2017-09-01

    Full Text Available Municipal solid waste (MSW, disposed of at open dumping sites, poses health risks, contaminates surface water, and releases greenhouse gasses such as methane. However, pyrolysis offers the opportunity to convert MSW into Bio-Oil (BO for clean energy resource. In this paper, an MSW sample consisting of plastic, paper and cardboard, rubber and textiles, and vegetable waste is pyrolysed on a laboratory scale in a fixed-bed vacuum reactor. In the non-isothermal process, the sample was fed into the reactor and then heated. In the isothermal process, the reactor is first heated and then the sample is added. The non-isothermal process created greater BO in both quality and quantity. The BO had a larger amount of gasoline species than diesel-48 fuel, with at 33.44%the BO produced by isothermal pyrolysis and 36.42% in non-isothermal pyrolysis. However the product of isothermal pyrolysis had a higher acid content that reduced its heating value.

  9. Molecular relaxation behavior and isothermal crystallization above glass transition temperature of amorphous hesperetin.

    Science.gov (United States)

    Shete, Ganesh; Khomane, Kailas S; Bansal, Arvind Kumar

    2014-01-01

    The purpose of this paper was to investigate the relaxation behavior of amorphous hesperetin (HRN), using dielectric spectroscopy, and assessment of its crystallization kinetics above glass transition temperature (Tg ). Amorphous HRN exhibited both local (β-) and global (α-) relaxations. β-Relaxation was observed below Tg , whereas α-relaxation prominently emerged above Tg . β-Relaxation was found to be of Johari-Goldstein type and was correlated with α-process by coupling model. Secondly, isothermal crystallization experiments were performed at 363 K (Tg + 16.5 K), 373 K (Tg + 26.5 K), and 383 K (Tg + 36.5 K). The kinetics of crystallization, obtained from the normalized dielectric strength, was modeled using the Avrami model. Havriliak-Negami (HN) shape parameters, αHN and αHN .βHN , were analyzed during the course of crystallization to understand the dynamics of amorphous phase during the emergence of crystallites. HN shape parameters indicated that long range (α-like) were motions affected to a greater extent than short range (β-like) motions during isothermal crystallization studies at all temperature conditions. The variable behavior of α-like motions at different isothermal crystallization temperatures was attributed to evolving crystallites with time and increase in electrical conductivity with temperature. © 2013 Wiley Periodicals, Inc. and the American Pharmacists Association.

  10. Sorption Isotherm of Southern Yellow Pine—High Density Polyethylene Composites

    Directory of Open Access Journals (Sweden)

    Feihong Liu

    2015-01-01

    Full Text Available Temperature and relative humidity (RH are two major external factors, which affect equilibrium moisture content (EMC of wood-plastic composites (WPCs. In this study, the effect of different durability treatments on sorption and desorption isotherms of southern yellow pine (SYP-high density polyethylene (HDPE composites was investigated. All samples were equilibriumed at 20 °C and various RHs including 16%, 33%, 45%, 66%, 75%, 85%, 93%, and100%. EMCs obtained from desorption and absorption for different WPC samples were compared with Nelson’s sorption isotherm model predictions using the same temperature and humidity conditions. The results indicated that the amount of moisture absorbed increased with the increases in RH at 20 °C. All samples showed sorption hysteresis at a fixed RH. Small difference between EMC data of WPC samples containing different amount of ultraviolet (UV stabilizers were observed. Similar results were observed among the samples containing different amount of zinc borate (ZB. The experimental data of EMCs at various RHs fit to the Nelson’s sorption isotherm model well. The Nelson’s model can be used to predicate EMCs of WPCs under different RH environmental conditions.

  11. Studies of Dye Sensitisation Kinetics and Sorption Isotherms of Direct Red 23 on Titania

    Directory of Open Access Journals (Sweden)

    Peter J. Holliman

    2008-01-01

    Full Text Available Sorption kinetics and isotherms have been measured for a commercial dye (Direct Red 23 on different samples of powdered Titania, and the data were analysed to better understand the dye sensitization process for dye sensitised solar cells (DSSCs. For the sorption kinetics, the data show rapid initial sorption (<1 hour followed by slower rate of increasing uptake between 1 and 24 hours. While higher initial concentrations of dye correspond to higher sorption overall, less dye is absorbed from higher initial dye concentrations when considered as percentage uptake. The correlation between the sorption data and model isotherms has been considered with time. The Langmuir model shows better correlations compared to the Freundlich isotherm. The dye uptake data has also been correlated with Titania characterization data (X-ray diffraction, scanning electron microscopy, BET and zero point charge analysis. Kinetic data show significantly better fits to second-order models compared to first order. This suggests that chemisorption is taking place and that the interaction between the dye sorbate and the Titania sorbent involves electron sharing to form an ester bond.

  12. Water adsorption isotherms of carboxymethyl cellulose, guar, locust bean, tragacanth and xanthan gums.

    Science.gov (United States)

    Torres, María D; Moreira, Ramón; Chenlo, Francisco; Vázquez, María J

    2012-06-20

    Water adsorption isotherms of carboxymethyl cellulose (CMC), guar gum (GG), locust bean gum (LBG), tragacanth gum (TG) and xanthan gum (XG) were determined at different temperatures (20, 35, 50, and 65°C) using a gravimetric method. Several saturated salt solutions were selected to obtain different water activities in the range from 0.09 to 0.91. Water adsorption isotherms of tested hydrocolloids were classified like type II isotherms. In all cases, equilibrium moisture content decreased with increasing temperature at each water activity value. Three-parameter Guggenheim-Anderson-de Boer (GAB) model was employed to fit the experimental data in the water activity range and statistical analysis indicated that this model gave satisfactory results. CMC and GG were the most and the least hygroscopic gums, respectively. Sorption heats decreased with increasing moisture content. Monolayer moisture content evaluated with GAB model was consistent with equilibrium conditions of maximum stability calculated from thermodynamic analysis of net integral entropy. Values of equilibrium relative humidity at 20°C are proposed to storage adequately the tested gums. Copyright © 2012 Elsevier Ltd. All rights reserved.

  13. Application of isothermal calorimetry and uv spectroscopy for stability monitoring of pentaerythritol tetranitrate

    International Nuclear Information System (INIS)

    Dosser, L.R.; Pickard, J.M.

    1992-01-01

    Thermal stabilities for a series of pentaerythritol-tetranitrate (PETN) samples with variable surf ace areas were monitored by isothermal calorimetry and UV spectroscopy over the temperature range of 363 to 408 K. Isothermal induction times measured with constant volume calorimetry under an air atmosphere and No evolution rates monitored by UV absorbance at 213 nm under vacuum correlated with the PETN surface area at temperatures equal to or exceeding 383 K. Rate data measured at 383 K are in accord with predictions based on detailed kinetic modeling. Below 383 K, NO evolution data suggested that additional geometric factors may be significant in controlling PETN stability. Mechanisms for influencing surface area upon the rate-determining step are addressed

  14. Experimental Adsorption Isotherm of Methane onto Activated Carbon at Sub- and Supercritical Temperatures

    KAUST Repository

    Rahman, Kazi Afzalur

    2010-11-11

    This paper presents the experimentally measured adsorption isotherm data for methane onto the pitch-based activated carbon type Maxsorb III for temperatures ranging from (120 to 220) K and pressures up to 1.4 MPa. These data are useful to study adsorbed natural gas (ANG) storage systems when the low temperature natural gas regasified from the liquid phase is considered to charge in the storage chamber. Adsorption parameters were evaluated from the isotherm data using the Tóth and Dubinin-Astakhov models. The isosteric heat of adsorption, which is concentration- and temperature-dependent, is extracted from the data. The Henry\\'s law coefficients for the methane/Maxsorb III pairs are evaluated at various temperatures. © 2010 American Chemical Society.

  15. Biosorption of Cd(II) and Zn(II) by nostoc commune: isotherm and kinetics studies

    Energy Technology Data Exchange (ETDEWEB)

    Morsy, Fatthy M. [Faculty of Science, Botany Department, Assiut University, Assiut (Egypt); Hassan, Sedky H.A. [Department of Biological Environment, Kangwon National University, Kangwon-do (Korea, Republic of); Koutb, Mostafa [Faculty of Science, Botany Department, Assiut University, Assiut (Egypt); Umm Al-Qura University, Faculty of Applied Science, Biology Department, Mecca (Saudi Arabia)

    2011-07-15

    In this study, Nostoc commune (cyanobacterium) was used as an inexpensive and efficient biosorbent for Cd(II) and Zn(II) removal from aqueous solutions. The effect of various physicochemical factors on Cd(II) and Zn(II) biosorption such as pH 2.0-7.0, initial metal concentration 0.0-300 mg/L and contact time 0-120 min were studied. Optimum pH for removal of Cd(II) and Zn(II) was 6.0, while the contact time was 30 min at room temperature. The nature of biosorbent and metal ion interaction was evaluated by infrared (IR) technique. IR analysis of bacterial biomass revealed the presence of amino, carboxyl, hydroxyl, and carbonyl groups, which are responsible for biosorption of Cd(II) and Zn (II). The maximum biosorption capacities for Cd(II) and Zn(II) biosorption by N. commune calculated from Langmuir biosorption isotherm were 126.32 and 115.41 mg/g, respectively. The biosorption isotherm for two biosorbents fitted well with Freundlich isotherm than Langmuir model with correlation coefficient (r{sup 2} < 0.99). The biosorption kinetic data were fitted well with the pseudo-second-order kinetic model. Thus, this study indicated that the N. commune is an efficient biosorbent for the removal of Cd(II) and Zn(II) from aqueous solutions. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Effects of isothermal heat treatment on nanostructured bainite morphology and microstructures in laser cladded coatings

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Yanbing [Shanghai Key Lab of Materials Laser Processing and Modification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Feng, Kai; Lu, Fenggui; Zhang, Ke [Shanghai Key Lab of Materials Laser Processing and Modification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); State Key Laboratory of Metal Matrix Composite, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Li, Zhuguo, E-mail: lizg@sjtu.edu.cn [Shanghai Key Lab of Materials Laser Processing and Modification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Hosseini, Seyed Reza Elmi [Shanghai Key Lab of Materials Laser Processing and Modification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Wang, Min [Shanghai Key Lab of Materials Laser Processing and Modification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); State Key Laboratory of Metal Matrix Composite, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China)

    2015-12-01

    Highlights: • Nanobainitic coatings under 200, 250 and 300 °C heat treatments are fabricated. • The size of bainite sheaves increased with the isothermal temperature increasing. • Textured and chaotic distributions are observed in 200 and 300 °C microstructures. • The evolution model of nanobainite morphology is established and analyzed. • The bainitic ferrite of 200 °C heat treatment has a true thickness of 45 nm. - Abstract: Laser cladding and subsequent isothermal heat treatments have been used to fabricate nanostructured bainitic coatings. XRD has been used to determine the kinetics of bainitic transformation process. OM, SEM and TEM have been used to characterize the morphology and microstructures at different stages of transformation. The results showed that at the initial stage of bainitic transformation, the bainite sheaves are short and thin at a relatively low transformation temperature. The fully transformed bainitic microstructure obtained at a relatively high temperature present a textured morphology. The chaotic growth orientations of the sheaves and the island like of the retained austenite have been observed at the low transformation temperature. A simple model has been established to describe the microstructures and the bainite sheaves growth evolutions during the isothermal holding at the different transformed temperatures. The morphology and distribution of the bainite in the coatings were analyzed by using the nucleation and growth rate of bainitic transformation theories, which is consisted with the experiment results.

  17. Effects of isothermal heat treatment on nanostructured bainite morphology and microstructures in laser cladded coatings

    International Nuclear Information System (INIS)

    Guo, Yanbing; Feng, Kai; Lu, Fenggui; Zhang, Ke; Li, Zhuguo; Hosseini, Seyed Reza Elmi; Wang, Min

    2015-01-01

    Highlights: • Nanobainitic coatings under 200, 250 and 300 °C heat treatments are fabricated. • The size of bainite sheaves increased with the isothermal temperature increasing. • Textured and chaotic distributions are observed in 200 and 300 °C microstructures. • The evolution model of nanobainite morphology is established and analyzed. • The bainitic ferrite of 200 °C heat treatment has a true thickness of 45 nm. - Abstract: Laser cladding and subsequent isothermal heat treatments have been used to fabricate nanostructured bainitic coatings. XRD has been used to determine the kinetics of bainitic transformation process. OM, SEM and TEM have been used to characterize the morphology and microstructures at different stages of transformation. The results showed that at the initial stage of bainitic transformation, the bainite sheaves are short and thin at a relatively low transformation temperature. The fully transformed bainitic microstructure obtained at a relatively high temperature present a textured morphology. The chaotic growth orientations of the sheaves and the island like of the retained austenite have been observed at the low transformation temperature. A simple model has been established to describe the microstructures and the bainite sheaves growth evolutions during the isothermal holding at the different transformed temperatures. The morphology and distribution of the bainite in the coatings were analyzed by using the nucleation and growth rate of bainitic transformation theories, which is consisted with the experiment results.

  18. Binding Isotherms and Time Courses Readily from Magnetic Resonance.

    Science.gov (United States)

    Xu, Jia; Van Doren, Steven R

    2016-08-16

    Evidence is presented that binding isotherms, simple or biphasic, can be extracted directly from noninterpreted, complex 2D NMR spectra using principal component analysis (PCA) to reveal the largest trend(s) across the series. This approach renders peak picking unnecessary for tracking population changes. In 1:1 binding, the first principal component captures the binding isotherm from NMR-detected titrations in fast, slow, and even intermediate and mixed exchange regimes, as illustrated for phospholigand associations with proteins. Although the sigmoidal shifts and line broadening of intermediate exchange distorts binding isotherms constructed conventionally, applying PCA directly to these spectra along with Pareto scaling overcomes the distortion. Applying PCA to time-domain NMR data also yields binding isotherms from titrations in fast or slow exchange. The algorithm readily extracts from magnetic resonance imaging movie time courses such as breathing and heart rate in chest imaging. Similarly, two-step binding processes detected by NMR are easily captured by principal components 1 and 2. PCA obviates the customary focus on specific peaks or regions of images. Applying it directly to a series of complex data will easily delineate binding isotherms, equilibrium shifts, and time courses of reactions or fluctuations.

  19. A novel approach for evaluating the performance of real time quantitative loop-mediated isothermal amplification-based methods.

    Science.gov (United States)

    Nixon, Gavin J; Svenstrup, Helle F; Donald, Carol E; Carder, Caroline; Stephenson, Judith M; Morris-Jones, Stephen; Huggett, Jim F; Foy, Carole A

    2014-12-01

    Molecular diagnostic measurements are currently underpinned by the polymerase chain reaction (PCR). There are also a number of alternative nucleic acid amplification technologies, which unlike PCR, work at a single temperature. These 'isothermal' methods, reportedly offer potential advantages over PCR such as simplicity, speed and resistance to inhibitors and could also be used for quantitative molecular analysis. However there are currently limited mechanisms to evaluate their quantitative performance, which would assist assay development and study comparisons. This study uses a sexually transmitted infection diagnostic model in combination with an adapted metric termed isothermal doubling time (IDT), akin to PCR efficiency, to compare quantitative PCR and quantitative loop-mediated isothermal amplification (qLAMP) assays, and to quantify the impact of matrix interference. The performance metric described here facilitates the comparison of qLAMP assays that could assist assay development and validation activities.

  20. Determination of kinetic and thermodynamic parameters that describe isothermal seed germination: A student research project

    Science.gov (United States)

    Hageseth, Gaylord T.

    1982-02-01

    Students under the supervision of a faculty member can collect data and fit the data to the theoretical mathematical model that describes the rate of isothermal seed germination. The best-fit parameters are interpreted as an initial substrate concentration, product concentration, and the autocatalytic reaction rate. The thermodynamic model enables one to calculate the activation energy for the substrate and product, the activation energy for the autocatalytic reaction, and changes in enthalpy, entropy, and the Gibb's free energy. Turnip, lettuce, soybean, and radish seeds have been investigated. All data fit the proposed model.

  1. Isothermal crystallization kinetics in simulated high-level nuclear waste glass

    International Nuclear Information System (INIS)

    Vienna, J.D.; Hrma, P.; Smith, D.E.

    1997-01-01

    Crystallization kinetics of a simulated high-level waste (HLW) glass were measured and modelled. Kinetics of acmite growth in the standard HW39-4 glass were measured using the isothermal method. A time-temperature-transformation (TTT) diagram was generated from these data. Classical glass-crystal transformation kinetic models were empirically applied to the crystallization data. These models adequately describe the kinetics of crystallization in complex HLW glasses (i.e., RSquared = 0.908). An approach to measurement, fitting, and use of TTT diagrams for prediction of crystallinity in a HLW glass canister is proposed

  2. Determination of Differential Enthalpy and Isotherm by Adsorption Calorimetry

    Directory of Open Access Journals (Sweden)

    V. Garcia-Cuello

    2008-01-01

    Full Text Available An adsorption microcalorimeter for the simultaneous determination of the differential heat of adsorption and the adsorption isotherm for gas-solid systems are designed, built, and tested. For this purpose, a Calvet heat-conducting microcalorimeter is developed and is connected to a gas volumetric unit built in stainless steel to record adsorption isotherms. The microcalorimeter is electrically calibrated to establish its sensitivity and reproducibility, obtaining K=154.34±0.23 WV−1. The adsorption microcalorimeter is used to obtain adsorption isotherms and the corresponding differential heats for the adsorption of CO2 on a reference solid, such as a NaZSM-5 type zeolite. Results for the behavior of this system are compared with those obtained with commercial equipment and with other studies in the literature.

  3. Isothermal heat measurements of TBP-nitric acid solutions

    International Nuclear Information System (INIS)

    Smith, J.R.; Cavin, W.S.

    1994-01-01

    Net heats of reaction were measured in an isothermal calorimeter for both single phase (organic) and two phase (organic and aqueous) TBP/HNO 3 reacting solutions at temperatures above 100 C. The oxidation rate constant was determined to be 5.4E-4 min -1 at 110 C for an open ''vented'' system as compared to 1.33 E-3 min -1 in the closed system. The heat released per unit material oxidized was also reduced. The oxidation in both phases was found to be first order in nitric acid and pseudo-zero order in butylnitrate and water. The hydrolysis (esterification) rate constant determined by Nichols' (1.33E-3 min -1 ) fit the experimental data from this work well. Forced evaporation of the volatile components by the product gases from oxidation resulted in a cooling mechanism which more than balanced the heat from the oxidation reaction in the two-phased systems. Rate expressions were derived and rate constants determined for both the single and two phase systems. An approximating mathematical model was developed to fit the experimental data and to extrapolate beyond the experimental conditions. This model shows that one foot of ''reacting'' 14.3M HNO 3 aqueous phase solution at 121 C will transport sufficient water to the organic phase to replace evaporative losses, maintaining endothermicity, for organic layers up to 12.2 + 6.0 feet deep. If the pressure in a reacting system is allowed to increase due to insufficient venting the temperature of the organic phase would increase in temperature to reach a new equilibrium. The rate of oxidation would increase not only due to the increase in temperature but also from the increased concentration of dissolved HNO 3 reduction products. Another important factor is that the cooling system described in this work becomes less effective as the total pressure increases. These factors probably contributed to the explosion at Tomsk

  4. Hydrodynamic boundary conditions for one-component liquid-gas flows on non-isothermal solid substrates

    KAUST Repository

    Xu, Xinpeng; Liu, Chun; Qian, Tiezheng

    2012-01-01

    profiles of liquid-gas flows on non-isothermal, heterogeneous solid substrates is still absent. The purpose of this work is to construct a continuum model for simulating the liquid-gas flows on solid surfaces that are flat and rigid, and may involve

  5. Irreversibility analysis of non isothermal flat plate solar collectors for air heating with a dimensionless model; Analisis de las irreversibilidades en colectores solares de placas planas no isotermicos para calentamiento de aire utilizando un modelo adimensional

    Energy Technology Data Exchange (ETDEWEB)

    Bracamonte-Baran, Johane Hans; Baritto-Loreto, Miguel Leonardo [Universidad Central de Venezuela (Venezuela)]. E-mails: johanehb@gmail.com; johane.bracamonte@ucv.ve; miguel.baritto@ucv.ve

    2013-04-15

    The dimensionless model developed and validated by Baritto and Bracamonte (2012) for the thermal behavior of flat plate solar collector without glass cover is improved by adding the entropy balance equation in a dimensionless form. The model is solved for a wide range of aspect ratios and mass flow numbers. A parametric study is developed and the distribution of internal irreversibilities along the collector is analyzed. The influence of the design parameters on the entropy generation by fluid friction and heat transfer is analyzed and it is found that for certain combinations of these parameters optimal thermodynamic operation can be achieved. [Spanish] En el presente trabajo, el modelo adimensional desarrollado y validado por Baritto y Bracamonte (2012) para describir el comportamiento termico de colectores solares de placas planas sin cubierta transparente, se complementa con la ecuacion adimensional de balance de entropia para un elemento diferencial de colector solar. El modelo se resuelve para un amplio rango de valores de relaciones de aspecto y numero de flujo de masa. A partir de los resultados del modelo se desarrolla un analisis detallado de la influencia de estos parametros sobre la distribucion de irreversibilidades internas a lo largo del colector. Adicionalmente se estudia la influencia de estos parametros sobre los numeros de generacion de entropia por friccion viscosa, por transferencia de calor y total. Se encuentra que existen combinaciones de los parametros antes mencionados, para los cuales, la operacion del colector es termodinamicamente optima para numeros de flujo de masa elevados.

  6. 300 K Isothermal Equations of State of DADNE, DNAN, and LX-17

    Science.gov (United States)

    Zaug, Joseph; Stavrou, Elissaios; Grivickas, Paulius; Pagoria, Phil; Hansen, Donald; Gagliardi, Franco; Sain, John; Bastea, Sorin

    2017-06-01

    Using a direct optical-based measurement approach, we report 10 GPa scale, 300 K isothermal equations of state (EOS) of single crystal 1,1-Diamino-2,2-dinitroethylene (DADNE, FOX-7), single crystal 2,4, Dintrosoanisole (DNAN) and a polymer blended explosive (PBX) composite LX-17 (92.5% triamino trinitro benzene (TATB), and 7.5% KEL-F 800). Results from quasi-statically compressed LX-17 represent the first-ever isothermal EOS measurements of a PBX. Recently, we published a paper outlining the utility of using in-house optical microscopy and interferometry (OMI) diagnostics to directly measure pressure dependent sample volumes of single crystals TATB and alpha-NTO compressed within diamond-anvil cell sample chambers. (Our TATB OMI results agree remarkably well with two independent powder x-ray diffraction EOS studies.) In addition, here we report single crystal pressure dependent indices of refraction from DADNE that clearly signal the onset of electronic and/or molecular (structural) transitions that are otherwise indistinguishable in 300 K plotted pressure-volume EOS isotherms. EOS model parameters are reported from weighted and unweighted fits to the OMI experimental data. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344.

  7. Reynolds number and geometry effects in laminar axisymmetric isothermal counterflows

    KAUST Repository

    Scribano, Gianfranco

    2016-12-29

    The counterflow configuration is a canonical stagnation flow, featuring two opposed impinging round jets and a mixing layer across the stagnation plane. Although counterflows are used extensively in the study of reactive mixtures and other applications where mixing of two streams is required, quantitative data on the scaling properties of the flow field are lacking. The aim of this work is to characterize the velocity and mixing fields in isothermal counterflows over a wide range of conditions. The study features both experimental data from particle image velocimetry and results from detailed axisymmetric simulations. The scaling laws for the nondimensional velocity and mixture fraction are obtained as a function of an appropriate Reynolds number and the ratio of the separation distance of the nozzles to their diameter. In the range of flow configurations investigated, the nondimensional fields are found to depend primarily on the separation ratio and, to a lesser extent, the Reynolds number. The marked dependence of the velocity field with respect to the separation ratio is linked to a high pressure region at the stagnation point. On the other hand, Reynolds number effects highlight the role played by the wall boundary layer on the interior of the nozzles, which becomes less important as the separation ratio decreases. The normalized strain rate and scalar dissipation rate at the stagnation plane are found to attain limiting values only for high values of the Reynolds number. These asymptotic values depend markedly on the separation ratio and differ significantly from the values produced by analytical models. The scaling of the mixing field does not show a limiting behavior as the separation ratio decreases to the smallest practical value considered.

  8. Isothermal and isochronal annealing methodology to study post-irradiation temperature activated phenomena

    International Nuclear Information System (INIS)

    Chabrerie, C.; Autran, J.L.; Paillet, P.; Flament, O.; Leray, J.L.; Boudenot, J.C.

    1997-01-01

    In this work, the evolution of the oxide trapped charge has been modeled, to predict post-irradiation behavior for arbitrary anneal conditions (i.e., arbitrary temperature-time profiles). Using experimental data obtained from a single isochronal anneal, the method consists of calculating the evolution of the energy distribution of the oxide trapped charge, in the framework of a thermally activated charge detrapping model. This methodology is illustrated in this paper by the prediction of experimental isothermal data from isochronal measurements. The implications of these results to hardness assurance test methods are discussed

  9. Volatilisation of ruthenium in vitrification. Isothermal calcination studies of 'Magnox' and thermal oxide simulates

    International Nuclear Information System (INIS)

    Cains, P.W.; Hay, D.A.

    1982-12-01

    Ru volatilities have been measured for the static, isothermal calcination of ''Magnox'' and Thermal Oxide HAL's (Highly Active Liquors) at temperatures up to 600 0 C. Model solutions containing Ru, HNO 3 , and nitrates of important individual cations have also been investigated. Experimental design was primarily based on the requirements of rotary calcination process development. The results have been interpreted in terms of a reaction model involving competition between the simple degradation of Ru(NO) complexes to RuO 2 and oxidative decomposition to volatile species (e.g. RuO 4 ). (author)

  10. pytc: Open-Source Python Software for Global Analyses of Isothermal Titration Calorimetry Data.

    Science.gov (United States)

    Duvvuri, Hiranmayi; Wheeler, Lucas C; Harms, Michael J

    2018-05-08

    Here we describe pytc, an open-source Python package for global fits of thermodynamic models to multiple isothermal titration calorimetry experiments. Key features include simplicity, the ability to implement new thermodynamic models, a robust maximum likelihood fitter, a fast Bayesian Markov-Chain Monte Carlo sampler, rigorous implementation, extensive documentation, and full cross-platform compatibility. pytc fitting can be done using an application program interface or via a graphical user interface. It is available for download at https://github.com/harmslab/pytc .

  11. Non-isothermal compositional gas flow during carbon dioxide storage and enhanced gas recovery

    DEFF Research Database (Denmark)

    Singh, Ashok; Böettcher, N.; Wang, W.

    2011-01-01

    In this work we present the conceptual modeling and the numerical scheme for carbon dioxide storage into nearly depleted gas reservoirs for enhanced gas recovery reasons. For this we develop non-isothermal compositional gas flow model. We used a combined monolithic / staggered coupling scheme...... to solve mass balance equation for the gaseous mixture with heat and fractional mass transport equations. Temperature change resulting from fluid expansion and viscous heat dissipation is included in heat transport in addition to advection and conduction. We have used a modified version of the Peng...

  12. The Application of Simulation Method in Isothermal Elastic Natural Gas Pipeline

    Science.gov (United States)

    Xing, Chunlei; Guan, Shiming; Zhao, Yue; Cao, Jinggang; Chu, Yanji

    2018-02-01

    This Elastic pipeline mathematic model is of crucial importance in natural gas pipeline simulation because of its compliance with the practical industrial cases. The numerical model of elastic pipeline will bring non-linear complexity to the discretized equations. Hence the Newton-Raphson method cannot achieve fast convergence in this kind of problems. Therefore A new Newton Based method with Powell-Wolfe Condition to simulate the Isothermal elastic pipeline flow is presented. The results obtained by the new method aregiven based on the defined boundary conditions. It is shown that the method converges in all cases and reduces significant computational cost.

  13. Influence of pre-treatments on the desorption isotherm ...

    African Journals Online (AJOL)

    Influence of pre-treatments on the desorption isotherm characteristics of plaintain. P-N T Johnson. Full Text: EMAIL FULL TEXT EMAIL FULL TEXT · DOWNLOAD FULL TEXT DOWNLOAD FULL TEXT · http://dx.doi.org/10.4314/gjs.v39i1.15851 · AJOL African Journals Online. HOW TO USE AJOL... for Researchers · for ...

  14. Loop-mediated isothermal amplification (LAMP) based detection of ...

    African Journals Online (AJOL)

    SAM

    2014-05-07

    May 7, 2014 ... 2 months for growing in a culture. Therefore, to control .... The LAMP reaction is carried out in a 25 µL reaction mixture containing ..... J. Fish Dis. 32(6):491-497. Goto M, Honda E, Ogura A, Nomoto A, Hanaki K (2009). Colorimetric detection of loop-mediated isothermal amplification reaction by using hydroxy ...

  15. RAND-Based Formulations for Isothermal Multiphase Flash

    DEFF Research Database (Denmark)

    Paterson, Duncan; Michelsen, Michael L.; Stenby, Erling H.

    2018-01-01

    Two algorithms are proposed for isothermal multiphase flash. These are referred to as modified RAND and vol-RAND. The former uses the chemical potentials and molar-phase amounts as the iteration variables, while the latter uses chemical potentials and phase volumes to cosolve a pressure...

  16. Isothermal Titration Calorimetry Can Provide Critical Thinking Opportunities

    Science.gov (United States)

    Moore, Dale E.; Goode, David R.; Seney, Caryn S.; Boatwright, Jennifer M.

    2016-01-01

    College chemistry faculties might not have considered including isothermal titration calorimetry (ITC) in their majors' curriculum because experimental data from this instrumental method are often analyzed via automation (software). However, the software-based data analysis can be replaced with a spreadsheet-based analysis that is readily…

  17. Improved Isotherm Data for Adsorption of Methane on Activated Carbons

    KAUST Repository

    Loh, Wai Soong; Rahman, Kazi Afzalur; Chakraborty, Anutosh; Saha, Bidyut Baran; Choo, Yoo Sang; Khoo, Boo Cheong; Ng, Kim Choon

    2010-01-01

    This article presents the adsorption isotherms of methane onto two different types of activated carbons, namely, Maxsorb III and ACF (A-20) at temperatures from (5 to 75) °C and pressures up to 2.5 MPa. The volumetric technique has been employed

  18. Development and application of a loop-mediated isothermal ...

    African Journals Online (AJOL)

    Haemophilus parasuis is the causative agent of Glässer's disease that has received much attention recently, due to the increasing economic losses this disease inflicts upon the pig industry worldwide. In this study, loop-mediated isothermal amplification method (LAMP) methodology was designed for diagnosing H.

  19. Development of loop-mediated isothermal amplification method for ...

    African Journals Online (AJOL)

    A novel assay method to detect the highly virulent Porcine reproductive and respiratory syndrome virus (PRRSV) termed reverse transcriptase loop-mediated isothermal amplification (RT-LAMP), was reported by using hydroxynaphthol blue (HNB) as the LAMP product colorimetric judgment. By the set of special primers, ...

  20. The impact of non-isothermal soil moisture transport on evaporation fluxes in a maize cropland

    Science.gov (United States)

    Shao, Wei; Coenders-Gerrits, Miriam; Judge, Jasmeet; Zeng, Yijian; Su, Ye

    2018-06-01

    The process of evaporation interacts with the soil, which has various comprehensive mechanisms. Multiphase flow models solve air, vapour, water, and heat transport equations to simulate non-isothermal soil moisture transport of both liquid water and vapor flow, but are only applied in non-vegetated soils. For (sparsely) vegetated soils often energy balance models are used, however these lack the detailed information on non-isothermal soil moisture transport. In this study we coupled a multiphase flow model with a two-layer energy balance model to study the impact of non-isothermal soil moisture transport on evaporation fluxes (i.e., interception, transpiration, and soil evaporation) for vegetated soils. The proposed model was implemented at an experimental agricultural site in Florida, US, covering an entire maize-growing season (67 days). As the crops grew, transpiration and interception became gradually dominated, while the fraction of soil evaporation dropped from 100% to less than 20%. The mechanisms of soil evaporation vary depending on the soil moisture content. After precipitation the soil moisture content increased, exfiltration of the liquid water flow could transport sufficient water to sustain evaporation from soil, and the soil vapor transport was not significant. However, after a sufficient dry-down period, the soil moisture content significantly reduced, and the soil vapour flow significantly contributed to the upward moisture transport in topmost soil. A sensitivity analysis found that the simulations of moisture content and temperature at the soil surface varied substantially when including the advective (i.e., advection and mechanical dispersion) vapour transport in simulation, including the mechanism of advective vapour transport decreased soil evaporation rate under wet condition, while vice versa under dry condition. The results showed that the formulation of advective soil vapor transport in a soil-vegetation-atmosphere transfer continuum can

  1. Innovative isothermal oil-free co-rotating scroll compressor–expander for energy storage with first expander tests

    International Nuclear Information System (INIS)

    Iglesias, A.; Favrat, D.

    2014-01-01

    Highlights: • Doing a new concept of small scale compressed air energy storage. • Presenting a new working process of scroll machinery. • Updating a thermodynamic model of scroll compressor that take into account water injection. • Updating a mathematical model of volumetric loses that take into account sealing effect of liquid water. • Encouraging results to investigate more deeply this new concept. - Abstract: The development of an efficient isothermal turbine and compressor is essential for the realization of a small-scale compressed air energy storage (CAES). This article presents the theoretical development of an oil-free co-rotating scroll air compressor and turbine working with water injection to make the operations of expansion and compression as isothermal as possible. First experimental results in expander mode are shown. The theoretical performance is predicted with the help of a mathematical model using the equations of energy and mass conservation and the equation of state. This model takes into account the effects of water injection and volumetric losses. The experimental prototype is an oil-free scroll air compressor with the distinctive feature of having two mobile involutes working in synchronized co-rotation one relative to another. The prime-mover is an electric motor driving the two scrolls with two synchronizing belts. Water injection in the housing intends to provide a quasi-isothermal compression. The same device is used as an isothermal expander by supplying high-pressure air with water when it rotates backwards in expander mode, the electric motor acting then as a generator. Expected improvements to a standard scroll compressor and expander are a better volumetric efficiency and a greater power density due to a higher rotational speed of the scrolls, thanks to their symmetrical masses. The isothermal processes increase also the overall performance

  2. Adsorption isotherm studies of chromium (VI) from aqueous solutions using sol-gel hydrotalcite-like compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ramos-Ramirez, Esthela, E-mail: ramosre@quijote.ugto.mx [Centro de Investigaciones en Quimica Inorganica de la Universidad de Guanajuato, Noria Alta s/n, Col. Noria Alta, C.P. 36050, Guanajuato, Gto. (Mexico); Gutierrez Ortega, Norma L.; Conteras Soto, Cesar A. [Centro de Investigaciones en Quimica Inorganica de la Universidad de Guanajuato, Noria Alta s/n, Col. Noria Alta, C.P. 36050, Guanajuato, Gto. (Mexico); Instituto Nacional de Investigaciones Nucleares, Carretera Mexico-Toluca s/n, km 36.5, La Marquesa, Coyoacan Mexico, C.P. 52750 (Mexico); Olguin Gutierrez, Maria T. [Instituto Nacional de Investigaciones Nucleares, Carretera Mexico-Toluca s/n, km 36.5, La Marquesa, Coyoacan Mexico, C.P. 52750 (Mexico)

    2009-12-30

    In under-developed countries, industries such as paint and pigment manufacturing, leather tanning, chrome plating and textile processing, usually discharge effluents containing Cr(VI) and Cr(III) into municipal sanitary sewers. It has been reported that Cr(VI) acts as a powerful epithelial irritant and as a human carcinogen. In the present work, hydrotalcite-like compounds with a Mg/Al ratio = 2 were synthesized by the sol-gel method. The hydrotalcite-like compounds and their corresponding thermally treated products were characterized by powder X-ray diffraction, infrared spectroscopy and N{sub 2} adsorption. The hydrotalcite-like compounds and the heated solids were used as adsorbents for Cr(VI) in aqueous solutions. Adsorption isotherm studies of Cr(VI) from aqueous solution are described. The adsorbent capacity was determined using the Langmuir, Freundlich and Dubinin-Radushkevich adsorption isotherm models. The Cr(VI) adsorption isotherm data fit best to the Langmuir isotherm model. The maximum Cr(VI) uptake by hydrotalcite and the heated solids was determined using the Langmuir equation and was found to range between 26 and 29 mg Cr(VI)/g adsorbent.

  3. Adsorption isotherm studies of chromium (VI) from aqueous solutions using sol-gel hydrotalcite-like compounds

    International Nuclear Information System (INIS)

    Ramos-Ramirez, Esthela; Gutierrez Ortega, Norma L.; Conteras Soto, Cesar A.; Olguin Gutierrez, Maria T.

    2009-01-01

    In under-developed countries, industries such as paint and pigment manufacturing, leather tanning, chrome plating and textile processing, usually discharge effluents containing Cr(VI) and Cr(III) into municipal sanitary sewers. It has been reported that Cr(VI) acts as a powerful epithelial irritant and as a human carcinogen. In the present work, hydrotalcite-like compounds with a Mg/Al ratio = 2 were synthesized by the sol-gel method. The hydrotalcite-like compounds and their corresponding thermally treated products were characterized by powder X-ray diffraction, infrared spectroscopy and N 2 adsorption. The hydrotalcite-like compounds and the heated solids were used as adsorbents for Cr(VI) in aqueous solutions. Adsorption isotherm studies of Cr(VI) from aqueous solution are described. The adsorbent capacity was determined using the Langmuir, Freundlich and Dubinin-Radushkevich adsorption isotherm models. The Cr(VI) adsorption isotherm data fit best to the Langmuir isotherm model. The maximum Cr(VI) uptake by hydrotalcite and the heated solids was determined using the Langmuir equation and was found to range between 26 and 29 mg Cr(VI)/g adsorbent.

  4. Pre-eruptive magmatic processes re-timed using a non-isothermal approach to magma chamber dynamics.

    Science.gov (United States)

    Petrone, Chiara Maria; Bugatti, Giuseppe; Braschi, Eleonora; Tommasini, Simone

    2016-10-05

    Constraining the timescales of pre-eruptive magmatic processes in active volcanic systems is paramount to understand magma chamber dynamics and the triggers for volcanic eruptions. Temporal information of magmatic processes is locked within the chemical zoning profiles of crystals but can be accessed by means of elemental diffusion chronometry. Mineral compositional zoning testifies to the occurrence of substantial temperature differences within magma chambers, which often bias the estimated timescales in the case of multi-stage zoned minerals. Here we propose a new Non-Isothermal Diffusion Incremental Step model to take into account the non-isothermal nature of pre-eruptive processes, deconstructing the main core-rim diffusion profiles of multi-zoned crystals into different isothermal steps. The Non-Isothermal Diffusion Incremental Step model represents a significant improvement in the reconstruction of crystal lifetime histories. Unravelling stepwise timescales at contrasting temperatures provides a novel approach to constraining pre-eruptive magmatic processes and greatly increases our understanding of magma chamber dynamics.

  5. Adsorption isotherm studies of chromium (VI) from aqueous solutions using sol-gel hydrotalcite-like compounds.

    Science.gov (United States)

    Ramos-Ramírez, Esthela; Ortega, Norma L Gutiérrez; Soto, Cesar A Contreras; Gutiérrez, Maria T Olguín

    2009-12-30

    In under-developed countries, industries such as paint and pigment manufacturing, leather tanning, chrome plating and textile processing, usually discharge effluents containing Cr(VI) and Cr(III) into municipal sanitary sewers. It has been reported that Cr(VI) acts as a powerful epithelial irritant and as a human carcinogen. In the present work, hydrotalcite-like compounds with a Mg/Al ratio=2 were synthesized by the sol-gel method. The hydrotalcite-like compounds and their corresponding thermally treated products were characterized by powder X-ray diffraction, infrared spectroscopy and N(2) adsorption. The hydrotalcite-like compounds and the heated solids were used as adsorbents for Cr(VI) in aqueous solutions. Adsorption isotherm studies of Cr(VI) from aqueous solution are described. The adsorbent capacity was determined using the Langmuir, Freundlich and Dubinin-Radushkevich adsorption isotherm models. The Cr(VI) adsorption isotherm data fit best to the Langmuir isotherm model. The maximum Cr(VI) uptake by hydrotalcite and the heated solids was determined using the Langmuir equation and was found to range between 26 and 29 mg Cr(VI)/g adsorbent.

  6. The Isothermal Dendritic Growth Experiment Archive

    Science.gov (United States)

    Koss, Matthew

    2009-03-01

    The growth of dendrites is governed by the interplay between two simple and familiar processes---the irreversible diffusion of energy, and the reversible work done in the formation of new surface area. To advance our understanding of these processes, NASA sponsored a project that flew on the Space Shuttle Columbia is 1994, 1996, and 1997 to record and analyze benchmark data in an apparent-microgravity ``laboratory.'' In this laboratory, energy transfer by gravity driven convection was essentially eliminated and one could test independently, for the first time, both components of dendritic growth theory. The analysis of this data shows that although the diffusion of energy can be properly accounted for, the results from interfacial physics appear to be in disagreement and alternate models should receive increased attention. Unfortunately, currently and for the foreseeable future, there is no access or financial support to develop and conduct additional experiments of this type. However, the benchmark data of 35mm photonegatives, video, and all supporting instrument data are now available at the IDGE Archive at the College of the Holy Cross. This data may still have considerable relevance to researchers working specifically with dendritic growth, and more generally those working in the synthesis, growth & processing of materials, multiscale computational modeling, pattern formation, and systems far from equilibrium.

  7. Densities and isothermal compressibilities of ionic liquids - Modelling and application

    DEFF Research Database (Denmark)

    Abildskov, Jens; Ellegaard, Martin Dela; O’Connell, J.P.

    2010-01-01

    Two corresponding-states forms have been developed for direct correlation function integrals in liquids to represent pressure effects on the volume of ionic liquids over wide ranges of temperature and pressure. The correlations can be analytically integrated from a chosen reference density to pro...

  8. On a non-isothermal model for nematic liquid crystals

    Czech Academy of Sciences Publication Activity Database

    Feireisl, Eduard; Rocca, E.; Schimperna, G.

    2011-01-01

    Roč. 24, č. 1 (2011), s. 243-257 ISSN 0951-7715 R&D Projects: GA ČR GA201/09/0917; GA MŠk LC06052 Institutional research plan: CEZ:AV0Z10190503 Keywords : Navier-Stokes equations * system * flows Subject RIV: BA - General Mathematics Impact factor: 1.386, year: 2011 http://iopscience.iop.org/0951-7715/24/1/012/

  9. MODELADO DE LAS ISOTERMAS DE SORCIÓN Y DEL CALOR ISOSTÉRICO DE SORCIÓN EN PULPA DE MANGO cv. TOMMY ATKINS MODELAGEM DE ISOTERMAS DE SORÇÃO E CALOR ISOSTÉRICO DE SORÇÃO DE POLPA DE MANGA cv. TOMMY ATKINS MODELING SORPTION ISOTHERMS AND ISOSTERIC HEAT OF SORPTION OF MANGO PULP cv. TOMMY ATKINS

    Directory of Open Access Journals (Sweden)

    JOSÉ BON

    2012-12-01

    polpa de manga (Mangifera indica L. cv. Tommy Atkins foi analisada para determinar as isotermas de sorção. A atividade de água foi medida empregando um higrômetro elétrico a cinco diferentes temperaturas (10, 20, 30, 40 e 50 °C e amplas faixas de conteúdo de umidade (2.829 - 0.031 kg kg-1 b.s. e atividade de água (0.977 - 0.215. O modelo de teórico de GAB e os modelos empíricos de (Oswin, Henderson, Halsey e Ratti foram empregados para modelar as isotermas de sorção. Depois de considerar diferentes critérios, o modelo de GAB apresentou a melhor opção para representar o equilíbrio higroscópico da polpa de manga (RMSE = 0.057, VAR = 0.996.As isotermas mostraram um comportamento acorde aos materiais agroalimentícios e similar ao reportado para polpa de manga de outras variedades. O calor isostérico de sorção foi calculado utilizando a equação de Clausius-Clapeyron a partir do modelo de GAB. Observou-se uma diminuição no calor isostérico de sorção quando aumentou o conteúdo de umidade de equilíbrio, com um grande efeito da umidade em valores abaixo de 0.8 kg kg-1 (b.s..Mango is an agricultural product of great economic importance for various developing countries, which has increased demand for its nutritional properties and exotic characteristics. The relationship between moisture content and water activity provides useful information for mango processing, especially for drying and storage operations. Water activity and moisture content of mango pulp (Mangiferaindica L. cv. Tommy Atkins were analyzed to determine the sorption isotherms. The water activity was measured using an electric hygrometer at five different temperatures (10, 20, 30, 40 and 50 °C and wide ranges of moisture content (2.829-0.031 kg kg-1 d.b. and water activity (0.977-0.215. One theoretical (GAB and four empirical equations (Oswin, Henderson, Halsey and Ratti were used for modeling the sorption isotherms. After following several criteria to evaluate the models, the GAB

  10. Determination of drying kinetics and sorption isotherm of black pepper (Piper Nigrum)

    Science.gov (United States)

    De Vera, Flordeliza C.; Atienza, Vanessa Bernadette B.; Capili, Jomicah B.; Sauli, Zaliman

    2017-11-01

    In the present study of food products, determination of the drying characteristics of black pepper using an oven is not yet completely established. This study aimed to determine the drying kinetics and sorption isotherm of black pepper using a convective oven at 30°C, 40°C and 50°C. The data gathered in this study were used to fit in selected mathematical models for drying kinetics and sorption isotherm. Among these models, the Midilli model (MR=0.5338exp(0.7273t-0.0551)+-0.0005t for 30°C, MR=0.5814exp(0.6293t-0.0764)+ -0.0008t for 40°C and MR=0.3187exp(1.1777t-0.0466)+ -0.0011t for 50°C) was the best fit to explain the moisture transfer in black pepper, while the GAB Model (m/0.1302=((0.1906)(0.7811)aw)/(1-(0.7811)aw)[1-(0.7811)aw+(0.1906)(0.7811)aw])) was for the equilibrium moisture content and water activity relationship. After evaluating the data, the drying characteristics of black pepper at 40°C yielded better results than 30°C and 50°C. XLSTAT and ANOVA Add-in of Microsoft Excel was the software used to compute for the necessary values in the assessment of the mathematical models for this study.

  11. Non-isothermal cold crystallization kinetics of poly(3-hydoxybutyrate) filled with zinc oxide

    Energy Technology Data Exchange (ETDEWEB)

    Ries, Andreas, E-mail: ries750@yahoo.com.br [Electrical Engineering Department, Federal University of Paraíba, João Pessoa, PB 58051-900 (Brazil); Canedo, Eduardo L. [Materials Engineering Department, Federal University of Campina Grande, Campina Grande, PB 58429-900 (Brazil); Souto, Cícero R. [Electrical Engineering Department, Federal University of Paraíba, João Pessoa, PB 58051-900 (Brazil); Wellen, Renate M.R. [Materials Engineering Department, Federal University of Paraíba, João Pessoa, PB 58051-900 (Brazil)

    2016-08-10

    Highlights: • Non-isothermal cold crystallization kinetics of PHB filled with ZnO is presented. • Pseudo-Avrami model is best for describing an individual crystallization condition. • Mo model is allows to judge the kinetics of a condition untested in this work. • ZnO affects the kinetics irregularly. - Abstract: The non-isothermal cold crystallization kinetics of poly(3-hydroxybutyrate) (PHB) and PHB-ZnO composites, with ZnO content of 1%, 5% and 10% per weight, was investigated at different heating rates (5, 7.5, 10, 15, 20 and 30 °C/min) using differential scanning calorimetry. Both, Kissinger and Friedman activation energies predict correctly the slowest and fastest crystallizing composition. It was further found, that ZnO can neither be classified as a crystallization accelerator, nor as a crystallization inhibitor; its action is strongly concentration dependent. The empirical Pseudo-Avrami model has the best overall capability for fitting the experimental kinetic data. However, since the Pseudo-Avrami exponent was found to vary irregularly with heating rate and filler content, this model should not be applied for kinetic predictions of an arbitrary composition or an untested heating rate. In such cases, Mo's model should be used.

  12. Thermodynamic Properties, Sorption Isotherms and Glass Transition Temperature of Cape Gooseberry (Physalis peruviana L.

    Directory of Open Access Journals (Sweden)

    Jessica López

    2014-01-01

    Full Text Available Adsorption and desorption isotherms of fresh and dried Cape gooseberry (Physalis peruviana L. were determined at three temperatures (20, 40 and 60 °C using a gravimetric technique. The data obtained were fitted to several models including Guggenheim-Anderson- De Boer (GAB, Brunauer-Emmett-Teller (BET, Henderson, Caurie, Smith, Oswin, Halsey and Iglesias-Chirife. A non-linear least square regression analysis was used to evaluate the models. The Iglesias-Chirife model fitted best the experimental data. Isosteric heat of sorption was also determined from the equilibrium sorption data using the Clausius-Clapeyron equation and was found to decrease exponentially with increasing moisture content. The enthalpy-entropy compensation theory was applied to the sorption isotherms and indicated an enthalpy-controlled sorption process. Glass transition temperature (Tg of Cape gooseberry was also determined by differential scanning calorimetry and modelled as a function of moisture content with the Gordon-Taylor, the Roos and the Khalloufi models, which proved to be excellent tools for predicting glass transition of Cape gooseberry.

  13. Experiments on non-isothermal spreading

    International Nuclear Information System (INIS)

    Ehrhard, P.

    1992-09-01

    Experiments are performed on axisymmetric spreading of viscous drops on glass plates. Two liquids are investigated: silicone oil (M-100) spreads to 'infinity' and paraffin oil spreads to a finite-radius steady state. The experiments with silicone oil partly recover the behaviour of previous workers data; those experiments with paraffin oil provide new data. It is found that gravitational forces dominate at long enough times while at shorter times capillary forces dominate. When the plate is heated or cooled with respect to the ambient gas, thermocapillary forces generate flows that alter the spreading dynamics. Heating (cooling) the plate is found to retard (augment) the streading. Moreover, in case of partial wetting, the finally-approached drop radius is smaller (larger) for a heated (cooled) plate. These data are all new. All these observations are in excellent quantitative agreement with the related model predictions of Ehrhard and Davis (1991). A breakdown of the axisymmetric character of the flow is observed only for very long times and/or very thin liquid layers. (orig.) [de

  14. Constitutive relationships for 22MnB5 boron steel deformed isothermally at high temperatures

    International Nuclear Information System (INIS)

    Naderi, M.; Durrenberger, L.; Molinari, A.; Bleck, W.

    2008-01-01

    The strain, strain rate and temperature dependency of a boron steel, which was isothermally deformed under uniaxial compression tests, has been investigated at temperatures between 600 and 900 o C, and at strain rates of 0.1, 1.0 and 10.0 s -1 . Two constitutive models were used to correlate the plastic behavior: the Voce constitutive relation in combination with the kinetic model proposed by Kocks and the phenomenological model proposed by Molinari-Ravichandran. The Kocks model has been introduced in the Voce formulation to describe the temperature and the strain rate dependency of the saturation stress and of the yield stress. The Molinari-Ravichandran model is based on a single internal variable that can be viewed as being related to a characteristic length scale of the microstructure that develops during deformation. It has been shown that the plastic behavior of the boron steel can be well described using these two models

  15. Adsorption of cationic surfactants on silica surface: 1. Adsorption isotherms and surface charge

    NARCIS (Netherlands)

    Goloub, T.P.; Koopal, L.K.; Sidorova, M.P.

    2004-01-01

    Adsorption isotherms of cationic surfactant, dodecylpyridinium chloride, on an Aerosil OX50 and isotherms of surface charge against the background of 0.001- and 0.1-M KCl solutions at pH 7 and 9 were measured and analyzed. Different forms of adsorption isotherms of surfactants at low and high

  16. Determination of field-based sorption isotherms for Cd, Cu, Pb and Zn in Dutch soils

    NARCIS (Netherlands)

    Otte JG; Grinsven JJM van; Peijnenburg WJGM; Tiktak A; LBG; ECO

    1999-01-01

    Sorption isotherms for metals in soil obtained in the laboratory generally underpredict the observed metal content in the solid phase in the field. Isotherms based on in-situ data are therefore required. The aim of this study is to obtain field-based sorption isotherms for Cd, Cu, Pb and Zn as input

  17. Non-isothermal spreading of liquid drops on horizontal plates

    International Nuclear Information System (INIS)

    Ehrhard, P.; Davis, S.H.

    1990-05-01

    A viscous-liquid drop spreads on a smooth horizontal surface, which is uniformly heated or cooled. Lubrication theory is used to study thin drops subject to capillary, thermocapillary and gravity forces, and a variety of contact-angle-versus-speed conditions. It is found for isothermal drops that gravity is very important at large times and determines the power law for unlimited spreading. Predictions compare well with the experimental data on isothermal spreading for both two-dimensional and axisymmetric configurations. It is found that heating (cooling) retards (augments) the spreading process. When the advancing contact angle is zero, heating will cause the drop to spread only finitely far. For positive advancing contact angles, sufficient cooling will cause unlimited spreading. Thus, the heat transfer serves as a sentitive control on the spreading. (orig.) [de

  18. Non-isothermal Moisture Transport Through Insulation Materials

    DEFF Research Database (Denmark)

    Peuhkuri, Ruut Hannele; Rode, Carsten; Hansen, Kurt Kielsgaard

    2008-01-01

    An experimental investigation was conducted in order to draw some conclusions on the magnitude of moisture transport due to temperature gradient on a range of porous light-weight building materials. A special constructed non-isothermal set-up allowed the creation of a temperature gradient of 10K...... and given humidity gradient over the sample. The resulting moisture ux as well as the hygrothermal states around and within the material were monitored. The hypothesis of relative humidity being a driving force for non-isothermal moisture transport already in the hygroscopic range could not be confirmed....... On the contrary, indications exist that the temperature gradient itself is driving the moisture from the warm side towards the cold side. An attempt to identify and quantify the single contributions of the different transport forms involved is also presented. The diferent results gave, however, diverging...

  19. Isothermal temperature reactivity coefficient measurement in TRIGA reactor

    International Nuclear Information System (INIS)

    Zagar, T.; Ravnik, M.; Trkov, A.

    2002-01-01

    Direct measurement of an isothermal temperature reactivity coefficient at room temperatures in TRIGA Mark II research reactor at Jozef Stefan Institute in Ljubljana is presented. Temperature reactivity coefficient was measured in the temperature range between 15 o C and 25 o C. All reactivity measurements were performed at almost zero reactor power to reduce or completely eliminate nuclear heating. Slow and steady temperature decrease was controlled using the reactor tank cooling system. In this way the temperatures of fuel, of moderator and of coolant were kept in equilibrium throughout the measurements. It was found out that TRIGA reactor core loaded with standard fuel elements with stainless steel cladding has small positive isothermal temperature reactivity coefficient in this temperature range.(author)

  20. Relation between Tolman length and isothermal compressibility for simple liquids

    International Nuclear Information System (INIS)

    Wang Xiao-Song; Zhu Ru-Zeng

    2013-01-01

    The Tolman length δ 0 of a liquid with a plane surface has attracted increasing theoretical attention in recent years, but the expression of Tolman length in terms of observable quantities is still not very clear. In 2001, Bartell gave a simple expression of Tolman length δ 0 in terms of isothermal compressibility. However, this expression predicts that Tolman length is always negative, which is contrary to the results of molecular dynamics simulations (MDS) for simple liquids. In this paper, this contradiction is analyzed and the reason for the discrepancy in the sign is found. In addition, we introduce a new expression of Tolman length in terms of isothermal compressibility for simple fluids not near the critical points under some weak restrictions. The Tolman length of simple liquids calculated by using this formula is consistent with that obtained using MDS regarding the sign

  1. Construction of isotherms in solvent extraction of copper

    Directory of Open Access Journals (Sweden)

    Cvetkovski Vladimir B.

    2009-01-01

    Full Text Available The aim of this work is construction of equilibrium isotherms in solvent extraction. Technological parameters have been predicted for treatment of mine water by solvent extraction and electrowining. Two stages of extractions and one stage of stripping have been predicted for copper recovery by analyzing the equilibrium isotherms. The process was performed on mine water with 2,5 g/dm3 Cu2+, 3 g/dm Fe2+, pH 1,8, using 9 vol% LIX 984N in kerosene (organic solvent, with 95 and 98% stages efficiencies, respectively. This course produced an advanced electrolyte solution, suitable for electrowining and cathodic copper recovery, containing 51 g/dm3 Cu2+ and 160g/dm3 H2SO4 from a 30 g/dm3 Cu and 190 g/dm3 H2SO4.

  2. On the effect of optical and isothermal treatments on luminescence signals from feldspars

    International Nuclear Information System (INIS)

    Pagonis, Vasilis; Polymeris, George; Kitis, George

    2015-01-01

    During luminescence dosimetry and luminescence dating applications it is often necessary to precondition the geological samples by applying a thermal or optical treatment before measuring the luminescence signal. In luminescence applications using apatites or feldspars, measurement of continuous-wave infrared or optically stimulated signals (CW-IRSL and CW-OSL) are customarily preceded by either an isothermal heating of the samples at a fixed temperature for a short time interval, or alternatively by optically bleaching the samples using light from LEDs with the appropriate wavelength. This paper presents new analytical equations which can be used to describe these commonly employed double experimental procedures. The equations are based on a recently published model which assumes that tunneling processes are taking place in random distributions of donor–acceptor pairs. The concentration of charge carriers during the CW-IRSL or CW-OSL experiment is expressed in terms of the parameters of the preceding thermal or optical bleaching procedure, and depends also on the distribution of distances between electron and hole pairs. The analytical equations in this paper are compared with experimental data from a feldspar sample which undergoes an isothermal procedure followed by measurement of the CW-IRSL signal. Additional comparisons with experiment are provided using a feldspar sample which undergoes an infrared bleaching process, followed by measurement of the CW-OSL signal. These results and conditions under which the equations can be used are discussed within the framework of the model. - Highlights: • CW-IRSL and CW-OSL measurements are preceded by heating or optical bleaching. • New analytical equations are derived to describe these double experimental procedures. • Equations are compared with data from a feldspar sample following isothermal procedure. • Equations are compared with data from a feldspar sample following optical bleaching.

  3. Isotherms of ion exchange on titanates of alkaline metals

    International Nuclear Information System (INIS)

    Fillina, L.P.; Belinskaya, F.A.

    1986-01-01

    Present article is devoted to isotherms of ion exchange on titanates of alkaline metals. Therefore, finely dispersed hydrated titanates of alkaline metals (lithium, sodium, potassium) with ion exchange properties are obtained by means of alkaline hydrolysis of titanium chloride at high ph rates. Sorption of cations from salts solution of Li 2 SO 4 , NaNO 3 , Ca(NO 3 ) 2 , AgNO 3 by titanates is studied.

  4. High Nitrogen Austenitic Stainless Steel Precipitation During Isothermal Annealing

    OpenAIRE

    Maria Domankova; Katarína Bártová; Ivan Slatkovský; Peter Pinke

    2016-01-01

    The time-temperature-precipitation in high-nitrogen austenitic stainless steel was investigated using light optical microscopy, transmission electron microscopy, selected area diffraction and energy-dispersive X-ray spectroscopy. The isothermal precipitation kinetics curves and the corresponding precipitation activation energy were obtained. The diffusion activation energy of M2N precipitation is 129 kJ/mol. The results show that critical temperature for M2N precipitation is about 825°C with ...

  5. Isothermal α″ formation in β metastable titanium alloys

    International Nuclear Information System (INIS)

    Aeby-Gautier, E.; Settefrati, A.; Bruneseaux, F.; Appolaire, B.; Denand, B.; Dehmas, M.; Geandier, G.; Boulet, P.

    2013-01-01

    Highlights: ► Isothermal kinetics of orthorhombic α″ formation is characterized by HEXRD. ► Cell parameters of parent and product phases are obtained. ► Partitioning of solutes during the transformation and the ageing is discussed. -- Abstract: Thanks to time resolved high energy X-ray diffraction, isothermal decomposition of β metastable phase was studied, directly after solution treatment in the β temperature range, for temperatures ranging from 300 to 450 °C for two beta metastable alloys (Ti 17 and Ti 5553). The formation of an orthorhombic α″ phase is clearly identified at the beginning of the transformation whatever the alloy studied. If transformation occurs at the higher temperature an evolution of α″ is observed toward the hexagonal α phase. The phase amounts and the mean cell parameters of each phase were quantified by the Rietveld refinement method. The obtained cell parameters evolutions and the orthorhombicity of α″ are discussed. Moreover, the orthorhombicity of α″ compared to that obtained for stress induced martensite may indicate a slight partitioning of solutes in isothermal α″

  6. Isothermal α″ formation in β metastable titanium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Aeby-Gautier, E., E-mail: Elisabeth.Gautier@mines.inpl-nancy.fr [Institut Jean Lamour, UMR CNRS Nancy Université, UPVM 7198, Nancy (France); Settefrati, A. [Institut Jean Lamour, UMR CNRS Nancy Université, UPVM 7198, Nancy (France); Airbus Operations, Materials and Processes, Toulouse (France); Bruneseaux, F. [Institut Jean Lamour, UMR CNRS Nancy Université, UPVM 7198, Nancy (France); Appolaire, B. [Laboratoire d’Etudes des Microstructures ONERA – CNRS Chatillon (France); Denand, B.; Dehmas, M.; Geandier, G.; Boulet, P. [Institut Jean Lamour, UMR CNRS Nancy Université, UPVM 7198, Nancy (France)

    2013-11-15

    Highlights: ► Isothermal kinetics of orthorhombic α″ formation is characterized by HEXRD. ► Cell parameters of parent and product phases are obtained. ► Partitioning of solutes during the transformation and the ageing is discussed. -- Abstract: Thanks to time resolved high energy X-ray diffraction, isothermal decomposition of β metastable phase was studied, directly after solution treatment in the β temperature range, for temperatures ranging from 300 to 450 °C for two beta metastable alloys (Ti 17 and Ti 5553). The formation of an orthorhombic α″ phase is clearly identified at the beginning of the transformation whatever the alloy studied. If transformation occurs at the higher temperature an evolution of α″ is observed toward the hexagonal α phase. The phase amounts and the mean cell parameters of each phase were quantified by the Rietveld refinement method. The obtained cell parameters evolutions and the orthorhombicity of α″ are discussed. Moreover, the orthorhombicity of α″ compared to that obtained for stress induced martensite may indicate a slight partitioning of solutes in isothermal α″.

  7. DuPont IsoTherming clean fuel technology

    Energy Technology Data Exchange (ETDEWEB)

    Levinski, E. [E.I. DuPont Co., Wilmington, DE (United States)

    2009-07-01

    This poster described a hydroprocessing technology that DuPont has acquired from Process Dynamics, Inc. The IsoTherming clean fuel technology significantly reduces sulphur in motor fuels. The technology provides petroleum refiners the solution for meeting ultra low sulphur diesel requirements, at much lower costs than conventional technologies. IsoTherming hydroprocessing operates in a kinetically limited mode, with no mass transfer limitation. Hydrogen is delivered to the reactor in the liquid phase as soluble hydrogen, allowing for much higher space velocities than conventional hydrotreating reactors. Treated diesel is recycled back to the inlet of the reactor, generating less heat and more hydrogen into the reactor. The process results in a more isothermal reactor operation that allows for better yields, fewer light ends and greater catalyst life. The technology reduces coking, because the process provides enough hydrogen in the solution when cracking reactions take place. As a result, the process yields longer catalyst life. Other advantages for refiners include lower total investment; reduced equipment delivery lead times; reduced maintenance and operating costs; and configuration flexibility. tabs., figs.

  8. Isotherms of Capillary Condensation Influenced by Formation of Adsorption Films.

    Science.gov (United States)

    Churaev; Starke; Adolphs

    2000-01-15

    Isotherms of capillary condensation are often used to determine the vapor sorption capacity of porous adsorbents as well as the pore size distribution by radii. In this paper, for calculating the volume of capillary condensate and of adsorption films in a porous body, an approach based on the theory of surface forces is used. Adsorption isotherms and disjoining pressure isotherms of wetting films are presented here in an exponential form discussed earlier. The calculations were made for straight cylindrical capillaries of different radii and slit pores of different width. The mechanisms of capillary condensation differ in cylindrical and slit pores. In cylindrical pores capillary condensation occurs due to capillary instability of curved wetting films on a capillary surface, when film thickness grows. In the case of slit pores, coalescence of wetting films formed on opposite slit surfaces proceeds under the action of attractive dispersion forces. Partial volumes of liquid in the state of both capillary condensate and adsorbed films are calculated dependent on the relative vapor pressure in a surrounding media. Copyright 2000 Academic Press.

  9. Maps of Fe-Al phases formation kinetics parameters during isothermal sintering

    Energy Technology Data Exchange (ETDEWEB)

    Pochec, Ewelina, E-mail: epochec@wat.edu.pl [Department of Advanced Materials and Technology, Military University of Technology (Poland); Jozwiak, Stanislaw; Karczewski, Krzysztof; Bojar, Zbigniew [Department of Advanced Materials and Technology, Military University of Technology (Poland)

    2012-10-10

    Highlights: Black-Right-Pointing-Pointer The sintering temperature and compaction pressure have a strong influence on the sinters structure. Black-Right-Pointing-Pointer The measurements confirmed the presence of the high-aluminium phases from Fe-Al equilibrium system in tested sinters. Black-Right-Pointing-Pointer The kinetics of Fe-Al phase formation can be described by Johnson-Mehl-Avrami modelling. - Abstract: The influence of technological parameters (compaction pressure and sintering temperature) on Fe-Al phase formation was investigated. The kinetics of phase transformation preceding and during an SHS reaction was studied in isothermal conditions by DSC using the JMA (Johnson-Mehl-Avrami) model. This model allowed us to determine basic kinetic parameters, including the Avrami exponent, which characterises the rate and manner of particular phase nucleation. The activation energy (E{sub a}) of particular phase formation was determined by the Kissinger method. XRD analysis and SEM observations of sintered material showed that not only Fe{sub 2}Al{sub 5} phase and low-aluminium solid solution in iron but also aluminium-rich FeAl{sub 2} and FeAl{sub 3} phases are formed during the sintering of an FeAl50 elementary powder mixture in isothermal conditions with an SHS reaction. The above conclusions were confirmed by iron-based solid solution lattice parameter studies and microhardness measurements.

  10. Fruit waste adsorbent for ammonia nitrogen removal from synthetic solution: Isotherms and kinetics

    Science.gov (United States)

    Zahrim, AY; Lija, Y.; Ricky, L. N. S.; Azreen, I.

    2016-06-01

    In this study, four types of watermelon rind (WR) adsorbents; fresh WR, modified WR with sodium hydroxide (NaOH), potassium hydroxide (KOH) and sulphuric acid (H2SO4) were used as a potential low-cost adsorbent to remove NH3-N from solution. The adsorption data were fitted with the adsorption isotherm and kinetic models to predict the mechanisms and kinetic characteristics of the adsorption process. The equilibrium data agreed well with Langmuir isotherm model with highest correlation (R2=1.00). As for kinetic modelling, the adsorption process follows pseudo-second order for all four types of adsorbents which has R2 value of 1.0 and calculated adsorption capacity, Qe of 1.2148mg/g. The calculated Qe for pseudo-second order has the smallest difference with the experimental Qe and thus suggest that this adsorption process is mainly governed by chemical process involving cations sharing or exchange between WR adsorbent and NH3-N in the solution.

  11. Experimental study of water desorption isotherms and thin-layer convective drying kinetics of bay laurel leaves

    Science.gov (United States)

    Ghnimi, Thouraya; Hassini, Lamine; Bagane, Mohamed

    2016-12-01

    The aim of this work is to determine the desorption isotherms and the drying kinetics of bay laurel leaves ( Laurus Nobilis L.). The desorption isotherms were performed at three temperature levels: 50, 60 and 70 °C and at water activity ranging from 0.057 to 0.88 using the statistic gravimetric method. Five sorption models were used to fit desorption experimental isotherm data. It was found that Kuhn model offers the best fitting of experimental moisture isotherms in the mentioned investigated ranges of temperature and water activity. The Net isosteric heat of water desorption was evaluated using The Clausius-Clapeyron equation and was then best correlated to equilibrium moisture content by the empirical Tsami's equation. Thin layer convective drying curves of bay laurel leaves were obtained for temperatures of 45, 50, 60 and 70 °C, relative humidity of 5, 15, 30 and 45 % and air velocities of 1, 1.5 and 2 m/s. A non linear regression procedure of Levenberg-Marquardt was used to fit drying curves with five semi empirical mathematical models available in the literature, The R2 and χ2 were used to evaluate the goodness of fit of models to data. Based on the experimental drying curves the drying characteristic curve (DCC) has been established and fitted with a third degree polynomial function. It was found that the Midilli Kucuk model was the best semi-empirical model describing thin layer drying kinetics of bay laurel leaves. The bay laurel leaves effective moisture diffusivity and activation energy were also identified.

  12. Magnetic vinylphenyl boronic acid microparticles for Cr(VI) adsorption: Kinetic, isotherm and thermodynamic studies

    International Nuclear Information System (INIS)

    Kara, Ali; Demirbel, Emel; Tekin, Nalan; Osman, Bilgen; Beşirli, Necati

    2015-01-01

    Highlights: • Cr(VI) can oxidize biological molecules and be one of the most harmful substance. • Magnetic seperation techniques are used on different applications in many fields. • Magnetic systems can be used for rapid and selective removal as a magnetic processor. • We investigate properties of both new material and other magnetic adsorbents reported in the literatures on the adsorption of Cr(VI) ions. • No researchments were reported on adsorption of Cr(VI) with magnetic vinylphenyl boronic acid microparticles. - Abstract: Magnetic vinylphenyl boronic acid microparticles, poly(ethylene glycol dimethacrylate(EG)–vinylphenyl boronic acid(VPBA)) [m-poly(EG–VPBA)], produced by suspension polymerization and characterized, was found to be an efficient solid polymer for Cr(VI) adsorption. The m-poly(EG–VPBA) microparticles were prepared by copolymerizing of ethylene glycol dimethylacrylate (EG) with 4-vinyl phenyl boronic acid (VPBA). The m-poly(EG–VPBA) microparticles were characterized by N 2 adsorption/desorption isotherms, electron spin resonance (ESR), X-ray diffraction (XRD), fourier transform infrared spectroscopy (FTIR), thermal gravimetric analysis (TGA), elemental analysis, scanning electron microscope (SEM) and swelling studies. The m-poly(EG–VPBA) microparticles were used at adsorbent/Cr(VI) ion ratios. The influence of pH, Cr(VI) initial concentration, temperature of the removal process was investigated. The maximum removal of Cr(VI) was observed at pH 2. Langmuir isotherm and Dubinin–Radushkvich isotherm were found to better fit the experiment data rather than Fruendlich isotherm. The kinetics of the adsorption process of Cr(VI) on the m-poly(EG–VPBA) microparticles were investigated using the pseudo first-order, pseudo-second-order, Ritch-second-order and intraparticle diffusion models, results showed that the pseudo-second order equation model provided the best correlation with the experimental results. The thermodynamic

  13. Computer simulation of the steam--graphite reaction under isothermal and steady-state conditions

    International Nuclear Information System (INIS)

    Joy, D.S.; Stem, S.C.

    1975-05-01

    A mathematical model was formulated to describe the isothermal, steady-state diffusion and reaction of steam in a graphite matrix. A generalized Langmuir-Hinshelwood equation is used to represent the steam-graphite reaction rate. The model also includes diffusion in the gas phase adjacent to the graphite matrix. A computer program, written to numerically integrate the resulting differential equations, is described. The coupled nonlinear differential equations in the graphite phase are solved using the IBM Continuous System Modeling Program. Classical finite difference techniques are used for the gas-phase calculations. An iterative procedure is required to couple the two sets of calculations. Several sample problems are presented to demonstrate the utility of the model. (U.S.)

  14. Desorption isotherms and isosteric heat of 'cajuzinho-do-cerrado' achenes

    Directory of Open Access Journals (Sweden)

    Karine F. Barbosa

    2016-05-01

    Full Text Available ABSTRACT The objective of this study was to determine the desorption isotherms of 'cajuzinho-do-cerrado' achenes (Anacardium humile St. Hil. in various conditions of temperature and water activity, as well as to select the one that best represents the phenomenon and to determine the isosteric heat of desorption. The fruits were collected at the Emas National Park, in the municipality of Mineiros-GO, Brazil, pulped and then subjected to drying in silica gel at temperature of 25 ± 2 °C until the moisture contents of 17.6, 13.6, 11.1, 8.7 and 5.3 (d.b.%. After drying, the desorption isotherms were determined by the indirect static method. The water activity (Aw was determined at different temperatures, and the achenes were placed in a B.O.D. chamber, regulated at 10, 20, 30 and 40 °C. Data of hygroscopic equilibrium moisture content were fitted to different mathematical models through non-linear regression analysis, using the Gauss-Newton method. The Copace model was the one that best represented the hygroscopicity of 'cajuzinho-do-cerrado' achenes, while the integral isosteric heat of desorption of 'cajuzinho-do-cerrado' achenes for the moisture content range of 4.51 to 13.40 (% d.b. varied from 2,734.82 to 2,548.49 kJ kg-1.

  15. High Pressure Adsorption Isotherm of CO2 on Activated Carbon using Volumetric Method

    Directory of Open Access Journals (Sweden)

    Awaludin Martin

    2011-05-01

    Full Text Available Adsorption system is ones of the most effective methods for CO2 separating with other substances that produced from the burning of fossil fuels. In the design for that application, beside of characteristics of porous material (adsorbent data, CO2 adsorption data on the adsorbent (kinetic and thermodynamic are also needed. The aim of this research is resulting isothermal adsorption data at pressures up to 3.5 MPa by indirect methods (volumetric method at isothermal temperature of 300, 308, 318 and 338 K. Adsorbent that used in this research is activated carbon made from East of Kalimantan coals by physical activation method (CO2 which is the surface area of activated carbon is 668 m2/g and pore volume is 0.47 mL/g. Carbon dioxide (CO2 that used in this research is high purity carbon dioxide with a purity of 99.9%. Data from the experiment results then correlated using the Langmuir and Toth equations model. The results showed that the maximum adsorption capacity is 0.314 kg/kg at 300 K and 3384.69 kPa. The results of regression of experiment data using Langmuir and Toth models were 3.4% and 1.7%.

  16. Adsorptive removal of malachite green from aqueous solutions by almond gum: Kinetic study and equilibrium isotherms.

    Science.gov (United States)

    Bouaziz, Fatma; Koubaa, Mohamed; Kallel, Fatma; Ghorbel, Rhoudha Ellouz; Chaabouni, Semia Ellouz

    2017-12-01

    This work aimed at investigating the potential of almond gum as low cost adsorbent for the removal of the cationic dye; malachite green from aqueous solutions. Almond gum was first analyzed by scanning electron microscopy (SEM) and Fourier transforms infrared spectroscopy (FTIR), and then the adsorption behavior was studied in batch system. The effects of the adsorption parameters (adsorbent dose, pH, contact time, particle size, initial dye concentration, temperature and agitation) on the dye removal have been studied. Adsorption equilibrium and isotherms were evaluated depending on temperature using the isotherms of Freundlich, Langmuir, and Tempkin. The obtained result showed that both Langmuir and Freundlich models were adapted to study the dye sorption. The maximum adsorption capacities were equal to 172.41mg/g, 181.81mg/g, and 196.07mg/g at 303.16K, 313.16K, and 323.16K, respectively. The kinetics of sorption were following the pseudo-second order model. The thermodynamic changes in enthalpy (ΔH), entropy (ΔS), and free energy (ΔG) indicated that the adsorption of malachite green at the surface of almond gum is endothermic and occurs spontaneously. Desorption experiments were conducted to regenerate almond gum, showing great desorption capacity when using HCl at pH 2. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Adsorptive Removal of Reactive Black 5 from Wastewater Using Bentonite Clay: Isotherms, Kinetics and Thermodynamics

    Directory of Open Access Journals (Sweden)

    Muhammad Tahir Amin

    2015-11-01

    Full Text Available The studies of the kinetics and isotherms adsorption of the Reactive Black 5 (RB5 onto bentonite clay were explored in a batch study in a laboratory. The maximum RB5 adsorption conditions of bentonite clay were optimized such as shaking speed (100 rpm, temperature (323 K, pH (10, contact time (40 min, initial dye concentration (170 mg·L−1, and particle size (177 µm. The adsorbent surface was characterized using Fourier Transform Infrared Spectroscopy spectroscopy. The mechanisms and characteristic parameters of the adsorption process were analyzed using two parameter isotherm models which revealed the following order (based on the coefficient of determination: Harkin-Jura (0.9989 > Freundlich (0.9986 and Halsey (0.9986 > Langmuir (0.9915 > Temkin (0.9818 > Dubinin–Radushkevich (0.9678. This result suggests the heterogeneous nature of bentonite clay. Moreover, the adsorption process was chemisorption in nature because it follows the pseudo-second order reaction model with R2 value of 0.9998, 0.9933 and 0.9891 at 25, 75 and 100 mg·L−1 RB5 dye in the solution, respectively. Moreover, based on the values of standard enthalpy, Gibbs free energy change, and entropy, bentonite clay showed dual nature of exothermic and endothermic, spontaneous and non-spontaneous as well as increased and decreased randomness at solid–liquid interface at 303–313 K and 313–323 K temperature, respectively.

  18. Removal of reactive blue 19 dyes from textile wastewater by pomegranate seed powder: Isotherm and kinetic studies

    Directory of Open Access Journals (Sweden)

    Mahboobeh Dehvari

    2016-01-01

    Full Text Available Aims: The aim of this study was the evaluation of adsorption kinetics and equilibrium of reactive blue 19 dyes from textile synthetic wastewater by pomegranate seed powder. Materials and Methods: This study is an experimental research, which was performed in laboratory scale. In this study, the parameters such as adsorbent dose, pH and retention time, initial concentration of dye and agitation rate have been investigated. After washing and boiling of pomegranate seeds for 2 h, they dried, milled and finally pulverized by standard ASTM sieves (40-100 mesh. Maximum adsorption wave length (λmax by spectrophotometer ultra violet/visible (model SP-3000 Plus 592 nm was determined. The Langmuir, Freundlich and Temkin isotherm models and the pseudo-first-order and pseudo-second-order kinetic models were analyzed. Results: According to results, the removal efficiency with adsorbent dose, retention time and agitation rate has a direct relation. Maximum adsorption occurred in the first 60 min. The removal efficiency with initial concentration of dye and pH of solution has indirect relation. The Freundlich isotherm fits the experimental data better than the other isotherms. It was recognized that the adsorption followed by pseudo-second-order model (R2 > 0.99. Conclusion: Based on the results, pomegranate seeds as a new natural sorbent can be used in removal of dye and other environmental pollutants with desirable absorption capacity.

  19. Non-linear frequency response of non-isothermal adsorption controlled by micropore diffusion with variable diffusivity

    Directory of Open Access Journals (Sweden)

    MENKA PETKOVSKA

    2000-12-01

    Full Text Available The concept of higher order frequency response functions (FRFs is used for the analysis of non-linear adsorption kinetics on a particle scale, for the case of non-isothermal micropore diffusion with variable diffusivity. Six series of FRFs are defined for the general non-isothermal case. A non-linerar mathematical model is postulated and the first and second order FRFs derived and simulated. A variable diffusivity influences the shapes of the second order FRFs relating the sorbate concentration in the solid phase and t he gas pressure significantly, but they still keep their characteristics which can be used for discrimination of this from other kinetic mechanisms. It is also shown that first and second order particle FRFs offter sufficient information for an easy and fast estimation of all model parameters, including those defining the system non-linearity.

  20. Adsorption Isotherm of Chromium (Vi) into Zncl2 Impregnated Activated Carbon Derived by Jatropha Curcas Seed Hull

    Science.gov (United States)

    Mohammad, M.; Yakub, I.; Yaakob, Z.; Asim, N.; Sopian, K.

    2017-12-01

    Hexavalent chromium is carcinogenic and should be removed from industrial wastewater before discharged into water resources. Adsorption by using activated carbon from biomass is an economic and conventional way on removing the heavy metal ions from wastewater. In this research, activated carbon is synthesized from Jatropha curcas L. seed hull through chemical activation with ZnCl2 and carbonized at 800 °C (JAC/ZnCl2). The activated carbon has been characterized using FTIR, SEM-EDX, BET and CHNS-O analyzer. Adsorption isotherms have been analysed using Langmuir and Freundlich models to determine its removal mechanism. The maximum adsorption capacity of Cr (VI) metal ions onto JAC/ZnCl2 activated carbon is 25.189 mg/g and following Langmuir isotherm model which is monolayer adsorption.

  1. Effect of hydrophobicity of pharmaceuticals and personal care products for adsorption on activated carbon: Adsorption isotherms, kinetics and mechanism.

    Science.gov (United States)

    Kaur, Harkirat; Bansiwal, Amit; Hippargi, Girivyankatesh; Pophali, Girish R

    2017-09-11

    Adsorption of three pharmaceuticals and personal care products (PPCPs), namely caffeine, ibuprofen and triclosan on commercial powdered activated carbon was examined in aqueous medium. The contaminants were chosen based on their diverse log K ow (octanol-water partition coefficient) viz. - 0.07 for caffeine, 3.97 for ibuprofen and 4.76 for triclosan to examine the role of hydrophobicity on adsorption process. The adsorbent characterisation was achieved using BET surface area, SEM, pore size distribution studies and FTIR. Influence of mass of PAC, contact time, solution pH and initial concentration on adsorption capacity of PAC was studied. Adsorption isotherms and kinetics were applied to establish the mechanism of adsorption. The kinetics followed pseudo-second order with physisorption occurring through particle diffusion. The Freundlich model fitted best among the isotherm models. The adsorption capacity increased in the order CFN activated carbon.

  2. PENGARUH ISOTERM SORPSI AIR TERHADAP STABILITAS BERAS UBI [Effect of Moisture Sorption Isotherm to Stability of “Sweet Potato Rice”

    Directory of Open Access Journals (Sweden)

    Sri Widowati1*

    2010-12-01

    Full Text Available “Sweet Potato Rice” stability as a dry food product was determined by water activity (aw and equilibrium moisture content (Me. This relationship is known as moisture sorption isotherm. This research were aimed 1 to study moisture sorption isotherm of “Sweet Potato Rice” from sweet potato flour (Cangkuang variety and native/heat moisture treatment (HMT starch which was stored at the range of aw:0.06 - 0.96 and 28oC; 2 to determine an appropriate model for describing product moisture sorption isotherm and 3 to predict “Sweet Potato Rice” shelf of life. Experimental design used was a random complete design with two factor, namely: 1 sweet potato starch: native and HMT, and 2 packaging material: polyethylene (PE and polypropylene (PP.The result showed that the moisture sorption isotherm profiles were sigmoid. Smith equation was the best model which described moisture sorption isotherm with R2= 0,991-0,993 for adsorption and R2= 0,964-0,971 for desorption. Shelf life test showed that “Sweet Potato Rice” from Cangkuang flour and modified starch had longer shelf life (5.67 months when packed in PP bag and 2.3 months when packed in PE bag; while shelf life artificial sweet potato made from Cangkuang flour and native starch was 4.24 months when packed in PP bag and 1.72 months when packed in PE bag.

  3. Simple and Efficient Synthesis of Iron Oxide-Coated Silica Gel Adsorbents for Arsenic Removal: Adsorption Isotherms and Kinetic Study

    Energy Technology Data Exchange (ETDEWEB)

    Arifin, Eric; Lee, Jiukyu [Interdisciplinary Program in Nanoscience and Technology, Virginia (United States); Cha, Jinmyung [Seoul National Univ., Seoul (Korea, Republic of)

    2013-08-15

    Iron oxide (ferrihydrite, hematite, and magnetite) coated silica gels were prepared using a low-cost, easily-scalable and straightforward method as the adsorbent material for arsenic removal application. Adsorption of the anionic form of arsenic oxyacids, arsenite (AsO{sup 2-}) and arsenate (AsO{sub 4}{sup -3}), onto hematite coated silica gel was fitted against non-linear 3-parameter-model Sips isotherm and 2-parameter-model Langmuir and Freundlich isotherm. Adsorption kinetics of arsenic could be well described by pseudo-second-order kinetic model and value of adsorption energy derived from non-linear Dubinin-Radushkevich isotherm suggests chemical adsorption. Although arsenic adsorption process was not affected by the presence of sulfate, chloride, and nitrate anions, as expected, bicarbonate and silicate gave moderate negative effects while the presence of phosphate anions significantly inhibited adsorption process of both arsenite and arsenate. When the actual efficiency to remove arsenic was tested against 1 L of artificial arsenic-contaminated groundwater (0.6 mg/L) in the presence competing anions, the reasonable amount (20 g) of hematite coated silica gel could reduce arsenic concentration to below the WHO permissible safety limit of drinking water of 10 μg/L without adjusting pH and temperature, which would be highly advantageous for practical field application.

  4. Adsorption of hazardous cationic dye onto the combustion derived SrTiO3 nanoparticles: Kinetic and isotherm studies

    Directory of Open Access Journals (Sweden)

    N.P. Bhagya

    2016-03-01

    Full Text Available In this article we report on solution combustion method to synthesize SrTiO3 nanoparticles (ST-NPs and the removal of malachite green (MG azo dye from the aqueous solution. The synthesized ST-NPs were calcined at 600 °C for 2 h. Powder X-ray diffraction (PXRD, field emission scanning electron microscopy (FE-SEM, transmission electron microscopy (TEM, Fourier transform infrared spectroscopy (FT-IR, and Brunauer–Emmett–Teller (BET were used to characterize the product. Adsorption experiments were performed with cationic malachite green (MG dye. ∼98% dye was adsorbed onto the ST-NPs at pH 10 for 30 min of the contact time. The optimum adsorbent dose was found to be 0.015 g/L of the dye. To study the adsorption kinetics Langmuir Hinshelwood model was used and the first order kinetic best describes the MG adsorption onto the ST-NPs. The adsorption isotherms data of MG onto ST-NPs obtained were analyzed by Langmuir and Freundlich isotherm models and the results describe the best representation of the Langmuir isotherm model.

  5. The oxidation kinetics of zircaloy - 4 under isothermal conditions

    International Nuclear Information System (INIS)

    Santos, A.M.M. dos; Cardoso, P.E.

    1982-01-01

    The oxidation kinetics of zircaloy-4 tubes was studied by means of isothermal tests in the temperature interval 500 0 C to 900 0 C. Dry oxygen and water steam, were used as oxidant agents. The results show that the oxidation kinetics law exhibits a behaviour from cubic to parabolic in the range of the time and temperatures of the experiment. Dry oxygen shows a stronger oxidation effect than water steam. A special mechanical test to study the embrittlement effect in the small samples of zircaloy tubes was used. (Author) [pt

  6. High Nitrogen Austenitic Stainless Steel Precipitation During Isothermal Annealing

    Directory of Open Access Journals (Sweden)

    Maria Domankova

    2016-07-01

    Full Text Available The time-temperature-precipitation in high-nitrogen austenitic stainless steel was investigated using light optical microscopy, transmission electron microscopy, selected area diffraction and energy-dispersive X-ray spectroscopy. The isothermal precipitation kinetics curves and the corresponding precipitation activation energy were obtained. The diffusion activation energy of M2N precipitation is 129 kJ/mol. The results show that critical temperature for M2N precipitation is about 825°C with the corresponding incubation period 2.5 min.

  7. Isothermal solidification based packaging of biosensors at low temperatures

    International Nuclear Information System (INIS)

    Sharma, R.P.; Khanna, P.K.; Kumar, D.

    2010-01-01

    Thick film Au printed square contact pads are interconnected to Cu substrates at constant pressure and temperature using the isothermal solidification of Bi-In alloy on the joining surfaces. The effect of reaction time on the mechanical strength of the package has been analyzed. Thermal stability of the fabricated specimens have been measured and discussed. The delaminated surfaces examined optically reveal the morphology of the metallization zones on the joining substrates. The scanning electron microscopy of these surfaces is reported in this paper. Tests for thermal shock, pH resistivity and shelf life have been carried out to predict the reliability of the packaging for long term applications.

  8. Isothermal martensitic transformation as an internal-stress-increasing process

    International Nuclear Information System (INIS)

    Liu, Y.; Xie, Z.L.; Haenninen, H.; Humbeeck, J. van; Pietikaeinen, J.

    1995-01-01

    Based on the results that the magnitude of the stabilization of retained austenite increases with increasing the amount of martensite transformed, it has been assumed that the martensitic transformation is accompanied with an increase in internal resisting stress which subsequently results in the stabilization of retained austenite. By simplifying this internal resisting stress to be a type of hydrostatic compressive stress acting on retained austenite due to surrounding martensite plates, a thermodynamical analysis for an isothermal martensitic transformation under applied hydrostatic pressure has been performed. The calculated results, to some extent, show a good agreement with the experimental data. (orig.)

  9. Numerical study of inflow conditions on a turbulent isothermal or heated plane jet; Etude numerique des conditions d'emission sur un ecoulement de type jet plan turbulent isotherme ou chauffe

    Energy Technology Data Exchange (ETDEWEB)

    Mhiri, H.; Habli, S.; El Golli, S. [Ecole Nationale d' Ingenieurs de Monastir (Tunisia); Le Palec, G.; Bournot, Ph. [Institut de Mecanique de Marseille (France)

    1999-11-01

    We intend to solve equations governing turbulent plane-vertical isotherm and non isotherm jets by taking into account inflow conditions at the exit of the nozzle. The analysis is focused on the influence of these conditions on this type of flow. Two cases are considered (uniform and parabolic velocity and temperature profiles). A finite difference scheme is developed to solve the governing equations. This numeric model allows us to show that the region of fully developed regime begins much nearer the nozzle for the turbulent case than for the laminar flow case. Indeed, the turbulence increases the mixing between the incoming gas from the nozzle and the ambient fluid, and consequently the size of the potential core zone decreases. The results are compared to other works introducing mathematical variables based on the energy conservation for the case of the mixed convection and the momentum conservation for the forced convection, which allows the validation of our results. (authors)

  10. Manufacturing of Nanostructured Rings from Previously ECAE-Processed AA5083 Alloy by Isothermal Forging

    Directory of Open Access Journals (Sweden)

    C. J. Luis

    2013-01-01

    Full Text Available The manufacturing of a functional hollow mechanical element or ring of the AA5083 alloy previously equal channel angular extrusion (ECAE processed, which presents a submicrometric microstructure, is dealt with. For this purpose, the design of two isothermal forging dies (preform and final shape is carried out using the design of experiments (DOE methodology. Moreover, after manufacturing the dies and carrying out tests so as to achieve real rings, the mechanical properties of these rings are analysed as well as their microstructure. Furthermore, a comparison between the different forged rings is made from ECAE-processed material subjected to different heat treatments, previous to the forging stage. On the other hand, the ring forging process is modelled through the use of finite element simulation in order to improve the die design and to study the force required for the isothermal forging, the damage value, and the strain the material predeformed by ECAE has undergone. With this present research work, it is intended to improve the knowledge about the mechanical properties of nanostructured material and the applicability of this material to industrial processes that allow the manufacturing of functional parts.

  11. Large eddy simulations of isothermal confined swirling flow in an industrial gas-turbine

    International Nuclear Information System (INIS)

    Bulat, G.; Jones, W.P.; Navarro-Martinez, S.

    2015-01-01

    Highlights: • We conduct a large eddy simulation of an industrial gas turbine. • The results are compared with measurements obtained under isothermal conditions. • The method reproduces the observed precessing vortex and central vortex cores. • The profiles of mean and rms velocities are found to be captured to a good accuracy. - Abstract: The paper describes the results of a computational study of the strongly swirling isothermal flow in the combustion chamber of an industrial gas turbine. The flow field characteristics are computed using large eddy simulation in conjunction with a dynamic version of the Smagorinsky model for the sub-grid-scale stresses. Grid refinement studies demonstrate that the results are essentially grid independent. The LES results are compared with an extensive set of measurements and the agreement with these is overall good. The method is shown to be capable of reproducing the observed precessing vortex and central vortex cores and the profiles of mean and rms velocities are found to be captured to a good accuracy. The overall flow structure is shown to be virtually independent of Reynolds number

  12. Moisture Sorption Isotherms and Properties of Sorbed Water of Neem ( Azadirichta indica A. Juss) Kernels

    Science.gov (United States)

    Ngono Mbarga, M. C.; Bup Nde, D.; Mohagir, A.; Kapseu, C.; Elambo Nkeng, G.

    2017-01-01

    A neem tree growing abundantly in India as well as in some regions of Asia and Africa gives fruits whose kernels have about 40-50% oil. This oil has high therapeutic and cosmetic qualities and is recently projected to be an important raw material for the production of biodiesel. Its seed is harvested at high moisture contents, which leads tohigh post-harvest losses. In the paper, the sorption isotherms are determined by the static gravimetric method at 40, 50, and 60°C to establish a database useful in defining drying and storage conditions of neem kernels. Five different equations are validated for modeling the sorption isotherms of neem kernels. The properties of sorbed water, such as the monolayer moisture content, surface area of adsorbent, number of adsorbed monolayers, and the percent of bound water are also defined. The critical moisture content necessary for the safe storage of dried neem kernels is shown to range from 5 to 10% dry basis, which can be obtained at a relative humidity less than 65%. The isosteric heats of sorption at 5% moisture content are 7.40 and 22.5 kJ/kg for the adsorption and desorption processes, respectively. This work is the first, to the best of our knowledge, to give the important parameters necessary for drying and storage of neem kernels, a potential raw material for the production of oil to be used in pharmaceutics, cosmetics, and biodiesel manufacturing.

  13. ISOTHERMAL AIR INGRESS VALIDATION EXPERIMENTS AT IDAHO NATIONAL LABORATORY: DESCRIPTION AND SUMMARY OF DATA

    International Nuclear Information System (INIS)

    Oh, Chang H.; Kim, Eung S.

    2010-01-01

    Idaho National Laboratory performed air ingress experiments as part of validating computational fluid dynamics code (CFD). An isothermal stratified flow experiment was designed and set to understand stratified flow phenomena in the very high temperature gas cooled reactor (VHTR) and to provide experimental data for validating computer codes. The isothermal experiment focused on three flow characteristics unique in the VHTR air-ingress accident: stratified flow in the horizontal pipe, stratified flow expansion at the pipe and vessel junction, and stratified flow around supporting structures. Brine and sucrose were used as heavy fluids and water was used as light fluids. The density ratios were changed between 0.87 and 0.98. This experiment clearly showed that a stratified flow between heavy and light fluids is generated even for very small density differences. The code was validated by conducting blind CFD simulations and comparing the results to the experimental data. A grid sensitivity study was also performed based on the Richardson extrapolation and the grid convergence index method for modeling confidence. As a result, the calculated current speed showed very good agreement with the experimental data, indicating that the current CFD methods are suitable for predicting density gradient stratified flow phenomena in the air-ingress accident.

  14. The non-isothermal DSC kinetics of polyethylene tereftalate–epoxy compatible blends

    International Nuclear Information System (INIS)

    Zvetkov, V.L.; Djoumaliisky, S.; Simeonova-Ivanova, E.

    2013-01-01

    Highlights: ► The non-isothermal DSC kinetics of the reaction of DGEBA with DDS, in particular in the presence of phase separating PET, has been studied. ► The specific features in the kinetics of PET formulations in comparison to the pure system have been discussed. ► The fast pre-curing of the epoxy phase allows supposing sub-micro phase separation of PET and efficient toughening of the epoxy matrix. - Abstract: Polyethylene tereftalate has been dissolved in an epoxy resin based on diglycidyl ether of bisphenol-A, DGEBA, and the epoxy component has been cross-linked with the aid of two diamine hardeners. Two series of samples have been tested at the epoxy-amine stoichiometry applying the differential scanning calorimetry, DSC, in scanning mode. One of the series of samples was pre-cured at low temperatures with the aid of an aliphatic diamine hardener near the gel point and post-cured with diaminodiphenyl sulfone, DDS. The other series of samples contained the higher temperature hardener only. Consequently, the experimental data obtained in this study on both systems relate to the non-isothermal curing of DGEBA with DDS. The kinetics has been estimated applying preferably isoconversional (model free) methods. It has been established that the fast pre-curing allows performing a sub-micro phase separation and efficient toughening of the epoxy matrix

  15. The non-isothermal DSC kinetics of polyethylene tereftalate–epoxy compatible blends

    Energy Technology Data Exchange (ETDEWEB)

    Zvetkov, V.L., E-mail: zvetval@yahoo.com [Institute of Mechanics, Bulgarian Academy of Sciences, bl. I, Sofia 1113 (Bulgaria); Djoumaliisky, S.; Simeonova-Ivanova, E. [Institute of Mechanics, Bulgarian Academy of Sciences, bl. I, Sofia 1113 (Bulgaria)

    2013-02-10

    Highlights: ► The non-isothermal DSC kinetics of the reaction of DGEBA with DDS, in particular in the presence of phase separating PET, has been studied. ► The specific features in the kinetics of PET formulations in comparison to the pure system have been discussed. ► The fast pre-curing of the epoxy phase allows supposing sub-micro phase separation of PET and efficient toughening of the epoxy matrix. - Abstract: Polyethylene tereftalate has been dissolved in an epoxy resin based on diglycidyl ether of bisphenol-A, DGEBA, and the epoxy component has been cross-linked with the aid of two diamine hardeners. Two series of samples have been tested at the epoxy-amine stoichiometry applying the differential scanning calorimetry, DSC, in scanning mode. One of the series of samples was pre-cured at low temperatures with the aid of an aliphatic diamine hardener near the gel point and post-cured with diaminodiphenyl sulfone, DDS. The other series of samples contained the higher temperature hardener only. Consequently, the experimental data obtained in this study on both systems relate to the non-isothermal curing of DGEBA with DDS. The kinetics has been estimated applying preferably isoconversional (model free) methods. It has been established that the fast pre-curing allows performing a sub-micro phase separation and efficient toughening of the epoxy matrix.

  16. Simultaneous removal of potent cyanotoxins from water using magnetophoretic nanoparticle of polypyrrole: adsorption kinetic and isotherm study.

    Science.gov (United States)

    Hena, S; Rozi, R; Tabassum, S; Huda, A

    2016-08-01

    Cyanotoxins, microcystins and cylindrospermopsin, are potent toxins produced by cyanobacteria in potable water supplies. This study investigated the removal of cyanotoxins from aqueous media by magnetophoretic nanoparticle of polypyrrole adsorbent. The adsorption process was pH dependent with maximum adsorption occurring at pH 7 for microcystin-LA, LR, and YR and at pH 9 for microcystin-RR and cylindrospermopsin (CYN). Kinetic studies and adsorption isotherms reflected better fit for pseudo-second-order rate and Langmuir isotherm model, respectively. Thermodynamic calculations showed that the cyanotoxin adsorption process is endothermic and spontaneous in nature. The regenerated adsorbent can be successfully reused without appreciable loss of its original capacity.

  17. Removal of Dye (Blue 56 From Aqueous Solution via Adsorption onto Pistachio Shell: kinetic and isotherm study of removal process

    Directory of Open Access Journals (Sweden)

    A. Ravanpaykar

    2012-03-01

    Full Text Available In the present investigation, shells of pistachio are used as adsorbents and they have been successfully used for the removal of Blue 56, from water samples. The effect of various parameters such as: pH, amounts of adsorbents, size of adsorbent particles and contact time on removal processing were investigated. Inthisstudy Freundlichabsorptionisotherms and Langmuir were investigated. The experimental data were correlated reasonably well by the Freundlich adsorption isotherm and isotherm parameters were calculated. In order to investigate the efficiency of Blue 56 adsorption on the pistachio shell, pseudo-first-order, pseudo-second-order, Elovich and intra-particle diffusion kinetic models were studied. Themodel that hadgoodcorrelationtoattractFreundlichwas chosenasthemodel. Its kineticsfollowsthepseudosecond order reaction.

  18. A novel approach for evaluating the performance of real time quantitative loop-mediated isothermal amplification-based methods

    Directory of Open Access Journals (Sweden)

    Gavin J. Nixon

    2014-12-01

    Full Text Available Molecular diagnostic measurements are currently underpinned by the polymerase chain reaction (PCR. There are also a number of alternative nucleic acid amplification technologies, which unlike PCR, work at a single temperature. These ‘isothermal’ methods, reportedly offer potential advantages over PCR such as simplicity, speed and resistance to inhibitors and could also be used for quantitative molecular analysis. However there are currently limited mechanisms to evaluate their quantitative performance, which would assist assay development and study comparisons. This study uses a sexually transmitted infection diagnostic model in combination with an adapted metric termed isothermal doubling time (IDT, akin to PCR efficiency, to compare quantitative PCR and quantitative loop-mediated isothermal amplification (qLAMP assays, and to quantify the impact of matrix interference. The performance metric described here facilitates the comparison of qLAMP assays that could assist assay development and validation activities.

  19. Thermal-mechanical and isothermal fatigue of IN 792 CC

    International Nuclear Information System (INIS)

    Beck, T.; Pitz, G.; Lang, K.-H.; Loehe, D.

    1997-01-01

    The cyclic deformation and lifetime behaviour of the cast Ni-base superalloy IN 792 CC was investigated both under thermal-mechanical fatigue (TMF) and isothermal fatigue (IF) conditions. During TMF the phase relations between temperature and mechanical strain were in-phase and out-of-phase, respectively. For both phase relations a similar cyclic deformation behaviour is observed. In all cases out-of-phase TMF causes tensile mean stresses, whereas in-phase TMF leads to compressive mean stresses. At T max below 800 C out-of-phase cycling results in smaller lifetimes than in-phase loading. In spite of the rather high compressive mean stresses developing at T max above 800 C, at these temperatures in-phase loading causes shorter lifetimes than out-of-phase TMF. This effect is due to the different damage mechanisms caused by in-phase and out-of-phase loadings: at higher T max considerable intergranular damage caused by in-phase loading reduces the lifetime below the respective values measured during out-of-phase TMF, after which no intergranular damage could be detected. A comparison of the TMF data with the cyclic deformation and lifetime behaviour under IF conditions shows that the material's reactions under TMF cannot be assessed satisfactorily by the results obtained from isothermal fatigue tests. (orig.)

  20. Thermistor based, low velocity isothermal, air flow sensor

    International Nuclear Information System (INIS)

    Cabrita, Admésio A C M; Mendes, Ricardo; Quintela, Divo A

    2016-01-01

    The semiconductor thermistor technology is applied as a flow sensor to measure low isothermal air velocities (<2 ms −1 ). The sensor is subjected to heating and cooling cycles controlled by a multifunctional timer. In the heating stage, the alternating current of a main AC power supply source guarantees a uniform thermistor temperature distribution. The conditioning circuit assures an adequate increase of the sensors temperature and avoids the thermal disturbance of the flow. The power supply interruption reduces the consumption from the source and extends the sensors life time. In the cooling stage, the resistance variation of the flow sensor is recorded by the measuring chain. The resistive sensor parameters proposed vary significantly and feature a high sensitivity to the flow velocity. With the aid of a computer, the data transfer, storage and analysis provides a great advantage over the traditional local anemometer readings. The data acquisition chain has a good repeatability and low standard uncertainties. The proposed method measures isothermal air mean velocities from 0.1 ms −1 to 2 ms −1 with a standard uncertainty error less than 4%. (paper)

  1. Isothermal Kinetics of Catalyzed Air Oxidation of Diesel Soot

    Directory of Open Access Journals (Sweden)

    R. Prasad

    2011-01-01

    Full Text Available To comply with the stringent emission regulations on soot, diesel vehicles manufacturers more and more commonly use diesel particulate filters (DPF. These systems need to be regenerated periodically by burning soot that has been accumulated during the loading of the DPF. Design of the DPF requires rate of soot oxidation. This paper describes the kinetics of catalytic oxidation of diesel soot with air under isothermal conditions. Kinetics data were collected in a specially designed mini-semi-batch reactor. Under the high air flow rate assuming pseudo first order reaction the activation energy of soot oxidation was found to be, Ea = 160 kJ/ mol. ©2010 BCREC UNDIP. All rights reserved(Received: 14th June 2010, Revised: 18th July 2010, Accepted: 9th August 2010[How to Cite: R. Prasad, V.R. Bella. (2010. Isothermal Kinetics of Catalyzed Air Oxidation of Diesel Soot. Bulletin of Chemical Reaction Engineering and Catalysis, 5(2: 95-101. doi:10.9767/bcrec.5.2.796.95-101][DOI:http://dx.doi.org/10.9767/bcrec.5.2.796.95-101 || or local:  http://ejournal.undip.ac.id/index.php/bcrec/article/view/796]Cited by in: ACS 1 |

  2. Isothermal reaction calorimetry as a tool for kinetic analysis

    International Nuclear Information System (INIS)

    Zogg, Andreas; Stoessel, Francis; Fischer, Ulrich; Hungerbuehler, Konrad

    2004-01-01

    Reaction calorimetry has found widespread application for thermal and kinetic analysis of chemical reactions in the context of thermal process safety as well as process development. This paper reviews the most important reaction calorimetric principles (heat-flow, heat-balance, power-compensation, and Peltier principle) and their applications in commercial or scientific devices. The discussion focuses on the different dynamic behavior of the main calorimetric principles during an isothermal reaction measurement. Examples of available reaction calorimeters are further compared considering their detection limit, time constant as well as temperature range. In a second part, different evaluation methods for the isothermally measured calorimetric data are reviewed and discussed. The methods will be compared, focusing especially on the fact that reaction calorimetric data always contains additional informations not directly related to the actual chemical reaction such as heat of mixing, heat of phase-transfer/change processes or simple measurement errors. Depending on the evaluation method applied such disturbances have a significant influence on the calculated reaction enthalpies or rate constants

  3. Reliable prediction of adsorption isotherms via genetic algorithm molecular simulation.

    Science.gov (United States)

    LoftiKatooli, L; Shahsavand, A

    2017-01-01

    Conventional molecular simulation techniques such as grand canonical Monte Carlo (GCMC) strictly rely on purely random search inside the simulation box for predicting the adsorption isotherms. This blind search is usually extremely time demanding for providing a faithful approximation of the real isotherm and in some cases may lead to non-optimal solutions. A novel approach is presented in this article which does not use any of the classical steps of the standard GCMC method, such as displacement, insertation, and removal. The new approach is based on the well-known genetic algorithm to find the optimal configuration for adsorption of any adsorbate on a structured adsorbent under prevailing pressure and temperature. The proposed approach considers the molecular simulation problem as a global optimization challenge. A detailed flow chart of our so-called genetic algorithm molecular simulation (GAMS) method is presented, which is entirely different from traditions molecular simulation approaches. Three real case studies (for adsorption of CO 2 and H 2 over various zeolites) are borrowed from literature to clearly illustrate the superior performances of the proposed method over the standard GCMC technique. For the present method, the average absolute values of percentage errors are around 11% (RHO-H 2 ), 5% (CHA-CO 2 ), and 16% (BEA-CO 2 ), while they were about 70%, 15%, and 40% for the standard GCMC technique, respectively.

  4. Thermal analysis of near-isothermal compressed gas energy storage system

    International Nuclear Information System (INIS)

    Odukomaiya, Adewale; Abu-Heiba, Ahmad; Gluesenkamp, Kyle R.; Abdelaziz, Omar; Jackson, Roderick K.; Daniel, Claus; Graham, Samuel; Momen, Ayyoub M.

    2016-01-01

    Highlights: • A novel, high-efficiency, scalable, near-isothermal, energy storage system is introduced. • A comprehensive analytical physics-based model for the system is presented. • Efficiency improvement is achieved via heat transfer enhancement and use of waste heat. • Energy storage roundtrip efficiency (RTE) of 82% and energy density of 3.59 MJ/m"3 is shown. - Abstract: Due to the increasing generation capacity of intermittent renewable electricity sources and an electrical grid ill-equipped to handle the mismatch between electricity generation and use, the need for advanced energy storage technologies will continue to grow. Currently, pumped-storage hydroelectricity and compressed air energy storage are used for grid-scale energy storage, and batteries are used at smaller scales. However, prospects for expansion of these technologies suffer from geographic limitations (pumped-storage hydroelectricity and compressed air energy storage), low roundtrip efficiency (compressed air energy storage), and high cost (batteries). Furthermore, pumped-storage hydroelectricity and compressed air energy storage are challenging to scale-down, while batteries are challenging to scale-up. In 2015, a novel compressed gas energy storage prototype system was developed at Oak Ridge National Laboratory. In this paper, a near-isothermal modification to the system is proposed. In common with compressed air energy storage, the novel storage technology described in this paper is based on air compression/expansion. However, several novel features lead to near-isothermal processes, higher efficiency, greater system scalability, and the ability to site a system anywhere. The enabling features are utilization of hydraulic machines for expansion/compression, above-ground pressure vessels as the storage medium, spray cooling/heating, and waste-heat utilization. The base configuration of the novel storage system was introduced in a previous paper. This paper describes the results

  5. Investigation of Acorn fruit Ash Efficiency in Cadmium Removal from Aqueous Solutions: Adsorption Isotherm and Kinetic Studies

    Directory of Open Access Journals (Sweden)

    Salman Zarei

    2014-12-01

    Full Text Available Background: Heavy metals are known as significant pollutants because of toxicity and nonbiodegradable characteristics. Cadmium is one of the heavy metals that have carcinogen potential. So, this study carried out in order to investigate the acorn fruit ash efficiency in cadmium removal from aqueous solutions. Methods: This study was done in the batch laboratory conditions. In this study, the effect of different parameters including pH, contact time, adsorbent dose, and initial cadmium concentration were evaluated. The Langmuir, Freundlich and Temkin isotherm models were used for analysis of the equilibrium isotherm. Adsorption kinetics of cadmium by different models were also investigated. The measurement of residual cadmium in the samples was determined by atomic absorption spectrophotometry at 228.8 nm. The SPSS-16 software was used for analysis of data. Results: According to the results, the maximum adsorption capacity of cadmium was 9.29 mg/g at pH=7 and 8 g/L adsorbent dose. The removal efficiency was increased with increasing contact time and decreased with increasing of cadmium initial concentration. Investigation of achieving data showed that the adsorption process followed better by Freundlich isotherm and the pseudo-second order kinetic. Conclusions: According to the results of this study, it could be concluded that the acorn fruit ash had high ability in cadmium adsorption and could be used as a cheap adsorbent in the removal of cadmium.

  6. Biosorption of the Copper and Cadmium Ions - a Study through Adsorption Isotherms Analysis

    Directory of Open Access Journals (Sweden)

    Marcia T. Veit

    2007-10-01

    Full Text Available In this work, the biosorption process of copper-cadmium ions binary mixture by using marine algae Sargassum filipendula was investigated. A set of experiments was performed to obtain equilibrium data for the given batch operational conditions - T=30°C, pH=5. The interpretation of equilibrium data was based on the binary adsorption isotherms models in the Langmuir and Freundlich forms. To evaluate the models parameters, nonlinear identification procedure was used based on the Least Square statistical method and SIMPLEX local optimizer. An analysis of the obtained results showed that the marine algae biomass has higher affinity to copper ions than to cadmium ones. The biomass maximum adsorption capacity for the binary system was about 1.16 meq/g.

  7. Thermal and isothermal low cycle fatigue of MANET I and II

    International Nuclear Information System (INIS)

    Petersen, C.; Schmitt, R.; Garnier, D.

    1996-01-01

    Structural components of a DEMO-blanket are subjected during service to alternating thermal and mechanical stresses as a consequence of the pulsed reactor operation. Of particular concern is the fatigue endurance of martensitic steels like MANET under cyclic strains and stresses produced by these temperature changes. In order to design such structures, operating under combined mechanical and thermal cycling, fatigue life has to be calculated with reasonable accuracy. This paper proposes a description of thermal and isothermal mechanical low-cycle fatigue of MANET I and II steels using a single damage model, including plastic strain, temperature and strain rate as variables. This model presents notable advantages for the designer. As it corresponds to a single and continuous 'fatigue strength surface', it enables a reliable interpolation to be made throughout the studied domain of strains and temperatures, and allows for a reasonable extrapolation out of this domain, provided that no different metallurgical phenomena occur. (orig.)

  8. Considerations about the correct evaluation of sorption thermodynamic parameters from equilibrium isotherms

    International Nuclear Information System (INIS)

    Salvestrini, Stefano; Leone, Vincenzo; Iovino, Pasquale; Canzano, Silvana; Capasso, Sante

    2014-01-01

    Highlights: • Different methods to derive sorption thermodynamic parameters have been discussed. • ΔG° and, ΔS° values depend on the selected standard states. • Isosteric heat values help in evaluating the applicability of the sorption models. -- Abstract: This is a comparative analysis of popular methods currently in use to derive sorption thermodynamic parameters from temperature dependence of sorption isotherms. It is emphasized that the standard and isosteric thermodynamic parameters have sharply different meanings. Moreover, it is shown with examples how the sorption model adopted conditions the standard state and consequently the value of ΔG° and ΔS°. These trivial but often neglected aspects should carefully be considered when comparing thermodynamic parameters from different literature sources. An effort by the scientific community is needed to define criteria for the choice of the standard state in sorption processes

  9. Performance analysis of different tuning rules for an isothermal CSTR using integrated EPC and SPC

    Science.gov (United States)

    Roslan, A. H.; Karim, S. F. Abd; Hamzah, N.

    2018-03-01

    This paper demonstrates the integration of Engineering Process Control (EPC) and Statistical Process Control (SPC) for the control of product concentration of an isothermal CSTR. The objectives of this study are to evaluate the performance of Ziegler-Nichols (Z-N), Direct Synthesis, (DS) and Internal Model Control (IMC) tuning methods and determine the most effective method for this process. The simulation model was obtained from past literature and re-constructed using SIMULINK MATLAB to evaluate the process response. Additionally, the process stability, capability and normality were analyzed using Process Capability Sixpack reports in Minitab. Based on the results, DS displays the best response for having the smallest rise time, settling time, overshoot, undershoot, Integral Time Absolute Error (ITAE) and Integral Square Error (ISE). Also, based on statistical analysis, DS yields as the best tuning method as it exhibits the highest process stability and capability.

  10. Hardness of H13 Tool Steel After Non-isothermal Tempering

    Science.gov (United States)

    Nelson, E.; Kohli, A.; Poirier, D. R.

    2018-04-01

    A direct method to calculate the tempering response of a tool steel (H13) that exhibits secondary hardening is presented. Based on the traditional method of presenting tempering response in terms of isothermal tempering, we show that the tempering response for a steel undergoing a non-isothermal tempering schedule can be predicted. Experiments comprised (1) isothermal tempering, (2) non-isothermal tempering pertaining to a relatively slow heating to process-temperature and (3) fast-heating cycles that are relevant to tempering by induction heating. After establishing the tempering response of the steel under simple isothermal conditions, the tempering response can be applied to non-isothermal tempering by using a numerical method to calculate the tempering parameter. Calculated results are verified by the experiments.

  11. Equilibrium isotherm and kinetic studies for the simultaneous removal of phenol and cyanide by use of S. odorifera (MTCC 5700) immobilized on coconut shell activated carbon

    Science.gov (United States)

    Singh, Neetu; Balomajumder, Chandrajit

    2017-10-01

    In this study, simultaneous removal of phenol and cyanide by a microorganism S. odorifera (MTCC 5700) immobilized onto coconut shell activated carbon surface (CSAC) was studied in batch reactor from mono and binary component aqueous solution. Activated carbon was derived from coconut shell by chemical activation method. Ferric chloride (Fecl3), used as surface modification agents was applied to biomass. Optimum biosorption conditions were obtained as a function of biosorbent dosage, pH, temperature, contact time and initial phenol and cyanide concentration. To define the equilibrium isotherms, experimental data were analyzed by five mono component isotherm and six binary component isotherm models. The higher uptake capacity of phenol and cyanide onto CSAC biosorbent surface was 450.02 and 2.58 mg/g, respectively. Nonlinear regression analysis was used for determining the best fit model on the basis of error functions and also for calculating the parameters involved in kinetic and isotherm models. The kinetic study results revealed that Fractal-like mixed first second order model and Brouser-Weron-Sototlongo models for phenol and cyanide were capable to offer accurate explanation of biosorption kinetic. According to the experimental data results, CSAC with immobilization of bacterium S. odorifera (MTCC 5700) seems to be an alternative and effective biosorbent for the elimination of phenol and cyanide from binary component aqueous solution.

  12. Microstructural evolution during isothermal aging and strain-induced transformation followed by isothermal aging in Co-Cr-Mo-C alloy: A comparative study

    International Nuclear Information System (INIS)

    Lashgari, H.R.; Zangeneh, Sh.; Hasanabadi, F.; Saghafi, M.

    2010-01-01

    The present study was undertaken to investigate the effects of isothermal aging (at 850 deg. C for 4, 8, 16 and 24 h) and strain-induced transformation (engineering strains of 10% and 20%) followed by isothermal aging (at 850 deg. C for 4, 8 and 16 h) on the microstructural evolution of a Co-28Cr-5Mo-0.3C alloy. The obtained results showed that isothermal aging at 850 deg. C resulted in the formation of lamellar-type carbides at the grain boundaries. Moreover, X-ray diffraction analysis indicated that isothermal aging of solution treated specimens at 850 deg. C for 24 h did not lead to complete fcc phase transformation to hcp one. In contrast with the isothermally aged specimens, applying plastic deformation to the solutionized samples accelerated the completion and saturation of fcc(metastable) → hcp transformation after 8 h aging at 850 deg. C. In addition, the X-ray diffraction results indicated that implementing isothermal aging of the strain-induced specimens at the higher aging time (16 h) caused the formation of (1 1 1) fcc and (2 0 0) fcc diffraction peaks again. Also, the strain-induced specimens followed by isothermal aging showed higher amount of microhardness as compared with the other specimens aged solely.

  13. Path dependent models to predict property changes in graphite irradiated at changing irradiation temperatures

    CSIR Research Space (South Africa)

    Kok, S

    2010-10-01

    Full Text Available Property changes occur in materials subjected to irradiation. The bulk of experimental data and associated empirical models are for isothermal irradiation. The form that these isothermal models take is usually closed form expressions in terms...

  14. Microstructural Evolution and the Precipitation Behavior in X90 Linepipe Steel During Isothermal Processing

    Science.gov (United States)

    Tian, Y.; Wang, H. T.; Wang, Z. D.; Misra, R. D. K.; Wang, G. D.

    2018-03-01

    Thermomechanical controlled processing of 560-MPa (X90) linepipe steel was simulated in the laboratory using a thermomechanical simulator to study the microstructural evolution and precipitation behavior during isothermal holding. The results indicated that martensite was obtained when the steels were isothermally held for 5 s at 700 °C. Subsequently, granular bainite and acicular ferrite transformation occurred with increased holding time. Different amount of polygonal ferrite formed after isothermally holding for 600-3600 s. Pearlite nucleated after isothermally holding for 3600 s. Precipitation occurred after isothermal holding for 5 s and continuous precipitation occurred at grain boundaries after isothermally holding for 600 s. After isothermally holding for 3600 s, large Nb/Ti carbide precipitated. The presence of MX-type precipitates was confirmed by diffraction pattern. The interphase precipitation (IP) occurred between 5 and 30 s. Maximum hardness was obtained after isothermally holding for 600 s when IP occurred and rapidly decreased to a low value, mainly because polygonal ferrite dominated the microstructure after isothermally holding for 3600 s.

  15. A new apparatus for the determination of adsorption isotherms and adsorption enthalpies on microporous and meso-porous media

    International Nuclear Information System (INIS)

    Mouahid, A.

    2010-01-01

    A specific thermostated experimental device comprising a differential heat flow calorimeter coupled with a home built manometric system has been built for the simultaneous determination of adsorption isotherms and adsorption enthalpies. The differential heat flow calorimeter is a Tian Calvet Setaram C80 model which measures the heat flux of a gas and can be operated isothermally, the manometric system is a stainless steel homemade apparatus. This coupled apparatus allows measurements for pressure up to 2.5 MPa and temperature up to 423.15 K. On the one hand, the apparatus and the experimental procedures are described. On the second hand the reliability and reproducibility were established by measuring adsorption isotherms on a benchmark (Filtrasorb F400) at 318.15 K. The gravimetric method has been used at higher pressure at various temperatures. These devices allowed us to study the adsorption of supercritical fluid (nitrogen N 2 , methane CH 4 , carbon dioxide CO 2 ) in activated carbons and microporous or meso-porous silica. The adsorption of methane on a rock of type (TGR) was also studied. These experimental results are used for the study of the interactions fluid / solid that must be taken into account in molecular simulations or DFT theory. (author)

  16. Isothermal Kinetics of Diesel Soot Oxidation over La0.7K0.3ZnOy Catalysts

    Directory of Open Access Journals (Sweden)

    Ram Prasad

    2014-10-01

    Full Text Available This paper describes the kinetics of catalytic oxidation of diesel soot with air under isothermal conditions (320-350 oC. Isothermal kinetics data were collected in a mini-semi-batch reactor. Experiments were performed over the best selected catalyst composition La0.7K0.3ZnOy prepared by sol-gel method. Characterization of the catalyst by XRD and FTIR confirmed that La1-xKxZnOy did not exhibit perovskite phase but formed mixed metal oxides. 110 mg of the catalyst-soot mixture in tight contact (10:1 ratio was taken in order to determine the kinetic model, activation energy and Arrhenius constant of the oxidation reaction under the high air flow rate assuming pseudo first order reaction. The activation energy and Arrhenius constant were found to be 138 kJ/mol and 6.46x1010 min-1, respectively. © 2014 BCREC UNDIP. All rights reservedReceived: 26th April 2014; Revised: 27th May 2014; Accepted: 28th June 2014How to Cite: Prasad, R., Kumar, A., Mishra, A. (2014. Isothermal Kinetics of Diesel Soot Oxidation over La0.7K0.3ZnOy Catalysts. Bulletin of Chemical Reaction Engineering & Catalysis, 9(3: 192-200. (doi: 10.9767/bcrec.9.3.6773.192-200Permalink/DOI: http://dx.doi.org/10.9767/bcrec.9.3.6773.192-200

  17. Thermodynamic analysis of water vapor sorption isotherms and mechanical properties of selected paper-based food packaging materials.

    Science.gov (United States)

    Rhim, Jong-Whan; Lee, Jun Ho

    2009-01-01

    Adsorption isotherms of 3 selected paper-based packaging materials, that is, vegetable parchment (VP) paper, Kraft paper, and solid-bleached-sulfate (SBS) paperboard, were determined at 3 different temperatures (25, 40, and 50 degrees C). The GAB isotherm model was found to fit adequately for describing experimental adsorption isotherm data for the paper samples. The monolayer moisture content of the paper samples decreased with increase in temperature, which is in the range of 0.0345 to 0.0246, 0.0301 to 0.0238, and 0.0318 to 0.0243 g water/g solid for the MG paper, the Kraft paper, and the SBS paperboard, respectively. The net isosteric heats of sorption (q(st)) for the paper samples decreased exponentially with increase in moisture content after reaching the maximum values of 18.51, 27.39, and 26.80 kJ/mol for the VP paper, the Kraft paper, and the SBS paperboard, respectively, at low-moisture content. The differential enthalpy and entropy of 3 paper samples showed compensation phenomenon with the isokinetic temperature of 399.7 K indicating that water vapor had been adsorbed onto the paper samples with the same mechanism. Depending on the paper material, tensile strength of paper samples was affected by moisture content.

  18. High pressure adsorption isotherms of nitrogen onto granular activated carbon for a single bed pressure swing adsorption refrigeration system

    Science.gov (United States)

    Palodkar, Avinash V.; Anupam, Kumar; Roy, Zunipa; Saha, B. B.; Halder, G. N.

    2017-10-01

    Adsorption characteristics of nitrogen onto granular activated carbon for the wide range of temperature (303-323 K) and pressure (0.2027-2.0265 MPa) have been reported for a single bed pressure swing adsorption refrigeration system. The experimental data were fitted to Langmuir, Dubinin-Astakhov and Dubinin-Radushkevich (D-R) isotherms. The Langmuir and D-R isotherm models were found appropriate in correlating experimental adsorption data with an average relative error of ±2.0541% and ±0.6659% respectively. The isosteric heat of adsorption data were estimated as a function of surface coverage of nitrogen and temperature using D-R isotherm. The heat of adsorption was observed to decrease from 12.65 to 6.98 kJ.mol-1 with an increase in surface concentration at 303 K and it followed the same pattern for other temperatures. It was found that an increase in temperature enhances the magnitude of the heat of adsorption.

  19. Removal of metal ions from water using nanohydrogel tragacanth gum-g-polyamidoxime: isotherm and kinetic study.

    Science.gov (United States)

    Masoumi, Arameh; Ghaemy, Mousa

    2014-08-08

    A new biosorbent was prepared by grafting polyacrylonitrile onto iranian tragacanth gum (ITG), a naturally and abundantly available polysaccharide, and subsequent amidoximation in the presence of hydroxylamine hydrochloride. This nanohydrogel with amidoxime functional groups [C(NH2)NOH], named polyamidoxime-g-tragacanth (ITG-g-PAO), was characterized and used for the removal of metal ions from aqueous solution. The effect of pH, agitation time, concentration of adsorbate and amount of adsorbent on the extent of adsorption was investigated. The experimental data were analyzed by four isotherms and kinetics equations, and the results were fitted well with the Temkin isotherm and pseudo-second-order model. The maximum adsorption capacities (Qm) of ITG-g-PAO as obtained from Langmuir adsorption isotherm were found to be 100.0, 76.92, 71.42 and 66.67 (mgg(-1)) for the adsorption of metal ions in order of Co(II)>Zn(II)>Cr(III)>Cd(II). The experimental results demonstrate that the above selective order of adsorption capacity is due to formation of stable chelating ring between the bidentate amidoxime ligand and metal ion. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Kink Waves in Non-isothermal Stratified Solar Waveguides: Effect of the External Magnetic Field

    Energy Technology Data Exchange (ETDEWEB)

    Lopin, I. [Ussuriisk Astrophysical Observatory, Russian Academy of Sciences (Russian Federation); Nagorny, I., E-mail: lopin78@mail.ru [Institute of Automation and Control Processes FEB RAS, Vladivostok (Russian Federation)

    2017-10-01

    We study the effect of an external magnetic field on the properties of kink waves, propagating along a thin non-isothermal stratified and diverging magnetic flux tube. A wave equation, governing the propagation of kink waves under the adopted model is derived. It is shown that the vertical gradient of temperature introduces a spatially local cut-off frequency ω {sub c}. The vertical distribution of the cut-off frequency is calculated for the reference VAL-C model of the solar atmosphere and for different values of a ratio of external to internal magnetic fields. The results show that the cut-off frequency is negative below the temperature minimum due to the negative temperature gradient. In the chromosphere the cut-off frequency at a given height is smaller for a stronger external magnetic field. For the appropriate range of a ratio B{sub e} / B{sub i}  ≈ 0–0.8, the cutoff lies in the range ω{sub c}  ≈ 0.003–0.010 s{sup −1} (periods 600 < P{sub c} < 2000 s). The estimate of the cut-off frequency in the transition region is provided as well. In the propagating wave regime, the effective wave energy flux in the non-isothermal diverging flux tubes is the same as in the straight and homogeneous cylindrical waveguides. The obtained wave equation in the limit β  = 0 is used to study the kink oscillations of non-isothermal coronal loops. It is found that the gradient of temperature along the coronal loops reduces the frequency ratio of the first overtone to the fundamental mode, i.e., ω{sub 2}/ ω{sub 1} < 2. This reduction grows for a larger ratio of temperature at the loop top to the temperature at the footpoints. Moreover, the effect of reduction is most pronounced for the steeper temperature profiles.

  1. Temperature stability limits for an isothermal demagnetization refrigerator

    Science.gov (United States)

    Kittel, P.

    1984-01-01

    It is pointed out that magnetic refrigeration can provide additional cooling for infrared detectors on space missions, taking into account the Shuttle Infrared Telescope Facility (SIRTF) and the Large Deployable Reflector (LDR). From a temperature of 2 K provided by the primary cryogens, magnetic refrigerators could cool bolometers or pumped photoconductors to 0.1 K or below. Such a reduction in operating temperature would increase the sensitivity for bolometers, while the response at longer wavelengths for pumped photoconductors would be improved. Two types of magnetic refrigeration cycles have been proposed. One type uses a complete demagnetization. The present investigation is concerned with the second type, which uses a feedback-controlled isothermal demagnetization, taking into account the temperature stability limits. Attention is given to control system resolution, thermometer noise, reaction time, and thermal time constants.

  2. Novel investigation of enzymatic biodiesel reaction by isothermal calorimetry

    DEFF Research Database (Denmark)

    Søtoft, Lene Fjerbaek; Westh, Peter; Christensen, Knud V.

    2010-01-01

    Isothermal calorimetry (ITC) was used to investigate solvent-free enzymatic biodiesel production. The transesterification of rapeseed oil with methanol and ethanol was catalyzed by immobilized lipase Novozym 435 at 40 °C. The aim of the study was to determine reaction enthalpy for the enzymatic...... transesterification and to elucidate the mass transfer and energetic processes taking place. Based on the measured enthalpy and composition change in the system, the heat of reaction at 40 °C for the two systems was determined as −9.8 ± 0.9 kJ/mole biodiesel formed from rapeseed oil and methanol, and −9.3 ± 0.7 k...

  3. Relativistic sonic geometry for isothermal accretion in the Kerr metric

    Science.gov (United States)

    Arif Shaikh, Md

    2018-03-01

    We linearly perturb advective isothermal transonic accretion onto rotating astrophysical black holes to study the emergence of the relativistic acoustic spacetime and to investigate how the salient features of this spacetime is influenced by the spin angular momentum of the black hole. We have perturbed three different quantities—the velocity potential, the mass accretion rate and the relativistic Bernoulli’s constant to show that the acoustic metric obtained for these three cases are the same up to a conformal factor. By constructing the required causal structures, it has been demonstrated that the acoustic black holes are formed at the transonic points of the flow and the acoustic white holes are formed at the shock location. The corresponding acoustic surface gravity has been computed in terms of the relevant accretion variables and the background metric elements. We have performed a linear stability analysis of the background stationary flow.

  4. Liouvillian integrability of gravitating static isothermal fluid spheres

    International Nuclear Information System (INIS)

    Iacono, Roberto; Llibre, Jaume

    2014-01-01

    We examine the integrability properties of the Einstein field equations for static, spherically symmetric fluid spheres, complemented with an isothermal equation of state, ρ = np. In this case, Einstein's equations can be reduced to a nonlinear, autonomous second order ordinary differential equation (ODE) for m/R (m is the mass inside the radius R) that has been solved analytically only for n = −1 and n = −3, yielding the cosmological solutions by De Sitter and Einstein, respectively, and for n = −5, case for which the solution can be derived from the De Sitter's one using a symmetry of Einstein's equations. The solutions for these three cases are of Liouvillian type, since they can be expressed in terms of elementary functions. Here, we address the question of whether Liouvillian solutions can be obtained for other values of n. To do so, we transform the second order equation into an equivalent autonomous Lotka–Volterra quadratic polynomial differential system in R 2 , and characterize the Liouvillian integrability of this system using Darboux theory. We find that the Lotka–Volterra system possesses Liouvillian first integrals for n = −1, −3, −5, which descend from the existence of invariant algebraic curves of degree one, and for n = −6, a new solvable case, associated to an invariant algebraic curve of higher degree (second). For any other value of n, eventual first integrals of the Lotka–Volterra system, and consequently of the second order ODE for the mass function must be non-Liouvillian. This makes the existence of other solutions of the isothermal fluid sphere problem with a Liouvillian metric quite unlikely

  5. Liouvillian integrability of gravitating static isothermal fluid spheres

    Energy Technology Data Exchange (ETDEWEB)

    Iacono, Roberto, E-mail: roberto.iacono@enea.it [ENEA-C. R. Casaccia, Via Anguillarese 301, 00123 Roma (Italy); Llibre, Jaume, E-mail: jllibre@mat.uab.cat [Departament de Matemàtiques, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona, Catalonia (Spain)

    2014-10-01

    We examine the integrability properties of the Einstein field equations for static, spherically symmetric fluid spheres, complemented with an isothermal equation of state, ρ = np. In this case, Einstein's equations can be reduced to a nonlinear, autonomous second order ordinary differential equation (ODE) for m/R (m is the mass inside the radius R) that has been solved analytically only for n = -1 and n = -3, yielding the cosmological solutions by De Sitter and Einstein, respectively, and for n = -5, case for which the solution can be derived from the De Sitter's one using a symmetry of Einstein's equations. The solutions for these three cases are of Liouvillian type, since they can be expressed in terms of elementary functions. Here, we address the question of whether Liouvillian solutions can be obtained for other values of n. To do so, we transform the second order equation into an equivalent autonomous Lotka–Volterra quadratic polynomial differential system in R² and characterize the Liouvillian integrability of this system using Darboux theory. We find that the Lotka–Volterra system possesses Liouvillian first integrals for n = -1, -3, -5, which descend from the existence of invariant algebraic curves of degree one, and for n = -6, a new solvable case, associated to an invariant algebraic curve of higher degree (second). For any other value of n, eventual first integrals of the Lotka–Volterra system, and consequently of the second order ODE for the mass function must be non-Liouvillian. This makes the existence of other solutions of the isothermal fluid sphere problem with a Liouvillian metric quite unlikely.

  6. Investigation of isothermal water infiltration into fired clay brick by scattered neutrons

    International Nuclear Information System (INIS)

    El Abd, A.; Abdel-Monem, A.M.; Kansouh, W.A.

    2012-01-01

    A method based on neutron scattering was proposed to investigate isothermal water infiltration in porous media. Two different kinds of fired clay bricks were investigated. While the sample absorb water, scattered neutrons from the different wetted regions, along the flow direction were continuously recorded. The results were discussed in terms of the theory of water infiltration in unsaturated porous media as well as by an anomalous diffusion approach. It was shown that the infiltration process in the Canadian clay brick (CCB) is Fickian and the water diffusivity was analytically determined, while it is non-Fickian in the Egyptian clay brick (ECB). The infiltration process in ECB can be modeled as a two stage Fickian process, at the low and high absorption times. The anomalous diffusion approach failed to describe the diffusion process in the ECB at all water contents. (author)

  7. Role of Austenitization and Pre-Deformation on the Kinetics of the Isothermal Bainitic Transformation

    Science.gov (United States)

    Lambers, H.-G.; Tschumak, S.; Maier, H. J.; Canadinc, D.

    2009-06-01

    The role of time-temperature path on the isothermal austenite-to-bainite phase transformation of low alloy 51 CrV 4 steel was investigated and the corresponding microstructures were analyzed. The important finding is that an incomplete initial austenitization treatment leaves undissolved carbides in the matrix, such that lower carbon and chromium content in the matrix result, eventually accelerating the phase transformation. Furthermore, the residual carbides constitute additional nucleation sites for the bainite plates, speeding up the process even further. Also, both plastic pre-deformation of the supercooled austenite and application of external elastic stresses during the phase transformation lead to transformation plasticity by enhancing the stress fields, providing a driving force for the growth of bainite plates along a preferred orientation. Overall, the current results constitute the first step toward establishing a database for constructing a realistic microstructure-based model for simulating metal forming operations involving austenite-to-bainite phase transformation.

  8. Simulation of competitive Cu precipitation in steel during non-isothermal aging

    International Nuclear Information System (INIS)

    Yang, J.B.; Yamashita, T.; Sano, N.; Enomoto, M.

    2008-01-01

    A numerical model has been developed to simulate Cu precipitation in dilute bcc Fe-Cu alloys during non-isothermal aging taking into account competitive nucleation at grain boundaries, dislocations and in the matrix, and structural transformation of Cu particles that occurs during growth. The temporal evolution of number density, mean particle size and size distribution during continuous cooling is simulated and is compared with experimental observations under transmission electron microscope and three-dimensional atom probe field ion microscope. With decreasing temperature the growth and coarsening rates diminishes rapidly whereas nucleation continues to occur down to lower temperatures due to the decrease in the activation energy of nucleation and thus, distributions of fine particles can be obtained relatively easily after cooling. Precipitation and dissolution during continuous heating are simulated and are compared with experimental observations in the literature

  9. Effects of parabolic motion on an isothermal vertical plate with constant mass flux

    Directory of Open Access Journals (Sweden)

    R. Muthucumaraswamy

    2014-12-01

    Full Text Available An analytical study of free convection flow near a parabolic started infinite vertical plate with isothermal in the presence of uniform mass flux was considered. The mathematical model is reduced to a system of linear partial differential equations for the velocity, the concentration and the temperature; the closed form exact solutions were obtained by the Laplace transform technique. The velocity, temperature and concentration profiles for the different parameters as thermal Grashof number Gr, mass Grashof number Gc, Prandtl number Pr, Schmidt number Sc and time t were graphed and the numerical values for the skin friction were as tabulated. It is observed that the velocity is enhanced as the time increased and the velocity is decreased as the Prandtl number increased.

  10. 450 {sup o}C isothermal section of the Fe-Zn-Si ternary phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Su, Xuping [Inst. of Materials Research, School of Mechanical Engineering, Xiangtan Univ., Xiangtan, Hunan (China); Univ. of Toronto, Dept. of Materials Science and Engineering, Toronto, Ontario (Canada); Tang, Nai-Yong [Cominco Ltd., Product Technology Centre, Mississauga, Ontario (Canada); Toguri, J.M. [Univ. of Toronto, Dept. of Materials Science and Engineering, Toronto, Ontario (Canada)

    2001-07-01

    The 450 {sup o}C isothermal section of the Fe-Zn-Si ternary phase diagram has been determined experimentally using optical microscopy, scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectroscopy (EDS) and X-ray diffractometry. The focus of the work has been concentrated on the Zn-rich corner which is relevant to general galvanizing. The present study has confirmed the existence of the equilibrium state between the liquid, the {zeta} phase and the FeSi phase. This three phase equilibrium state prevents the equilibrium between the liquid and the {delta} phase suggested by some researchers. Experimental results indicate that Si solubility in all four binary Zn-Fe compounds is limited. The Fe solubility in molten Zn was found to decrease with increasing Si content in the melt. The liquid phase boundary was determined using a model based phenomenological approach. (author)

  11. Decreasing Ni, Cu, Cd, and Zn heavy metal magnetite-bentonite nanocomposites and adsorption isotherm study

    Science.gov (United States)

    Eskandari, M.; Zakeri Khatir, M.; Khodadadi Darban, A.; Meshkini, M.

    2018-04-01

    This present study was conducted to investigate the effect of magnetite-bentonite nanocomposite on heavy metal removal from an effluent. For this purpose, magnetite-bentonite nanocomposite was prepared through the chemical method and characterized using x-ray diffraction (XRD) and scanning electron microscopy (SEM) techniques, followed by studying the effect of produced nanocomposite on the removal of Ni2+, Cu2+, Cd2+, and Zn2+ heavy metal ions. The results showed that adsorption capacity of magnetite-bentonite nanocomposites for the studied ions is in the order of Zn2+ > Cd2+ > Cu2+ > Ni2+. Adsorption isotherms were drawn for Ni2+, Cu2+, Cd2+, and Zn2+ cations and found that cations adsorption on nanocomposite fit into Langmuir model.

  12. Quasi-equilibria and plasma chemical similarity in non-isothermal reactive plasmas

    International Nuclear Information System (INIS)

    Miethke, F.; Rutscher, A.; Wagner, H.E.

    2000-01-01

    With regard to the output of stable products the mode of operation of non-isothermal plasma chemical reactors shows physical and chemical well defined states, which represent limiting cases and may be interpreted as quasi-equilibrium states. The occurrence and the characteristics of these states, meanwhile more than once observed and described, are demonstrated by an instructive model reaction. Within the frame of the so-called Macroscopic Kinetics a central parameter is dominating the reactor operation. This result may be generalized and is linked up to the application of similarity principles for the reactor operation. After the general formulation of such principles, starting from the balance equations of particles and energy, a dimensionless similarity parameter is formulated, characterizing the composition of the effluent gas of the reactor. The applicability of this parameter is demonstrated by experimental examples. (Authors)

  13. Fuel concentration in isothermal Diesel sprays through structured planar laser imaging measurements

    Energy Technology Data Exchange (ETDEWEB)

    Payri, R.; Gimeno, J.; Marti, P. [CMT Motores Termicos, Universidad Politecnica de Valencia, Camino de Vera s/n, 46022 Valencia (Spain); Manin, J., E-mail: jmanin@sandia.gov [Sandia National Laboratories, 7011 East Ave., 94551 Livermore, CA (United States)

    2012-04-15

    Highlights: Black-Right-Pointing-Pointer Structured illumination has been implemented to quantify mixing in isothermal sprays. Black-Right-Pointing-Pointer Comparison to a gas-jet model conducted to Schmidt number below the unity (Sc = 0.8). Black-Right-Pointing-Pointer Results showed incomplete momentum transfer due to velocity slip between droplets and ambient. Black-Right-Pointing-Pointer Higher injection pressures enhance momentum transfer and lead to better global mixing. - Abstract: The mixing of isothermal liquid sprays in engine-like conditions has been investigated by applying the structured planar laser imaging technique to remove multiple light scattering. The intensity of the illumination plane has been recovered by removing multiply scattered light and mapping the spray three-dimensionally via discrete tomography. Based on the extinction of light within the illumination plane, the number density has been extracted. Coupled with 2-D maps of droplet diameters obtained through LIF/Mie ratio, the number density allowed to calculate the fuel concentration in the sprays. The mixture fraction of DI Diesel sprays injected into an inert environment held at room temperature has been evaluated and compared to a 2-D model based on gas-jet theory. The experimental results showed good agreement with the predictions when a Gaussian radial distribution is assumed and the Schmidt number is correctly tuned. Differences in the radial distribution has been observed and related to incomplete momentum transfer between the liquid spray and the surrounding gases. For different testing conditions, while the influence of ambient density on mixing was expected, the effect of injection pressure has been found to provide additional information concerning the global mixing of liquid sprays.

  14. Non-isothermal curing kinetics and physical properties of MMT-reinforced unsaturated polyester (UP) resins

    Energy Technology Data Exchange (ETDEWEB)

    Vargas, María A., E-mail: angelesvh@yahoo.com [Tecnológico de Estudios Superiores de Ecatepec, Av. Tecnológico S/N, Valle de Anáhuac, 55210 Ecatepec de Morelos (Mexico); Vázquez, H. [Universidad Autónoma Metropolitana-Iztapalapa, Departamento de Física, Av. San Rafael Atlixco 186, col. Vicentina, Mexico, D.F. 09340 (Mexico); Guthausen, G. [KIT, Pro2NMR at MVM and IBG, Karlsruhe (Germany)

    2015-07-10

    Highlights: • Non-isothermal DSC analysis results have shown that the addition of MMT to a UP resin produces a delay in the cure reaction. • The shape of experimental heat-flow DSC curves showed two exothermic peaks for all the samples at different heating rates. • The overall kinetic analysis was performed by isoconversional methods. • It was found that the dependence of the activation energy (E{sub a}) on degree of reaction (α) is complex. - Abstract: Cure behavior of unsaturated polyester (UP)/montmorillonite (MMT)/methyl ethyl ketone peroxide (MEKP)/cobalt octoate intercalated nanocomposites with various MMT loadings was investigated by dynamic differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and transmission electron microscopy (TEM). UP/MMT nanocomposites were prepared by sequential mixing. Non-isothermal DSC curves were obtained by applying heating rates ranging from 5 to 20 °C/min. They presented two exothermic peaks, which should correspond to two independent cure reactions. The effective activation energy E{sub a}, was determined by applying both the Kissinger’s and Starink’s methods. The results showed slightly higher activation energy for nanocomposites, except for UP/10-MMT. It was found that the dependence of E{sub a} on α is complex. All the systems in this study fitted Sesták–Berggren (SB) model in overall reaction controlled kinetics and the corresponding model parameters, n, m, A were obtained, but it was insufficient in depicting the complex reaction kinetics. Transmission electron microscopy data support the formation of a partially delaminated nanocomposite material. UP and nanocomposites showed similar behavior on thermal stability.

  15. Resorcinol adsorption from aqueous solution on activated carbon: Relation adsorption isotherm and immersion enthalpy

    International Nuclear Information System (INIS)

    Blanco, Diago A; Giraldo, Liliana; Moreno, Juan C.

    2008-01-01

    The resorcinol adsorption on a modified activated carbon, obtained from an activated commercial carbon Carbochem T M - PS30, CAG, modified by means of chemical treatment with HNO 3 7M oxidized activated carbon (CAO) and heat treatment under H 2 flow, reduced activated carbon (CAR) are studied. The influence of solution pH, the reduction and oxidation of the activated surface carbons in resorcinol aqueous solutions is determined. The interaction solid solution is characterized by adsorption isotherms analysis at 298 K and at pHs of 7.9 and 11 in order to evaluate the system on and below the value of resorcinol pKa. The adsorption capacity of carbons increases with diminishing solution pH. The amount retained increases in the reduced carbon at maximum adsorption pH and diminishes in the oxidized carbon. the experimental results of the adsorption isotherms are adjusted to the Freundlich and Langmuir models, obtaining values for the Q m ax parameter Langmuir model in the CAG of 179, 156 and 44 mgg - 1 For pH values of 7,9 and 11 respectively. In this case of modified carbons values of 233, 179 and 164 mgg - 1 Are obtained for CAR, CAG and CAO to pH 7 respectively, as general tendency the resorcinol adsorption increases in the following order CAR > CAG > CAO. Similar conclusions from immersion enthalpies are obtained, their values increase with the amount of solute retained. In the case of the CAG, immersion enthalpies between 25.8 to 40.9 Jg - 1, are obtained for resorcinol aqueous solutions in a range from 20 to 1500 mgL - 1

  16. Adsorption of surfactants on sand surface in enhanced oil recovery: Isotherms, kinetics and thermodynamic studies

    Energy Technology Data Exchange (ETDEWEB)

    Bera, Achinta; Kumar, T.; Ojha, Keka; Mandal, Ajay, E-mail: mandal_ajay@hotmail.com

    2013-11-01

    Adsorption of surfactants onto reservoir rock surface may result in the loss and reduction of their concentrations in surfactant flooding, which may render them less efficient or ineffective in practical applications of enhanced oil recovery (EOR) techniques. Surfactant flooding for EOR received attraction due to its ability to increase the displacement efficiency by lowering the interfacial tension between oil and water and mobilizing the residual oil. This article highlights the adsorption of surfactants onto sand surface with variation of different influencing factors. It has been experimentally found that adsorption of cationic surfactant on sand surface is more and less for anionic surfactant, while non-ionic surfactant shows intermediate behaviour. X-ray diffraction (XRD) study of clean sand particles has been made to determine the main component present in the sand particles. The interaction between sand particles and surfactant has been studied by Fourier Transform Infrared (FTIR) Spectroscopy of the sand particles before and after aging with surfactant. Salinity plays an important role in adsorption of anionic surfactant. Batch experiments were also performed to understand the effects of pH and adsorbent dose on the sorption efficiency. The sand particles exhibited high adsorption efficiency at low pH for anionic and nonionic surfactants. But opposite trend was found for cationic surfactant. Adsorption data were analyzed by fitting with Langmuir, Freundlich, Redlich-Peterson, and Sips isotherm models. Results show that the Langmuir isotherm and pseudo-second order kinetics models suit the equilibrium and kinetics of adsorption on sand surface. Thermodynamics feasibility of the adsorption process was also studied to verify the spontaneity of the process.

  17. Thermodynamic analysis of Bacillus subtilis endospore protonation using isothermal titration calorimetry

    Science.gov (United States)

    Harrold, Zoë R.; Gorman-Lewis, Drew

    2013-05-01

    Bacterial proton and metal adsorption reactions have the capacity to affect metal speciation and transport in aqueous environments. We coupled potentiometric titration and isothermal titration calorimetry (ITC) analyses to study Bacillus subtilis spore-proton adsorption. We modeled the potentiometric data using a four and five-site non-electrostatic surface complexation model (NE-SCM). Heats of spore surface protonation from coupled ITC analyses were used to determine site specific enthalpies of protonation based on NE-SCMs. The five-site model resulted in a substantially better model fit for the heats of protonation but did not significantly improve the potentiometric titration model fit. The improvement observed in the five-site protonation heat model suggests the presence of a highly exothermic protonation reaction circa pH 7 that cannot be resolved in the less sensitive potentiometric data. From the log Ks and enthalpies we calculated corresponding site specific entropies. Log Ks and site concentrations describing spore surface protonation are statistically equivalent to B. subtilis cell surface protonation constants. Spore surface protonation enthalpies, however, are more exothermic relative to cell based adsorption suggesting a different bonding environment. The thermodynamic parameters defined in this study provide insight on molecular scale spore-surface protonation reactions. Coupled ITC and potentiometric titrations can reveal highly exothermic, and possibly endothermic, adsorption reactions that are overshadowed in potentiometric models alone. Spore-proton adsorption NE-SCMs derived in this study provide a framework for future metal adsorption studies.

  18. A hygroscopic method to measure the adsorption isotherm of porous construction materials

    NARCIS (Netherlands)

    Taher, A.; Zanden, van der A.J.J.; Brouwers, H.J.H.; Stephan, D.; Daake, von H.; Markl, V.; Land, G.

    2013-01-01

    A sorption isotherm is the relationship between the moisture content in a material and the relative humidity of the surrounding atmosphere in an equilibrium situation. Most often, the sorption isotherm is measured with a gravitational method. This work presents a method to measure the adsorption

  19. Characterization of bainitic/martensitic structures formed in isothermal treatments below the M

    NARCIS (Netherlands)

    Navarro Lopez, A.; Hidalgo Garcia, J.; Sietsma, J.; Santofimia Navarro, M.J.

    2017-01-01

    Advanced Multiphase High Strength Steels are generally obtained by applying isothermal treatments around the martensite start temperature (Ms). Previous investigations have shown that bainitic ferrite can form from austenite in isothermal treatments below Ms, where its

  20. (AJST) ADSORPTION ISOTHERME DE L'ACIDE ACÉTIQUE PAR ...

    African Journals Online (AJOL)

    opiyo

    ont été étudiées à partir des isothermes d'adsorption de l'acide acétique à 30° et ... has resulted in the determination of the two types of adsorption isotherms : the Freundlich and .... zinc 60 % pendant 6 heures n'améliore pas suffisamment le.

  1. Determination of adsorption isotherms of chlorinated hydrocarbons on halloysite adsorbent by inverse gas chromatography.

    Science.gov (United States)

    Czech, K; Słomkiewicz, P M

    2013-05-03

    Inverse gas chromatographic methods of isotherm determination peak maximum (PM) and peak division (PD) were compared. These methods were applied to determine adsorption isotherms of dichloroethylene, trichloroethylene and tetrachloroethylene on acid-activated halloysite and adsorption enthalpy. Copyright © 2013 Elsevier B.V. All rights reserved.

  2. Negative Saturation Approach for Non-Isothermal Compositional Two-Phase Flow Simulations

    NARCIS (Netherlands)

    Salimi, H.; Wolf, K.H.; Bruining, J.

    2011-01-01

    This article deals with developing a solution approach, called the non-isothermal negative saturation (NegSat) solution approach. The NegSat solution approach solves efficiently any non-isothermal compositional flow problem that involves phase disappearance, phase appearance, and phase transition.

  3. Prediction of Pure Component Adsorption Equilibria Using an Adsorption Isotherm Equation Based on Vacancy Solution Theory

    DEFF Research Database (Denmark)

    Marcussen, Lis; Aasberg-Petersen, K.; Krøll, Annette Elisabeth

    2000-01-01

    An adsorption isotherm equation for nonideal pure component adsorption based on vacancy solution theory and the Non-Random-Two-Liquid (NRTL) equation is found to be useful for predicting pure component adsorption equilibria at a variety of conditions. The isotherm equation is evaluated successfully...... adsorption systems, spreading pressure and isosteric heat of adsorption are also calculated....

  4. Isothermal approach to predict the removal efficiency of β-carotene adsorption from CPO using activated carbon produced from tea waste

    Science.gov (United States)

    Harahap, S. A. A.; Nazar, A.; Yunita, M.; Pasaribu, RA; Panjaitan, F.; Yanuar, F.; Misran, E.

    2018-02-01

    Adsorption of β-carotene in crude palm oil (CPO) was studied using activated carbon produced from tea waste (ACTW) an adsorbent. Isothermal studies were carried out at 60 °C with the ratio of activated carbon to CPO were 1:3, 1:4, 1:5, and 1:6, respectively. The ACTW showed excellent performance as the percentage of adsorption of β-carotene from CPO was > 99%. The best percentage removal (R) was achieved at ACTW to CPO ratio equal to 1:3, which was 99.61%. The appropriate isotherm model for this study was Freundlich isotherm model. The combination of Freundlich isotherm equation and mass balance equation showed a good agreement when validated to the experimental data. The equation subsequently executed to predict the removal efficiency under given sets of operating conditions. At a targetted R, CPO volume can be estimated for a certain initial concentration β-carotene in CPO C0 and mass of ACTW adsorbent M used.

  5. Liquid infiltration through the boiling-point isotherm in a desiccating fractured rock matrix

    International Nuclear Information System (INIS)

    Phillips, O.M.

    1994-01-01

    Over a long time interval, the integrity of the radioactive waste repository proposed at Yucca Mountain may be compromised by corrosion accelerated by intermittent wetting which could occur by episodic infiltration of meteoric water from above through the fracture network. A simple two-dimensional model is constructed for the infiltration of liquid water down a fracture in a permeable rock matrix, beyond the boiling-point isotherm. The water may derive from episodic infiltration or from the condensation of steam above a desiccating region. Boiling of the water in the fracture is maintained by heat transfer from a surrounding superheated matrix blocks. There are two intrinsic length scales in this situation, (1): l s = ρ l q o L/(k m β) which is such that the total heat flow over this lateral distance balances that needed for evaporation of the liquid water infiltration, and (2): The thermal diffusion distance l θ = (k m t) 1/2 which increases with time after the onset of infiltration. The primary results are: (a) for two-dimensional infiltration down an isolated fracture or fault, the depth of penetration below the (undisturbed) boiling point isotherm is given by 1/2 π 1/2 (l s l θ ) 1/2 , and so increases as t 1/4 . Immediately following the onset of infiltration, penetration is rapid, but quickly slows. This behavior continues until l θ (and D) become comparable with l s . (b) With continuing infiltration down an isolated fracture or cluster of fractures, when l θ >> l s the temperature distribution becomes steady and the penetration distance stabilizes at a value proportional to l s . (c) Effects such as three-dimensionality of the liquid flow paths and flow rates, matrix infiltration, etc., appear to reduce the penetration distance

  6. Multiple stable isotope fronts during non-isothermal fluid flow

    Science.gov (United States)

    Fekete, Szandra; Weis, Philipp; Scott, Samuel; Driesner, Thomas

    2018-02-01

    Stable isotope signatures of oxygen, hydrogen and other elements in minerals from hydrothermal veins and metasomatized host rocks are widely used to investigate fluid sources and paths. Previous theoretical studies mostly focused on analyzing stable isotope fronts developing during single-phase, isothermal fluid flow. In this study, numerical simulations were performed to assess how temperature changes, transport phenomena, kinetic vs. equilibrium isotope exchange, and isotopic source signals determine mineral oxygen isotopic compositions during fluid-rock interaction. The simulations focus on one-dimensional scenarios, with non-isothermal single- and two-phase fluid flow, and include the effects of quartz precipitation and dissolution. If isotope exchange between fluid and mineral is fast, a previously unrecognized, significant enrichment in heavy oxygen isotopes of fluids and minerals occurs at the thermal front. The maximum enrichment depends on the initial isotopic composition of fluid and mineral, the fluid-rock ratio and the maximum change in temperature, but is independent of the isotopic composition of the incoming fluid. This thermally induced isotope front propagates faster than the signal related to the initial isotopic composition of the incoming fluid, which forms a trailing front behind the zone of transient heavy oxygen isotope enrichment. Temperature-dependent kinetic rates of isotope exchange between fluid and rock strongly influence the degree of enrichment at the thermal front. In systems where initial isotope values of fluids and rocks are far from equilibrium and isotope fractionation is controlled by kinetics, the temperature increase accelerates the approach of the fluid to equilibrium conditions with the host rock. Consequently, the increase at the thermal front can be less dominant and can even generate fluid values below the initial isotopic composition of the input fluid. As kinetics limit the degree of isotope exchange, a third front may

  7. Pyrolysis kinetics investigation of Malaysian based biomass with non-isothermal thermogravimetric analysis (TGA)

    International Nuclear Information System (INIS)

    Seyed Shahabeddin Nehzati; Dayang Radiah Awang Biak; Wan Azlina Wan Abdul Karim Ghani; Mohd Amran Mohd Salleh

    2010-01-01

    Full text: Biomass is currently being used as a sustainable energy source. Otherwise the scarceness of fossil fuel sources and the demand for environmental responsibility force the industries to use biomass as an alternate source of energy. Pyrolysis is the first step of biomass conversion and well understanding of this process can develop the biomass conversion such as gasification, liquefaction, carbonization and combustion .TGA studies of Malaysian based biomass have been carried out. TGA studies provide important insight on the thermochemical behavior of specific solid waste. The results of non-isothermal thermogravimetric analysis of palm kernel shell, coconut shell and bagasse, carried out at heating rates of 10 degree Celsius/ min, 20 degree Celsius/ min and 50 degree Celsius/ min, to ramp the temperature from 30 to 1000 were analysed. The TGA studies were carried out in an inert atmosphere of nitrogen. Arrhenius parameters were estimated by 3 different models namely Kissinger model, three-pseudo component and DEAM model the estimated values and the models were compared. The results show that the three-pseudo component model has a good agreement with the experimental results, indicating that ligno celluloses components in the mixture behave in the same way as they do separately. Also it is seen that the decomposition process shifts to higher temperatures at higher heating rates as a result of the competing effects of heat and mass transfer to the material. (Author)

  8. Kinetic modelling and thermodynamic studies on purification of ...

    African Journals Online (AJOL)

    Adsorbent capacities have been determined by mathematical fitting of equilibrium data using the most common isotherms: Freundlich isotherm and Langmuir isotherm. Several kinetic models have been applied to the process. Thermodynamic parameters: △So, △Ho, △Go and Ea (kJ/mol) have been determined.

  9. Extended forward sensitivity analysis of one-dimensional isothermal flow

    International Nuclear Information System (INIS)

    Johnson, M.; Zhao, H.

    2013-01-01

    Sensitivity analysis and uncertainty quantification is an important part of nuclear safety analysis. In this work, forward sensitivity analysis is used to compute solution sensitivities on 1-D fluid flow equations typical of those found in system level codes. Time step sensitivity analysis is included as a method for determining the accumulated error from time discretization. The ability to quantify numerical error arising from the time discretization is a unique and important feature of this method. By knowing the relative sensitivity of time step with other physical parameters, the simulation is allowed to run at optimized time steps without affecting the confidence of the physical parameter sensitivity results. The time step forward sensitivity analysis method can also replace the traditional time step convergence studies that are a key part of code verification with much less computational cost. One well-defined benchmark problem with manufactured solutions is utilized to verify the method; another test isothermal flow problem is used to demonstrate the extended forward sensitivity analysis process. Through these sample problems, the paper shows the feasibility and potential of using the forward sensitivity analysis method to quantify uncertainty in input parameters and time step size for a 1-D system-level thermal-hydraulic safety code. (authors)

  10. The mechanical features of isothermally annealed duplex stainless steel

    International Nuclear Information System (INIS)

    Sustarsic, B.; Godec, M.; Jenko, M.; Tuma, J.V.; Marini, B.; Toffolon Masclet, C.; Forget, P.

    2011-01-01

    Cast duplex stainless steels are frequently used for structural parts of nuclear power plants and other thermo-energetic objects. The ageing behaviour of the cast 258 type stainless steel has been studied in the frame of IMT Slovenia and CEA bilateral cooperation. The results of testing of French and Sloven partners are compared and analysed. The steel samples have been isothermally annealed for 10.000 and 30.000 hours at 300 and 350 C. ICP-AES bulk chemical analysis of samples, microstructure investigations with light (LM) and scanning electron microscope (SEM), micro-chemical analysis with SEM/EDS, as well as SEM/EBSD phase analyses have been performed. Tensile test specimens have been made from the aged samples and standard tensile test at room temperature was performed. The SEM fractography of fractured surfaces was also performed. Microhardness measurements of ferrite and austenite phase were determined on polished metallographic samples. The results of mechanical testing and fractographic examinations are reported and discussed in this paper. Microhardness of ferrite is drastically increased with time and temperature of ageing due to spinodal decomposition. But, hardness of austenite remains practically unchanged. Tensile properties changed, similarly. Yield point and tensile strength increased but ductility significantly decreased. In accordance with ductility decrease the nature of fractured surface changed from typical ductile to brittle and dimpled to cleavage, respectively. (authors)

  11. Isothermal sinusoidal analysis of balanced compound Vuilleumier heat pumps

    International Nuclear Information System (INIS)

    Finkelstein, T.

    1992-01-01

    This paper reports on Vuilleumier heat pumps with balanced compounding which have been under investigation for about fifteen years but have not yet reached the stage of commercial utilization. Previously published analytical treatment based upon isothermal treatment of the variable-volume spaces resulted in closed form solution of considerable complexity of the coupled differential equations but applied only to free piston machines. In contrast, the procedure presented here is based on previously demonstrated sinusoidal excursions of the reciprocators. It is of the same order of accuracy, but much more simple and usable. It was found that there is only negligible difference between the results of the present and the previous approach. Additionally, the treatment presented here is applicable to kinematic machines, as well as to free piston machines. For the latter design, an equation for the natural frequency is also derived. Ideal proportions and practical expressions for the energy streams are derived. Gas forces are plotted versus displacement and it is shown that they are equivalent to a linear spring, which is of importance for the concept of a free-piston design

  12. Isothermal pumping analysis for high-altitude tethered balloons.

    Science.gov (United States)

    Kuo, Kirsty A; Hunt, Hugh E M

    2015-06-01

    High-altitude tethered balloons have potential applications in communications, surveillance, meteorological observations and climate engineering. To maintain balloon buoyancy, power fuel cells and perturb atmospheric conditions, fluids could be pumped from ground level to altitude using the tether as a hose. This paper examines the pumping requirements of such a delivery system. Cases considered include delivery of hydrogen, sulfur dioxide (SO2) and powders as fluid-based slurries. Isothermal analysis is used to determine the variation of pressures and velocities along the pipe length. Results show that transport of small quantities of hydrogen to power fuel cells and maintain balloon buoyancy can be achieved at pressures and temperatures that are tolerable in terms of both the pipe strength and the current state of pumping technologies. To avoid solidification, transport of SO2 would require elevated temperatures that cannot be tolerated by the strength fibres in the pipe. While the use of particle-based slurries rather than SO2 for climate engineering can reduce the pipe size significantly, the pumping pressures are close to the maximum bursting pressure of the pipe.

  13. Diagnosis of brugian filariasis by loop-mediated isothermal amplification.

    Directory of Open Access Journals (Sweden)

    Catherine B Poole

    Full Text Available In this study we developed and evaluated a Brugia Hha I repeat loop-mediated isothermal amplification (LAMP assay for the rapid detection of Brugia genomic DNA. Amplification was detected using turbidity or fluorescence as readouts. Reactions generated a turbidity threshold value or a clear visual positive within 30 minutes using purified genomic DNA equivalent to one microfilaria. Similar results were obtained using DNA isolated from blood samples containing B. malayi microfilariae. Amplification was specific to B. malayi and B. timori, as no turbidity was observed using DNA from the related filarial parasites Wuchereria bancrofti, Onchocerca volvulus or Dirofilaria immitis, or from human or mosquito. Furthermore, the assay was most robust using a new strand-displacing DNA polymerase termed Bst 2.0 compared to wild-type Bst DNA polymerase, large fragment. The results indicate that the Brugia Hha I repeat LAMP assay is rapid, sensitive and Brugia-specific with the potential to be developed further as a field tool for diagnosis and mapping of brugian filariasis.

  14. Isothermal anisotropic magnetoresistance in antiferromagnetic metallic IrMn.

    Science.gov (United States)

    Galceran, R; Fina, I; Cisneros-Fernández, J; Bozzo, B; Frontera, C; López-Mir, L; Deniz, H; Park, K-W; Park, B-G; Balcells, Ll; Martí, X; Jungwirth, T; Martínez, B

    2016-10-20

    Antiferromagnetic spintronics is an emerging field; antiferromagnets can improve the functionalities of ferromagnets with higher response times, and having the information shielded against external magnetic field. Moreover, a large list of aniferromagnetic semiconductors and metals with Néel temperatures above room temperature exists. In the present manuscript, we persevere in the quest for the limits of how large can anisotropic magnetoresistance be in antiferromagnetic materials with very large spin-orbit coupling. We selected IrMn as a prime example of first-class moment (Mn) and spin-orbit (Ir) combination. Isothermal magnetotransport measurements in an antiferromagnetic-metal(IrMn)/ferromagnetic-insulator thin film bilayer have been performed. The metal/insulator structure with magnetic coupling between both layers allows the measurement of the modulation of the transport properties exclusively in the antiferromagnetic layer. Anisotropic magnetoresistance as large as 0.15% has been found, which is much larger than that for a bare IrMn layer. Interestingly, it has been observed that anisotropic magnetoresistance is strongly influenced by the field cooling conditions, signaling the dependence of the found response on the formation of domains at the magnetic ordering temperature.

  15. Isothermal and Reactive Turbulent Jets in Cross-Flow

    Science.gov (United States)

    Gutmark, Ephraim; Bush, Scott; Ibrahim, Irene

    2004-11-01

    Jets in cross flow have numerous applications including vertical/short takeoff/landing (V/STOL) aircraft, cooling jets for gas turbine blades and combustion air supply inlets in gas turbine engine. The properties exhibited by these jets are dictated by complex three dimensional turbulence structures which form due to the interaction of the jet with the freestream. The isothermal tests are conducted in a wind tunnel measuring the characteristics of air jets injected perpendicular into an otherwise undisturbed air stream. Different nozzle exit geometries of the air jets were tested including circular, triangular and elongated configurations. Jets are injected in single and paired combinations with other jets to measure the effect of mutual interaction on the parameters mentioned. Quantitative velocity fields are obtained using PIV. The data obtained allows the extraction of flow parameters such as jet structure, penetration and mixing. The reacting tests include separate and combined jets of fuel/air mixture utilized to explore the stabilization of combustion at various operating conditions. Different geometrical configurations of transverse jets are tested to determine the shape and combination of jets that will optimize the jets ability to successfully stabilize a flame.

  16. Non-isothermal crystallization of PET/PLA blends

    International Nuclear Information System (INIS)

    Chen, Huipeng; Pyda, Marek; Cebe, Peggy

    2009-01-01

    Binary blends of poly(ethylene terephthalate) with poly(lactic acid), PET/PLA, were studied by differential scanning calorimetry and X-ray scattering. The PET/PLA blends, prepared by solution casting, were found to be miscible in the melt over the entire composition range. Both quenched amorphous and semicrystalline blends exhibit a single, composition dependent glass transition temperature. We report the non-isothermal crystallization of (a) PET, with and without the presence of PLA crystals and (b) PLA, with and without the presence of PET crystals. PET can crystallize in all blends, regardless of whether PLA is amorphous or crystalline, and degree of crystallinity of PET decreases as PLA content increases. In contrast, PLA crystallization is strongly affected by the mobility of the PET fraction. When PET is wholly amorphous, PLA can crystallize even in 70/30 blends, albeit weakly. But when PET is crystalline, PLA cannot crystallize when its own content drops below 0.90. These different behaviors may possibly be related to the tendency of each polymer to form constrained chains, i.e., to form the rigid amorphous fraction, or RAF. PET is capable of forming a large amount of RAF, whereas relatively smaller amount of RAF forms in PLA. Like the crystals, the rigid amorphous fraction of one polymer component may inhibit the growth of crystals of the other blend partner.

  17. Comparing the Caputo, Caputo-Fabrizio and Atangana-Baleanu derivative with fractional order: Fractional cubic isothermal auto-catalytic chemical system

    Science.gov (United States)

    Saad, K. M.

    2018-03-01

    In this work we extend the standard model for a cubic isothermal auto-catalytic chemical system (CIACS) to a new model of a fractional cubic isothermal auto-catalytic chemical system (FCIACS) based on Caputo (C), Caputo-Fabrizio (CF) and Atangana-Baleanu in the Liouville-Caputo sense (ABC) fractional time derivatives, respectively. We present approximate solutions for these extended models using the q -homotopy analysis transform method ( q -HATM). We solve the FCIACS with the C derivative and compare our results with those obtained using the CF and ABC derivatives. The ranges of convergence of the solutions are found and the optimal values of h , the auxiliary parameter, are derived. Finally, these solutions are compared with numerical solutions of the various models obtained using finite differences and excellent agreement is found.

  18. Prediction of as-cast grain size of inoculated aluminum alloys melt solidified under non-isothermal conditions

    International Nuclear Information System (INIS)

    Du, Qiang; Li, Yanjun

    2015-01-01

    In this paper, a multi-scale as-cast grain size prediction model is proposed to predict as-cast grain size of inoculated aluminum alloys melt solidified under non-isothermal condition, i.e., the existence of temperature gradient. Given melt composition, inoculation and heat extraction boundary conditions, the model is able to predict maximum nucleation undercooling, cooling curve, primary phase solidification path and final as-cast grain size of binary alloys. The proposed model has been applied to two Al-Mg alloys, and comparison with laboratory and industrial solidification experimental results have been carried out. The preliminary conclusion is that the proposed model is a promising suitable microscopic model used within the multi-scale casting simulation modelling framework. (paper)

  19. Dynamics of gas bubble growth in oil-refrigerant mixtures under isothermal decompression

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Joao Paulo; Barbosa Junior, Jader R.; Prata, Alvaro T. [Federal University of Santa Catarina (UFSC), Florianopolis, SC (Brazil). Dept. of Mechanical Engineering], Emails: jpdias@polo.ufsc.br, jrb@polo.ufsc.br, prata@polo.ufsc.br

    2010-07-01

    This paper proposes a numerical model to predict the growth of gaseous refrigerant bubbles in oil-refrigerant mixtures with high contents of oil subjected to isothermal decompression. The model considers an Elementary Cell (EC) in which a spherical bubble is surrounded by a concentric and spherical liquid layer containing a limited amount of dissolved liquid refrigerant. The pressure reduction in the EC generates a concentration gradient at the bubble interface and the refrigerant is transported to the bubble by molecular diffusion. After a sufficiently long period of time, the concentration gradient in the liquid layer and the bubble internal pressure reach equilibrium and the bubble stops growing, having attained its stable radius. The equations of momentum and chemical species conservation for the liquid layer, and the mass balance at the bubble interface are solved via a coupled finite difference procedure to determine the bubble internal pressure, the refrigerant radial concentration distribution and the bubble growth rate. Numerical results obtained for a mixture of ISO VG10 ester oil and refrigerant HFC-134a showed that bubble growth dynamics depends on model parameters like the initial bubble radius, initial refrigerant concentration in the liquid layer, decompression rate and EC temperature. Despite its simplicity, the model showed to be a potential tool to predict bubble growth and foaming which may result from important phenomena occurring inside refrigeration compressors such as lubrication of sliding parts and refrigerant degassing from the oil stored in oil sump during compressor start-up. (author)

  20. Using Adsorption Isotherm Studies to Determine Crosslinked Polymeric Adsorbent Performance in Heavy Metals Removal from Water

    Directory of Open Access Journals (Sweden)

    Nasrin Sheikh

    2015-01-01

    Full Text Available Polymeric adsorbents are useful tools for removing heavy metals from aqueous solutions. Adsorption models are efficient tools for accurate prediction and evaluation of the practical adsorption process in real situation. In this study, the two isotherms of Langmuir and Dubinin-Radushkevich models were employed to investigate the absorption performance of chitosan, PVA, and chitosan/PVA blend (with a weight ratio of 1:1 in the removal of Mn (II and Ni (II from aqueous solutions. The PVA adsorbent was crosslinked by both chemical and radiation methods while the others were crosslinked only chemically due to Chitosan’s lack of resistance to radiation. The results showed that the Langmuir model fitted the experimental data better than the Dubinin-Radushkevich one for both metals. The maximum adsorption capacity (qmax of the Langmuir model showed that the PVA/Chitosan adsorbent had the best adsorption compared to other adsorbents, with 52.63 mg/g for Ni and 30.30 mg/g for Mn (evidently more Ni was absorbed than Mn. Also, maximum adsorption by the chemically crosslinked PVA was 38.46 mg/g for Ni and 19.23 mg/g for Mn, which exhibits a higher level than adsorption by the radiation crosslinked PVA The results indicate that absorption capacity depends on the type of adsorbed metal, absorbent structure, and the crosslinking method employed.

  1. Mise au point d'un nouvel appareil de "distillation isotherme" Disterm Development of Distherm, a New Isothermal Distillation Apparatus

    Directory of Open Access Journals (Sweden)

    Mouton M.

    2006-11-01

    Full Text Available Les études analytiques de distillats pétroliers d'intervalles d'ébullition élevés doivent être réalisées sur des produits préparés dans des conditions de distillation extrêmement douces, de manière à conserver intactes toutes les espèces chimiques initialement contenues dans le pétrole brut en l'état. Pour répondre à cet objectif, le Comité de Distillation du GEC (Groupe d'Études Concertées sur l'analyse des fractions lourdes du pétrole, réunissant Compagnie Francaise de Raffinage (CFR, Société Nationale Elf Aquitaine (SNEA et Institut Français du Pétrole (IFP a mis au point un schéma de préparation spécial de ces distillats, faisant appel à des techniques de distillation continue, de type « isotherme» et « moléculaire ». Dans ce cadre, le Comité de Distillation du GEC a été amené à développer un nouvel appareillage de distillation x isotherme », permettant de réduire, sans craquage, tout pétrole brut jusqu'à une température maximale comprise entre 350 et 380 °C. On décrit dans cet article ce nouvel ensemble de distillation, ainsi que ses conditions opératoires de fonctionnement. On y donne aussi un aperçu de la précision de la méthode de distillation réalisable avec cet appareil, ainsi que de la qualité de fractionnement obtenu.Enfin, à l'aide de quelques exemples particuliers, on montre que le domaine d'application de l'appareil peut être étendu à des produits autres que des pétroles bruts. Analytical examinations of high-boiling-range petroleum distillates must be made with products prepared under extremely mild distillation conditions so as ta maintain intact all the chemical species initially present in the original crude oil.

  2. Kinetics, isothermal and thermodynamics studies of electrocoagulation removal of basic dye rhodamine B from aqueous solution using steel electrodes

    Science.gov (United States)

    Adeogun, Abideen Idowu; Balakrishnan, Ramesh Babu

    2017-07-01

    Electrocoagulation was used for the removal of basic dye rhodamine B from aqueous solution, and the process was carried out in a batch electrochemical cell with steel electrodes in monopolar connection. The effects of some important parameters such as current density, pH, temperature and initial dye concentration, on the process, were investigated. Equilibrium was attained after 10 min at 30 °C. Pseudo-first-order, pseudo-second-order, Elovich and Avrami kinetic models were used to test the experimental data in order to elucidate the kinetic adsorption process; pseudo-first-order and Avrami models best fitted the data. Experimental data were analysed using six model equations: Langmuir, Freudlinch, Redlich-Peterson, Temkin, Dubinin-Radushkevich and Sips isotherms and it was found that the data fitted well with Sips isotherm model. The study showed that the process depends on current density, temperature, pH and initial dye concentration. The calculated thermodynamics parameters (Δ G°, Δ H° and Δ S°) indicated that the process is spontaneous and endothermic in nature.

  3. A general approach for defining the macroscopic free energy density of saturated porous media at finite strains under non-isothermal conditions

    International Nuclear Information System (INIS)

    Gajo, A.

    2011-01-01

    A general approach is proposed for defining the macroscopic free energy density function (and its complement, the free enthalpy) of a saturated porous medium submitted to finite deformations under non-isothermal conditions, in the case of compressible fluid and solid constituents. Reference is made to an elementary volume treated as an 'open system', moving with the solid skeleton. The proposed free energy depends on the generalised strains (namely an appropriate measure of the strain of the solid skeleton and the variation in fluid mass content) and the absolute temperatures of the solid and fluid phases (which are assumed to differ from each other for the sake of generality). This macroscopic energy proves to be a potential for the generalised stresses (namely the associated measure of the total stress and the free enthalpy of the pore fluid per unit mass) and the entropies of the solid and fluid phases. In contrast with mixture theories, the resulting free energy is not the simple sum of the free energies of the single constituents. Two simplified cases are examined in detail, i.e. the semi-linear theory (originally proposed for isothermal conditions and extended here to non-isothermal problems) and the linear theory. The proposed approach paves the way to the consistent non-isothermal-hyper-elastic-plastic modelling of saturated porous media with a compressible fluid and solid constituents. (authors)

  4. Evidence for a pore-filling mechanism in the adsorption of aromatic hydrocarbons to a natural wood char.

    Science.gov (United States)

    Nguyen, Thanh H; Cho, Hyun-Hee; Poster, Dianne L; Ball, William P

    2007-02-15

    Sorption isotherms for five aromatic hydrocarbons were obtained with a natural wood char (NC1) and its residue after solvent extraction (ENC1). Substantial isotherm nonlinearity was observed in all cases. ENC1 showed higher BET surface area, higher nitrogen-accessible micropore volume, and lower mass of extractable organic chemicals, including quantifiable polycyclic aromatic hydrocarbons (PAHs),while the two chars showed identical surface oxygen/ carbon (O/C) ratio. For two chlorinated benzenes that normally condense as liquids at the temperatures used, sorption isotherms with NC1 and ENC1 were found to be statistically identical. For the solid-phase compounds (1,4-dichlorobenzene (1,4-DCB) and two PAHs), sorption was statistically higher with ENC1, thus demonstrating sorption effects due to both (1) authigenic organic content in the sorbentand (2)the sorbate's condensed state. Polanyi-based isotherm modeling, pore size measurements, and comparisons with activated carbon showthe relative importance of adsorptive pore filling and help explain results. With both chars, maximum sorption increased in the order of decreasing molecular diameter: phenanthrene < naphthalene < 1,2-dichlorobenzene/1,2,4-trichlorobenzene < 1,4-DCB. Comparison of 1,4- and 1,2-DCB shows that the critical molecular diameter was apparently more important than the condensed state, suggesting that 1,4-DCB sorbed in the liquid state for ENC1.

  5. Adsorption of a cationic dye (Yellow Basic 28 ontothe calcined mussel shells: Kinetics, Isotherm and Thermodynamic Parameters

    Directory of Open Access Journals (Sweden)

    Imane EL Ouahabi

    2015-11-01

    Full Text Available The aim of this study is to valorise the mussel shells and evaluate the adsorption capacity of calcined mussel shells for the cationic dyes.  The adsorbent was characterized by DRX, FTIR, BET and SEM, respectively. The adsorption of Yellow Basic28 on calcined mussel shells was investigated using the parameters such as concentrations (10-50mg/L, pH (3-10, ionic strength (0-2 mol / L and temperature (288 - 318 °C.  The adsorption rate data were analysed according to the first and second-order kinetic models.  The adsorption kinetics was found to be best represented by the pseudo-second-order kinetic model.  The experimental isotherm data were analyzed using Langmuir, Freundlich, Temkin, Elovich and Dubinin–Radushkevich isotherm equations on the dye-adsorbent system. The experimental data yielded excellent fits with Freundlich isotherm equation (R² = 0.966. It was indicative of the heterogeneity of the adsorption sites on the CMS particles.  Various thermodynamic parameters such as enthalpy of adsorption ΔH°, free energy change ΔG°and entropy ΔS° were estimated.  The positive value of ΔH°(30.321 kJ/mol and negative values of ΔG° (from -5.392 to -2.873 kJ/mol show the process is endothermic and spontaneous.  The negative value of entropy ΔS° (-87.172 J/mol K suggest the decreased randomness at the solid-liquid interface during the adsorption of dyes onto calcined mussel shells.

  6. Adsorption of ammonium ion by coconut shell-activated carbon from aqueous solution: kinetic, isotherm, and thermodynamic studies.

    Science.gov (United States)

    Boopathy, Ramasamy; Karthikeyan, Sekar; Mandal, Asit Baran; Sekaran, Ganesan

    2013-01-01

    Ammonium ions are one of the most encountered nitrogen species in polluted water bodies. High level of ammonium ion in aqueous solution imparts unpleasant taste and odor problems, which can interfere with the life of aquatics and human population when discharged. Many chemical methods are developed and being used for removal of ammonium ion from aqueous solution. Among various techniques, adsorption was found to be the most feasible and environmentally friendly with the use of natural-activated adsorbents. Hence, in this study, coconut shell-activated carbon (CSAC) was prepared and used for the removal of ammonium ion by adsorption techniques. Ammonium chloride (analytical grade) was purchased from Merck Chemicals for adsorption studies. The CSAC was used to adsorb ammonium ions under stirring at 100 rpm, using orbital shaker in batch experiments. The concentration of ammonium ion was estimated by ammonia distillate, using a Buchi distillation unit. The influence of process parameters such as pH, temperature, and contact time was studied for adsorption of ammonium ion, and kinetic, isotherm models were validated to understand the mechanism of adsorption of ammonium ion by CSAC. Thermodynamic properties such as ∆G, ∆H, and ∆S were determined for the ammonium adsorption, using van't Hoff equation. Further, the adsorption of ammonium ion was confirmed through instrumental analyses such as SEM, XRD, and FTIR. The optimum conditions for the effective adsorption of ammonium ion onto CSAC were found to be pH 9.0, temperature 283 K, and contact time 120 min. The experimental data was best followed by pseudosecond order equation, and the adsorption isotherm model obeyed the Freundlich isotherm. This explains the ammonium ion adsorption onto CSAC which was a multilayer adsorption with intraparticle diffusion. Negative enthalpy confirmed that this adsorption process was exothermic. The instrumental analyses confirmed the adsorption of ammonium ion onto CSAC.

  7. Isotherm, kinetic and thermodynamics study of humic acid removal process from aquatic environment by chitosan nano particle

    Directory of Open Access Journals (Sweden)

    Maryam Ghafoori

    2016-09-01

    Full Text Available Background and Aim: Humic substances include natural organic polyelectrolyte materials that formed most of the dissolved organic carbon in aquatic environments. Reaction between humic substances and chlorine leading to formation of disinfection byproducts (DBPs those are toxic, carcinogenic and mutagenic. The aim of this study was investigation of isotherms, kinetics and thermodynamics of humic acid removal process by nano chitosan from aquatic environment. Materials and Methods: This practical research was an experimental study that performed in a batch system. The effect of various parameters such as pH, humic acid concentration, contact time, adsorbent dosage, isotherms, thermodynamics and Kinetics of humic acid adsorption process were investigated. Humic acid concentration measured using spectrophotometer at wave length of 254 nm. Results: The results of this research showed that maximum adsorption capacity of nanochitosan that fall out in concentration of 50 mg/l and contact time of 90 minutes was 52.34 mg/g. Also, the maximum adsorption was observed in pH = 4 and adsorbent dosage 0.02 g. Laboratory data show that adsorption of humic acid by nanochitosan follow the Langmuir isotherm model. According to result of thermodynamic study, entropy changes (ΔS was equal to 2.24 J/mol°k, enthalpy changes (ΔH was equal to 870 kJ/mol and Gibbs free energy (ΔG was negative that represent the adsorption process is spontaneous and endothermic. The kinetics of adsorption has a good compliant with pseudo second order model. Conclusion: Regarding to results of this study, nano chitosan can be suggested as a good adsorbent for the removal of humic acids from aqueous solutions.

  8. A study of sorption mechanism onto cement hydrates by isotherm measurements

    International Nuclear Information System (INIS)

    Sugiyama, Daisuke; Fujita, Tomonari

    2003-01-01

    In the concept for TRU waste disposal in Japan, cement is a potential waste packaging and backfilling material and is expected to provide chemical containment. In particular, the sorption of radionuclides onto cement material, which controls the aqueous concentrations of elements in the porewater, is a very important parameter when considering the release of radionuclides from the near field of a repository. Many safety assessment calculations currently assume radionuclide retardation as linear sorption equilibrium and describe it with a distribution ratio (R d value). In this study, the sorption mechanism is discussed by measuring the sorption isotherm of caesium, strontium and thorium onto Ordinary Portland Cement (OPC) and Calcium Silicate Hydrate (C-S-H gel), to justify and support this assumption. In addition, the effect of competitive sorption between thorium and uranium and other groundwater ions is studied by examining sorption using a range of sodium chloride concentrations to simulate different groundwater ionic strengths. Based on the experimental results, we have showed that: Caesium and strontium sorb by substitution for Ca in C-S-H phases and the presence of some calcium sites with different ion-exchange log K values is suggested; Thorium would be fixed in a surface co-precipitation to form a solubility-limiting phase. The results of sorption experiments are reasonably well modelled by the ion-exchange model for caesium and strontium and the surface co-precipitation model for thorium, respectively. (author)

  9. Exploring the interaction of silver nanoparticles with pepsin and its adsorption isotherms and kinetics.

    Science.gov (United States)

    Li, Xiangrong; Wang, Kaiwei; Peng, Yanru

    2018-04-25

    The interaction of nanoparticles (NPs) with proteins is a topic of high relevance for the medical application of nanomaterials. In the study, a comprehensive investigation was performed for the binding properties of silver nanoparticles (AgNPs) to pepsin. The results indicate that the binding of AgNPs to pepsin may be a static quenching mechanism. Thermodynamic analysis reveals that AgNPs binds to pepsin is synergistically driven by enthalpy and entropy, and the major driving forces are hydrophobic and electrostatic interactions. Synchronous fluorescence spectroscopy shows that AgNPs may induce microenvironmental changes of pepsin. The hydrophobicity of Trp is increased while the hydrophility of Tyr is increased. The adsorption of pepsin on AgNPs was analyzed by Langmuir and Freundlich models, suggesting that the equilibrium adsorption data fit well with Freundlich model. The equilibrium adsorption data were modeled using the pseudo-first-order and pseudo-second-order kinetic equations. The results indicate that pseudo-second-order kinetic equation better describes the adsorption kinetics. The study provides an accurate and full basic data for clarifying the binding mechanism, adsorption isotherms and kinetic behaviors of AgNPs with pepsin. These fundamental works will provide some new insights into the safe and effective application of AgNPs in biological and medical areas. Copyright © 2018 Elsevier B.V. All rights reserved.

  10. Effect of alloying elements on the isothermal solidification during TLP bonding of SS 410 and SS 321 using a BNi-2 interlayer

    Energy Technology Data Exchange (ETDEWEB)

    Arafin, M.A. [Department of Mechanical and Industrial Engineering, Concordia University, Montreal, H3G 1M8 (Canada)], E-mail: ma_arafi@encs.concordia.ca; Medraj, M. [Department of Mechanical and Industrial Engineering, Concordia University, Montreal, H3G 1M8 (Canada)], E-mail: mmedraj@encs.concordia.ca; Turner, D.P. [Metallurgical Planning, Pratt and Whitney Canada, Longueuil, Que., J4G 1A1 (Canada)], E-mail: Daniel.P.Turner@pwc.ca; Bocher, P. [Department de Genie Mecanique, Ecole de Technologie Superieure, Montreal, H3C 1K3 (Canada)], E-mail: Philippe.Bocher@etsmtl.ca

    2007-11-15

    The random diffusion of solute atoms during transient liquid phase (TLP) bonding of SS 410 and 321 with nickel-based brazing filler alloy BNi-2 have been modeled using Random Walk Modeling technique. Cumulative probability distributions and probability density functions of isothermal solidification times have been calculated for different process conditions and verified with experimental data. The solubility limit of boron has been found to have decreased from 0.3 at.% at higher temperature bonding operations (1358-1394 K) because of substantial iron-rich base metal dissolution when SS 410 was used as base metals; whereas it remained unchanged for SS 321/BNi-2 combination because of high concentrations of nickel and chromium in the base metal. Silicon diffusion model, based on the EDS analysis, also predicted the isothermal solidification times reasonably well.

  11. Integrated Microfluidic Nucleic Acid Isolation, Isothermal Amplification, and Amplicon Quantification

    Directory of Open Access Journals (Sweden)

    Michael G. Mauk

    2015-10-01

    Full Text Available Microfluidic components and systems for rapid (<60 min, low-cost, convenient, field-deployable sequence-specific nucleic acid-based amplification tests (NAATs are described. A microfluidic point-of-care (POC diagnostics test to quantify HIV viral load from blood samples serves as a representative and instructive example to discuss the technical issues and capabilities of “lab on a chip” NAAT devices. A portable, miniaturized POC NAAT with performance comparable to conventional PCR (polymerase-chain reaction-based tests in clinical laboratories can be realized with a disposable, palm-sized, plastic microfluidic chip in which: (1 nucleic acids (NAs are extracted from relatively large (~mL volume sample lysates using an embedded porous silica glass fiber or cellulose binding phase (“membrane” to capture sample NAs in a flow-through, filtration mode; (2 NAs captured on the membrane are isothermally (~65 °C amplified; (3 amplicon production is monitored by real-time fluorescence detection, such as with a smartphone CCD camera serving as a low-cost detector; and (4 paraffin-encapsulated, lyophilized reagents for temperature-activated release are pre-stored in the chip. Limits of Detection (LOD better than 103 virons/sample can be achieved. A modified chip with conduits hosting a diffusion-mode amplification process provides a simple visual indicator to readily quantify sample NA template. In addition, a companion microfluidic device for extracting plasma from whole blood without a centrifuge, generating cell-free plasma for chip-based molecular diagnostics, is described. Extensions to a myriad of related applications including, for example, food testing, cancer screening, and insect genotyping are briefly surveyed.

  12. Adsorption of an anionic dye on a novel low-cost mesoporous adsorbent: kinetic, thermodynamic and isotherm studies

    Science.gov (United States)

    Msaad, Asmaa; Belbahloul, Mounir; Zouhri, Abdeljalil

    2018-05-01

    Our activated carbon was prepared successfully using phosphoric acid as an activated agent. The activated carbon was characterized by Scanning Electron Micrograph (SEM), Brunauer-Emmett- Teller (BET), Fourier transform infrared spectroscopy (FT-IR) and X-ray diffraction (XRD). The aim of our study is to evaluate the adsorption capacity of Methyl Orange (MO) on Ziziphus lotus activated carbon. Adsorption isotherms were studied according to Langmuir and Freundlich Model, and adsorption kinetics according to pseudo-first and second-order. Results show that the maximum adsorption was reached in the first 10min at ambient temperature with a yield of 96.31%. The Langmuir isotherm shows a correlation coefficient of 99.4 % higher than Freundlich model and the adsorption kinetic model follow a pseudo-second-order with a maximum adsorption capacity of 769.23 mg/g. FTIR and X-Ray spectroscopy indicate that our activated carbon has an amorphous structure with the presence of functional groups, where BET analysis revealed a high surface area of 553 mg/g, which facilitate the adsorption process

  13. Freundlich adsorption isotherms of agricultural by-product-based powdered activated carbons in a geosmin-water system

    Energy Technology Data Exchange (ETDEWEB)

    Ng, Chilton [Food and Drug Administration, Dept. of Health and Human Services, Lenexa, KS (United States); Losso, Jack N.; Rao, Ramu M. [Louisiana State Univ. Agricultural Center, Dept. of Food Science, Baton Rouge, LA (United States); Marshall, Wayne E. [USDA-ARS, Southern Regional Research Center, New Orleans, LA (United States)

    2002-11-01

    The present study was designed to model the adsorption of geosmin from water under laboratory conditions using the Freundlich isotherm model. This model was used to compare the efficiency of sugarcane bagasse and pecan shell-based powdered activated carbon to the efficiency of a coal-based commercial activated carbon (Calgon Filtrasorb 400). When data were generated from Freundlich isotherms, Calgon Filtrasorb 400 had greater geosmin adsorption at all geosmin concentrations studied than the laboratory produced steam-activated pecan shell carbon, steam-activated bagasse carbon, and the CO{sub 2}-activated pecan shell carbon. At geosmin concentrations <0.07 {sup {mu}}g/l for the phosphoric acid-activated pecan shell carbon and below 0.08 {sup {mu}}g/l for a commercially produced steam-activated pecan shell carbon obtained from Scientific Carbons, these two carbons had a higher calculated geosmin adsorption than Filtrasorb 400. While the commercial carbon was more efficient than some laboratory prepared carbons at most geosmin concentrations, the results indicate that when the amount of geosmin was below the threshold level of human taste (about 0.10 {sup {mu}}g/l), the phosphoric acid-activated pecan shell carbon and the Scientific Carbons sample were more efficient than Filtrasorb 400 at geosmin removal. (Author)

  14. Sorption of Lead (Pb from Aqueous Solutions by Sepiolite and Bentonite Modified with Chitosan Biopolymers: Isotherms and Kinetics

    Directory of Open Access Journals (Sweden)

    Hamid Reza Rafiei

    2016-07-01

    Full Text Available In this study, sepiolite and bentonite clay minerals were modified with a natural chitosan biopolymer and the modified-clays were characterized using XRF, XRD, FTIR, SEM, and TOC analyses. The isothermal and kinetic parameters of lead (Pb sorption by both the minerals and the modified-minerals were determined in a batch mode under various conditions such as different contact times and initial concentrations of Pb. It was found that the Freundlich model described well the isotherm experimental data of Pb sorption by the sorbents. Modification with chitosan, however, decreased the Pb adsorption capacity of sepiolite from 83 to 27 mg g-1 and that of bentonite from 56 to 29 mg g-1. Kinetic results showed that more than 24 hours was required for Pb sorption by the natural clays to reach equilibrium, while the equilibrium time reduced to 16 and 4 hours for Pb sorption on chitosan-sepiolite and chitosan–bentonite, respectively. The pseudo-second-order model well described the time-dependent Pb sorption data by sepiolite, chitosan-sepiolite, and chitosan-bentonite, suggesting that chemical sorption is the rate-limiting step of Pb adsorption mechanism. The Pb sorption data by bentonite showed the best fit with Elovich model.

  15. Equilibrium isotherms, kinetics, and thermodynamics studies for congo red adsorption using calcium alginate beads impregnated with nano-goethite.

    Science.gov (United States)

    Munagapati, Venkata Subbaiah; Kim, Dong-Su

    2017-07-01

    The present study is concerned with the batch adsorption of congo red (CR) from an aqueous solution using calcium alginate beads impregnated with nano-goethite (CABI nano-goethite) as an adsorbent. The optimum conditions for CR removal were determined by studying operational variables viz. pH, adsorbent dose, contact time, initial dye ion concentration and temperature. The CABI nano-goethite was characterized by Fourier transform infrared spectroscopy (FTIR), X- ray diffraction (XRD) and Scanning electron microscopy/energy dispersive spectroscopy (SEM/EDS) analysis. The CR sorption data onto CABI nano-goethite were described using Langmuir, Freundlich, Dubinin-Radushkevich and Temkin isotherm models. The results show that the best fit was achieved with the Langmuir isotherm model. The maximum adsorption capacity (181.1mg/g) of CR was occurred at pH 3.0. Kinetic studies showed that the adsorption followed a pseudo-second-order model. Desorption experiments were carried out to explore the feasibility of regenerating the adsorbent and the adsorbed CR from CABI nano-goethite. The best desorbing agent was 0.1M NaOH with an efficiency of 94% recovery. The thermodynamic parameters ΔG°, ΔH°, and ΔS° for the CR adsorption were determined by using adsorption capacities at five different temperatures (293, 303, 313, 323 and 303K). Results show that the adsorption process was endothermic and favoured at high temperature. Copyright © 2017 Elsevier Inc. All rights reserved.

  16. Non-isothermal kinetics of phase transformations in magnetron sputtered alumina films with metastable structure

    International Nuclear Information System (INIS)

    Zuzjaková, Š.; Zeman, P.; Kos, Š.

    2013-01-01

    Highlights: • Non-isothermal kinetics of phase transformations in alumina films was investigated. • The structure of alumina films affects kinetics of the transformation processes. • Kinetic triplets of all transformation processes were determined. • The KAS, FWO, FR and IKP methods for determination of E a and A were used. • The Málek method for determination of the kinetic model was used. - Abstract: The paper reports on non-isothermal kinetics of transformation processes in magnetron sputtered alumina thin films with an amorphous and γ-phase structure leading ultimately to the formation of the thermodynamically stable α-Al 2 O 3 phase. Phase transformation sequences in the alumina films were investigated using differential scanning calorimetry (DSC) at four different heating rates (10, 20, 30, 40 °C/min). Three isoconversional methods (Kissinger–Akahira–Sunose (KAS), Flynn–Wall–Ozawa (FWO) and Friedman (FR) method) as well as the invariant kinetic parameters (IKP) method were used to determine the activation energies for transformation processes. Moreover, the pre-exponential factors were determined using the IKP method. The kinetic models of the transformation processes were determined using the Málek method. It was found that the as-deposited structure of alumina films affects kinetics of the transformation processes. The film with the amorphous as-deposited structure heated at 40 °C/min transforms to the crystalline γ phase at a temperature of ∼930 °C (E a,IKP = 463 ± 10 kJ/mol) and subsequently to the crystalline α phase at a temperature of ∼1200 °C (E a,IKP = 589 ± 10 kJ/mol). The film with the crystalline γ-phase structure heated at 40 °C/min is thermally stable up to ∼1100 °C and transforms to the crystalline α phase (E a,IKP = 511 ± 16 kJ/mol) at a temperature of ∼1195 °C. The empirical two-parameter Šesták–Berggren kinetic model was found to be the most adequate one to describe all transformation processes

  17. Development of multilayer perceptron networks for isothermal time temperature transformation prediction of U-Mo-X alloys

    Energy Technology Data Exchange (ETDEWEB)

    Johns, Jesse M., E-mail: jesse.johns@pnnl.gov; Burkes, Douglas, E-mail: douglas.burkes@pnnl.gov

    2017-07-15

    In this work, a multilayered perceptron (MLP) network is used to develop predictive isothermal time-temperature-transformation (TTT) models covering a range of U-Mo binary and ternary alloys. The selected ternary alloys for model development are U-Mo-Ru, U-Mo-Nb, U-Mo-Zr, U-Mo-Cr, and U-Mo-Re. These model's ability to predict 'novel' U-Mo alloys is shown quite well despite the discrepancies between literature sources for similar alloys which likely arise from different thermal-mechanical processing conditions. These models are developed with the primary purpose of informing experimental decisions. Additional experimental insight is necessary in order to reduce the number of experiments required to isolate ideal alloys. These models allow test planners to evaluate areas of experimental interest; once initial tests are conducted, the model can be updated and further improve follow-on testing decisions. The model also improves analysis capabilities by reducing the number of data points necessary from any particular test. For example, if one or two isotherms are measured during a test, the model can construct the rest of the TTT curve over a wide range of temperature and time. This modeling capability reduces the cost of experiments while also improving the value of the results from the tests. The reduced costs could result in improved material characterization and therefore improved fundamental understanding of TTT dynamics. As additional understanding of phenomena driving TTTs is acquired, this type of MLP model can be used to populate unknowns (such as material impurity and other thermal mechanical properties) from past literature sources.

  18. Nonequilibrium Contribution to the Rate of Reaction. III. Isothermal Multicomponent Systems

    Science.gov (United States)

    Shizgal, B.; Karplus, M.

    1970-10-01

    The nonequilibrium contribution to the reaction rate of an isothermal multicomponent system is obtained by solution of the appropriate Chapman-Enskog equation; the system is composed of reactive species in contact with a heat bath of inert atoms M.

  19. Adsorption Isotherms of CH 4 on Activated Carbon from Indonesian Low Grade Coal

    KAUST Repository

    Martin, Awaludin; Loh, Wai Soong; Rahman, Kazi Afzalur; Thu, Kyaw; Surayawan, Bambang; Alhamid, M. Idrus; Nasruddin,; Ng, Kim Choon

    2011-01-01

    ) apparatus, and two types of activated carbon have been investigated, namely, activated carbon derived from the low rank coal of the East of Kalimantan, Indonesia, and a Carbotech activated carbon. The isotherm results which cover temperatures from (300

  20. Moisture Adsorption Isotherm and Storability of Hazelnut Inshells and Kernels Produced in Oregon, USA.

    Science.gov (United States)

    Jung, Jooyeoun; Wang, Wenjie; McGorrin, Robert J; Zhao, Yanyun

    2018-02-01

    Moisture adsorption isotherms and storability of dried hazelnut inshells and kernels produced in Oregon were evaluated and compared among cultivars, including Barcelona, Yamhill, and Jefferson. Experimental moisture adsorption data fitted to Guggenheim-Anderson-de Boer (GAB) model, showing less hygroscopic properties in Yamhill than other cultivars of inshells and kernels due to lower content of carbohydrate and protein, but higher content of fat. The safe levels of moisture content (MC, dry basis) of dried inshells and kernels for reaching kernel water activity (a w ) ≤0.65 were estimated using the GAB model as 11.3% and 5.0% for Barcelona, 9.4% and 4.2% for Yamhill, and 10.7% and 4.9% for Jefferson, respectively. Storage conditions (2 °C at 85% to 95% relative humidity [RH], 10 °C at 65% to 75% RH, and 27 °C at 35% to 45% RH), times (0, 4, 8, or 12 mo), and packaging methods (atmosphere vs. vacuum) affected MC, a w , bioactive compounds, lipid oxidation, and enzyme activity of dried hazelnut inshells or kernels. For inshells packaged at woven polypropylene bag, MC and a w of inshells and kernels (inside shells) increased at 2 and 10 °C, but decreased at 27 °C during storage. For kernels, lipid oxidation and polyphenol oxidase activity also increased with extended storage time (P adsorption and physicochemical and enzymatic stability during storage. Moisture adsorption isotherm of hazelnut inshells and kernels is useful for predicting the storability of nuts. This study found that water adsorption and storability varied among the different cultivars of nuts, in which Yamhill was less hygroscopic than Barcelona and Jefferson, thus more stable during storage. For ensuring food safety and quality of nuts during storage, each cultivar of kernels should be dried to a certain level of MC. Lipid oxidation and enzyme activity of kernel could be increased with extended storage time. Vacuum packaging was recommended to kernels for reducing moisture adsorption

  1. Review of low-temperature vapour power cycle engines with quasi-isothermal expansion

    OpenAIRE

    Igobo, Opubo N.; Davies, Philip A.

    2014-01-01

    External combustion heat cycle engines convert thermal energy into useful work. Thermal energy resources include solar, geothermal, bioenergy, and waste heat. To harness these and maximize work output, there has been a renaissance of interest in the investigation of vapour power cycles for quasi-isothermal (near constant temperature) instead of adiabatic expansion. Quasi-isothermal expansion has the advantage of bringing the cycle efficiency closer to the ideal Carnot efficiency, but it requi...

  2. Method to Predict Tempering of Steels Under Non-isothermal Conditions

    Science.gov (United States)

    Poirier, D. R.; Kohli, A.

    2017-05-01

    A common way of representing the tempering responses of steels is with a "tempering parameter" that includes the effect of temperature and time on hardness after hardening. Such functions, usually in graphical form, are available for many steels and have been applied for isothermal tempering. In this article, we demonstrate that the method can be extended to non-isothermal conditions. Controlled heating experiments were done on three grades in order to verify the method.

  3. Studies of non-isothermal flow in saturated and partially saturated porous media

    International Nuclear Information System (INIS)

    Ho, C.K.; Maki, K.S.; Glass, R.J.

    1993-01-01

    Physical and numerical experiments have been performed to investigate the behavior of nonisothermal flow in two-dimensional saturated and partially saturated porous media. The physical experiments were performed to identify non-isothermal flow fields and temperature distributions in fully saturated, half-saturated, and residually saturated two-dimensional porous media with bottom heating and top cooling. Two counter-rotating liquid-phase convective cells were observed to develop in the saturated regions of all three cases. Gas-phase convection was also evidenced in the unsaturated regions of the partially saturated experiments. TOUGH2 numerical simulations of the saturated case were found to be strongly dependent on the assumed boundary conditions of the physical system. Models including heat losses through the boundaries of the test cell produced temperature and flow fields that were in better agreement with the observed temperature and flow fields than models that assumed insulated boundary conditions. A sensitivity analysis also showed that a reduction of the bulk permeability of the porous media in the numerical simulations depressed the effects of convection, flattening the temperature profiles across the test cell

  4. Effect of Temperature and Sheet Temper on Isothermal Solidification Kinetics in Clad Aluminum Brazing Sheet

    Science.gov (United States)

    Benoit, Michael J.; Whitney, Mark A.; Wells, Mary A.; Winkler, Sooky

    2016-09-01

    Isothermal solidification (IS) is a phenomenon observed in clad aluminum brazing sheets, wherein the amount of liquid clad metal is reduced by penetration of the liquid clad into the core. The objective of the current investigation is to quantify the rate of IS through the use of a previously derived parameter, the Interface Rate Constant (IRC). The effect of peak temperature and initial sheet temper on IS kinetics were investigated. The results demonstrated that IS is due to the diffusion of silicon (Si) from the liquid clad layer into the solid core. Reduced amounts of liquid clad at long liquid duration times, a roughened sheet surface, and differences in resolidified clad layer morphology between sheet tempers were observed. Increased IS kinetics were predicted at higher temperatures by an IRC model as well as by experimentally determined IRC values; however, the magnitudes of these values are not in good agreement due to deficiencies in the model when applied to alloys. IS kinetics were found to be higher for sheets in the fully annealed condition when compared with work-hardened sheets, due to the influence of core grain boundaries providing high diffusivity pathways for Si diffusion, resulting in more rapid liquid clad penetration.

  5. Isothermal Bondi Accretion in Jaffe and Hernquist Galaxies with a Central Black Hole: Fully Analytical Solutions

    Energy Technology Data Exchange (ETDEWEB)

    Ciotti, Luca; Pellegrini, Silvia, E-mail: luca.ciotti@unibo.it [Department of Physics and Astronomy, University of Bologna, via Piero Gobetti 93/2, I-40129 Bologna (Italy)

    2017-10-10

    One of the most active fields of research of modern-day astrophysics is that of massive black hole formation and coevolution with the host galaxy. In these investigations, ranging from cosmological simulations, to semi-analytical modeling, to observational studies, the Bondi solution for accretion on a central point-mass is widely adopted. In this work we generalize the classical Bondi accretion theory to take into account the effects of the gravitational potential of the host galaxy, and of radiation pressure in the optically thin limit. Then, we present the fully analytical solution, in terms of the Lambert–Euler W -function, for isothermal accretion in Jaffe and Hernquist galaxies with a central black hole. The flow structure is found to be sensitive to the shape of the mass profile of the host galaxy. These results and the formulae that are provided, most importantly, the one for the critical accretion parameter, allow for a direct evaluation of all flow properties, and are then useful for the abovementioned studies. As an application, we examine the departure from the true mass accretion rate of estimates obtained using the gas properties at various distances from the black hole, under the hypothesis of classical Bondi accretion. An overestimate is obtained from regions close to the black hole, and an underestimate outside a few Bondi radii; the exact position of the transition between the two kinds of departure depends on the galaxy model.

  6. Adsorption isotherms and kinetics of activated carbons produced from coals of different ranks.

    Science.gov (United States)

    Purevsuren, B; Lin, Chin-Jung; Davaajav, Y; Ariunaa, A; Batbileg, S; Avid, B; Jargalmaa, S; Huang, Yu; Liou, Sofia Ya-Hsuan

    2015-01-01

    Activated carbons (ACs) from six coals, ranging from low-rank lignite brown coal to high-rank stone coal, were utilized as adsorbents to remove basic methylene blue (MB) from an aqueous solution. The surface properties of the obtained ACs were characterized via thermal analysis, N2 isothermal sorption, scanning electron microscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and Boehm titration. As coal rank decreased, an increase in the heterogeneity of the pore structures and abundance of oxygen-containing functional groups increased MB coverage on its surface. The equilibrium data fitted well with the Langmuir model, and adsorption capacity of MB ranged from 51.8 to 344.8 mg g⁻¹. Good correlation coefficients were obtained using the intra-particle diffusion model, indicating that the adsorption of MB onto ACs is diffusion controlled. The values of the effective diffusion coefficient ranged from 0.61 × 10⁻¹⁰ to 7.1 × 10⁻¹⁰ m² s⁻¹, indicating that ACs from lower-rank coals have higher effective diffusivities. Among all the ACs obtained from selected coals, the AC from low-rank lignite brown coal was the most effective in removing MB from an aqueous solution.

  7. Isotherm, Kinetic and Thermodynamic Characteristics for Adsorption of Congo Red by Activated Carbon

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jong Jib [Kongju National University, Cheonan (Korea, Republic of)

    2015-02-15

    Batch experiment studies were carried out for adsorption of congo red using granular activated carbon with various parameters such as activated carbon dose, pH, initial dye concentration, temperature and contact time. Equilibrium experimental data are fitted to the Langmuir, Freundlich, Temkin and Dubin-Radushkevich isotherm equations. From Freundlich's separation factor (1/n) estimated, adsorption could be employed as effective treatment method for adsorption of congo red from aqueous solution. Base on Temkin constant (B) and Dubinin-Radushkevich constant (E), this adsorption process is physical adsorption. Adsorption kinetics has been tested using pseudo-first order and pseudo second order models. The results followed pseudo second order model with good correlation. Adsorption process of congo red on granular activated carbon was endothermic (ΔH=42.036 kJ/mol) and was accompanied by decrease in Gibbs free energy (ΔG=-2.414 to -4.596 kJ/mol) with increasing adsorption temperature.

  8. Isotherm, Kinetic and Thermodynamic Characteristics for Adsorption of Congo Red by Activated Carbon

    International Nuclear Information System (INIS)

    Lee, Jong Jib

    2015-01-01

    Batch experiment studies were carried out for adsorption of congo red using granular activated carbon with various parameters such as activated carbon dose, pH, initial dye concentration, temperature and contact time. Equilibrium experimental data are fitted to the Langmuir, Freundlich, Temkin and Dubin-Radushkevich isotherm equations. From Freundlich's separation factor (1/n) estimated, adsorption could be employed as effective treatment method for adsorption of congo red from aqueous solution. Base on Temkin constant (B) and Dubinin-Radushkevich constant (E), this adsorption process is physical adsorption. Adsorption kinetics has been tested using pseudo-first order and pseudo second order models. The results followed pseudo second order model with good correlation. Adsorption process of congo red on granular activated carbon was endothermic (ΔH=42.036 kJ/mol) and was accompanied by decrease in Gibbs free energy (ΔG=-2.414 to -4.596 kJ/mol) with increasing adsorption temperature

  9. Adsorption Characteristics of Norfloxacin by Biochar Prepared by Cassava Dreg: Kinetics, Isotherms, and Thermodynamic Analysis

    Directory of Open Access Journals (Sweden)

    Dan Feng

    2015-08-01

    Full Text Available Biochars (BC generated from biomass residues have been recognized as effective sorbents for organic compounds. In this study, biochars as adsorbents for the removal of norfloxacin (NOR from aqueous solutions were evaluated. Biochars were prepared from cassava dregs at 350 °C, 450 °C, 550 °C, 650 °C, and 750 °C, respectively (labeled as BC350, BC450, BC550, BC650, and BC750. The results showed that the kinetic data were best fitted to the pseudo second-order model, indicating that the sorption was governed by the availability of sorption sites on the biochar surfaces rather than the NOR concentration in the solution. Sorption isotherms of NOR were well described by the Freundlich model, and the Freundlich coefficients (lgkF increased with the pyrolysis temperature of biochars. Thermodynamic analysis indicated the feasibility and spontaneity of the NOR adsorption process. The NOR adsorption on BC450, BC550, BC650, and BC750 was an endothermic process, while an exothermic process occurred for BC350. FTIR studies further suggested that the adsorption mechanism was possibly attributable to H-bond and π-π interactions between NOR and biochars. Overall, this work constitutes a basis for further research considering the bioavailability and toxicity of antibiotics in the presence of biochar.

  10. Micellization of bovine beta-casein studied by isothermal titration microcalorimetry and cryogenic transmission electron microscopy.

    Science.gov (United States)

    Portnaya, Irina; Cogan, Uri; Livney, Yoav D; Ramon, Ory; Shimoni, Karin; Rosenberg, Moshe; Danino, Dganit

    2006-07-26

    The association behavior, critical micellization concentration (CMC), and enthalpy of demicellization (DeltaHdemic) of bovine beta-casein were studied, for the first time by isothermal titration calorimetry, in a pH 7.0 phosphate buffer with 0.1 ionic strength and in pure water. In the buffer solutions, the CMC decreased asymptotically from 0.15 to 0.006 mM as the temperature was raised from 16 to 45 degrees C. DeltaHdemic decreased with increasing temperature between 16 and 28 degrees C but increased from 28 to 45 degrees C. Thermodynamic analysis below 30 degrees C is consistent with the Kegeles shell model, which suggests a stepwise association process. At higher temperatures, this model exhibits limitations, and the micellization becomes much more cooperative. The CMC values in water, measured between 17 and 28 degrees C, decreased with increasing temperature and, expectedly, were higher than those found in the buffer solutions. beta-Casein micelles were visualized and characterized, for the first time in their hydrated state, using advanced digital-imaging cryogenic transmission electron microscopy. The images revealed small, oblate micelles, about approximately 13 nm in diameter. The micelles shape and dimensions remained nearly constant in the temperature range of 24-35 degrees C.

  11. Replicative manufacturing of complex lighting optics by non-isothermal glass molding

    Science.gov (United States)

    Kreilkamp, Holger; Vu, Anh Tuan; Dambon, Olaf; Klocke, Fritz

    2016-09-01

    The advantages of LED lighting, especially its energy efficiency and the long service life have led to a wide distribution of LED technology in the world. However, in order to make fully use of the great potential that LED lighting offers, complex optics are required to distribute the emitted light from the LED efficiently. Nowadays, many applications use polymer optics which can be manufactured at low costs. However, due to ever increasing luminous power, polymer optics reach their technological limits. Due to its outstanding properties, especially its temperature resistance, resistance against UV radiation and its long term stability, glass is the alternative material of choice for the use in LED optics. This research is introducing a new replicative glass manufacturing approach, namely non-isothermal glass molding (NGM) which is able to manufacture complex lighting optics in high volumes at competitive prices. The integration of FEM simulation at the early stage of the process development is presented and helps to guarantee a fast development cycle. A coupled thermo-mechanical model is used to define the geometry of the glass preform as well as to define the mold surface geometry. Furthermore, simulation is used to predict main process outcomes, especially in terms of resulting form accuracy of the molded optics. Experiments conducted on a commercially available molding machine are presented to validate the developed simulation model. Finally, the influence of distinct parameters on important process outcomes like form accuracy, surface roughness, birefringence, etc. is discussed.

  12. Numerical simulation of a plane turbulent mixing layer, with applications to isothermal, rapid reactions

    Science.gov (United States)

    Lin, P.; Pratt, D. T.

    1987-01-01

    A hybrid method has been developed for the numerical prediction of turbulent mixing in a spatially-developing, free shear layer. Most significantly, the computation incorporates the effects of large-scale structures, Schmidt number and Reynolds number on mixing, which have been overlooked in the past. In flow field prediction, large-eddy simulation was conducted by a modified 2-D vortex method with subgrid-scale modeling. The predicted mean velocities, shear layer growth rates, Reynolds stresses, and the RMS of longitudinal velocity fluctuations were found to be in good agreement with experiments, although the lateral velocity fluctuations were overpredicted. In scalar transport, the Monte Carlo method was extended to the simulation of the time-dependent pdf transport equation. For the first time, the mixing frequency in Curl's coalescence/dispersion model was estimated by using Broadwell and Breidenthal's theory of micromixing, which involves Schmidt number, Reynolds number and the local vorticity. Numerical tests were performed for a gaseous case and an aqueous case. Evidence that pure freestream fluids are entrained into the layer by large-scale motions was found in the predicted pdf. Mean concentration profiles were found to be insensitive to Schmidt number, while the unmixedness was higher for higher Schmidt number. Applications were made to mixing layers with isothermal, fast reactions. The predicted difference in product thickness of the two cases was in reasonable quantitative agreement with experimental measurements.

  13. A hybrid gyrokinetic ion and isothermal electron fluid code for astrophysical plasma

    Science.gov (United States)

    Kawazura, Y.; Barnes, M.

    2018-05-01

    This paper describes a new code for simulating astrophysical plasmas that solves a hybrid model composed of gyrokinetic ions (GKI) and an isothermal electron fluid (ITEF) Schekochihin et al. (2009) [9]. This model captures ion kinetic effects that are important near the ion gyro-radius scale while electron kinetic effects are ordered out by an electron-ion mass ratio expansion. The code is developed by incorporating the ITEF approximation into AstroGK, an Eulerian δf gyrokinetics code specialized to a slab geometry Numata et al. (2010) [41]. The new code treats the linear terms in the ITEF equations implicitly while the nonlinear terms are treated explicitly. We show linear and nonlinear benchmark tests to prove the validity and applicability of the simulation code. Since the fast electron timescale is eliminated by the mass ratio expansion, the Courant-Friedrichs-Lewy condition is much less restrictive than in full gyrokinetic codes; the present hybrid code runs ∼ 2√{mi /me } ∼ 100 times faster than AstroGK with a single ion species and kinetic electrons where mi /me is the ion-electron mass ratio. The improvement of the computational time makes it feasible to execute ion scale gyrokinetic simulations with a high velocity space resolution and to run multiple simulations to determine the dependence of turbulent dynamics on parameters such as electron-ion temperature ratio and plasma beta.

  14. Adsorption of selected emerging contaminants onto PAC and GAC: Equilibrium isotherms, kinetics, and effect of the water matrix.

    Science.gov (United States)

    Real, Francisco J; Benitez, F Javier; Acero, Juan L; Casas, Francisco

    2017-07-03

    The removal of three emerging contaminants (ECs) (amitriptyline hydrochloride (AH), methyl salicylate (MS) and 2-phenoxyethanol (PE)) dissolved in several water matrices by means of their adsorption onto powdered activated carbon (PAC) and granular activated carbon (GAC) has been investigated. When dissolved in ultrapure water, adsorption of the ECs followed the trend of AH > MS > PE, with a positive effect of the adsorbent dose. According to the analysis of the adsorption isotherms and adsorption kinetics, PAC showed strongly higher adsorption efficiency in both capacity and velocity of the adsorption, in agreement with its higher mesoporosity. Equilibrium isotherm data were fitted by Langmuir and Freundlich models. Pseudo-second order kinetics modeled very successfully the adsorption process. Finally, the effect of the presence of dissolved organic matter (DOM) in the water matrices (ultrapure water, surface water and two effluents from wastewater treatment plants) on the adsorption of the selected ECs onto PAC was established, as well as its performance on the removal of water quality parameters. Results show a negative effect of the DOM content on the adsorption efficiency. Over 50% of organic matter was removed with high PAC doses, revealing that adsorption onto PAC is an effective technology to remove both micro-pollutants and DOM from water matrices.

  15. Removal of methylene blue from aqueous solution with magnetite loaded multi-wall carbon nanotube: Kinetic, isotherm and mechanism analysis

    International Nuclear Information System (INIS)

    Ai, Lunhong; Zhang, Chunying; Liao, Fang; Wang, Yao; Li, Ming; Meng, Lanying; Jiang, Jing

    2011-01-01

    Highlights: ► M-MWCNTs were synthesized by a facile one-pot solvothermal method and used as an efficient adsorbent for removing toxic dye from aqueous solution. ► The adsorption process was characterized by kinetics and isotherm analysis. ► FTIR analysis was employed to investigate the interactions between M-MWCNTs and dye. - Abstract: In this study, we have demonstrated the efficient removal of cationic dye, methylene blue (MB), from aqueous solution with the one-pot solvothermal synthesized magnetite-loaded multi-walled carbon nanotubes (M-MWCNTs). The as-prepared M-MWCNTs were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and Fourier transform infrared (FTIR) spectroscopy. The effects of contact time, initial dye concentration, and solution pH on the adsorption of MB onto M-MWCNTs were systematically studied. It was shown that the MB adsorption was pH-dependent. Adsorption kinetics was best described by the pseudo-second-order model. Equilibrium data were well fitted to the Langmuir isotherm model, yielding maximum monolayer adsorption capacity of 48.06 mg g −1 . FTIR analysis suggested that the adsorption mechanism was possibly attributed to the electrostatic attraction and π–π stacking interactions between MWCNTs and MB.

  16. Evaluating the potential of a Nigerian soil as an adsorbent for tartrazine dye: Isotherm, kinetic and thermodynamic studies

    Directory of Open Access Journals (Sweden)

    M.O. Dawodu

    2016-12-01

    Full Text Available The release of toxic tartrazine dye from industrial effluent into the environment is of public health concern. This study therefore aimed at the removal of tartrazine from solution using Nigerian soil as a low cost potential sorbent. The sorbent was characterized by the Fourier transform infrared spectrophotometer and Scanning electron microscope. Batch sorption methodology was used to investigate the effect of pH, adsorbent dose, dye concentration, contact time and temperature. The sorbent recorded a Brunauer, Emmett and Teller surface area of 9.8 m2/g and pH point of zero charge of 5.8. Optimum sorption was achieved at pH 2.0, contact time of 120 min, adsorbent dose of 0.05 g and tartrazine concentration of 50 mg/L. Equilibrium isotherms were analyzed by the Langmuir, Freundlich, Scatchard and Flory-Huggins isotherm models. The pseudo-first-order, pseudo-second-order, Elovich and Bangham models were used for kinetic analysis. Thermodynamics revealed a spontaneous, feasible and endothermic sorption process. The soil was found to be suitable as a low cost sorbent for tartrazine from contaminated solution.

  17. Non-isothermal crystallization kinetics of As{sub 30}Te{sub 60}Ga{sub 10} glass

    Energy Technology Data Exchange (ETDEWEB)

    Mohamed, Mansour; Abd-Elnaiem, Alaa M.; Abdel-Rahim, M.A.; Hafiz, M.M. [Assiut University, Physics Department, Faculty of Science, Assiut (Egypt); Hassan, R.M. [Assiut University, Physics Department, Faculty of Science, Assiut (Egypt); Aden University, Physics Department, Faculty of Education-Zingiber, Aden (Yemen)

    2017-08-15

    The crystallization study under non-isothermal conditions of As{sub 30}Te{sub 60}Ga{sub 10} glass was investigated. The studied composition was synthesized by melt-quenching technique and characterized by different techniques such as X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and differential scanning calorimetry (DSC). The XRD analysis revealed that the as-prepared and annealed bulk glass of As{sub 30}Te{sub 60}Ga{sub 10} exhibit the amorphous, and polycrystalline nature, respectively. The DSC results showed that the heating rate affects the characteristic temperatures, for instance, the glass transition, onset, and peak crystallization temperatures. Furthermore, some thermal analysis methods such as the Kissinger and Matusita et al., approximations were employed to determine the crystallization parameters: for example Avrami exponent and the activation energies for glass transition and crystallization process. In addition, we have compared the experimental DSC data with the calculated ones based on the Johnson-Mehl-Avrami (JMA) and Sestak-Berggren SB(M,N) models. The results indicated that the SB(M,N) model is more suitable for describing the non-isothermal crystallization kinetics of the investigated composition. (orig.)

  18. Real-time electrochemical monitoring of isothermal helicase-dependent amplification of nucleic acids.

    Science.gov (United States)

    Kivlehan, Francine; Mavré, François; Talini, Luc; Limoges, Benoît; Marchal, Damien

    2011-09-21

    We described an electrochemical method to monitor in real-time the isothermal helicase-dependent amplification of nucleic acids. The principle of detection is simple and well-adapted to the development of portable, easy-to-use and inexpensive nucleic acids detection technologies. It consists of monitoring a decrease in the electrochemical current response of a reporter DNA intercalating redox probe during the isothermal DNA amplification. The method offers the possibility to quantitatively analyze target nucleic acids in less than one hour at a single constant temperature, and to perform at the end of the isothermal amplification a DNA melt curve analysis for differentiating between specific and non-specific amplifications. To illustrate the potentialities of this approach for the development of a simple, robust and low-cost instrument with high throughput capability, the method was validated with an electrochemical system capable of monitoring up to 48 real-time isothermal HDA reactions simultaneously in a disposable microplate consisting of 48-electrochemical microwells. Results obtained with this approach are comparable to that obtained with a well-established but more sophisticated and expensive fluorescence-based method. This makes for a promising alternative detection method not only for real-time isothermal helicase-dependent amplification of nucleic acid, but also for other isothermal DNA amplification strategies.

  19. Rarefied gas flow in a rectangular enclosure induced by non-isothermal walls

    Energy Technology Data Exchange (ETDEWEB)

    Vargas, Manuel; Tatsios, Giorgos; Valougeorgis, Dimitris, E-mail: diva@mie.uth.gr [Department of Mechanical Engineering, University of Thessaly, 38334 Volos (Greece); Stefanov, Stefan [Institute of Mechanics, Bulgarian Academy of Sciences, Sofia (Bulgaria)

    2014-05-15

    The flow of a rarefied gas in a rectangular enclosure due to the non-isothermal walls with no synergetic contributions from external force fields is investigated. The top and bottom walls are maintained at constant but different temperatures and along the lateral walls a linear temperature profile is assumed. Modeling is based on the direct numerical solution of the Shakhov kinetic equation and the Direct Simulation Monte Carlo (DSMC) method. Solving the problem both deterministically and stochastically allows a systematic comparison and verification of the results as well as the exploitation of the numerical advantages of each approach in the investigation of the involved flow and heat transfer phenomena. The thermally induced flow is simulated in terms of three dimensionless parameters characterizing the problem, namely, the reference Knudsen number, the temperature ratio of the bottom over the top plates, and the enclosure aspect ratio. Their effect on the flow configuration and bulk quantities is thoroughly examined. Along the side walls, the gas flows at small Knudsen numbers from cold-to-hot, while as the Knudsen number is increased the gas flows from hot-to-cold and the thermally induced flow configuration becomes more complex. These flow patterns with the hot-to-cold flow to be extended to the whole length of the non-isothermal side walls may exist even at small temperature differences and then, they are enhanced as the temperature difference between the top and bottom plates is increased. The cavity aspect ratio also influences this flow configuration and the hot-to-cold flow is becoming more dominant as the depth compared to the width of the cavity is increased. To further analyze the flow patterns a novel solution decomposition into ballistic and collision parts is introduced. This is achieved by accordingly modifying the indexing process of the typical DSMC algorithm. The contribution of each part of the solution is separately examined and a physical

  20. Adsorption of phosphate from municipal effluents using cryptocrystalline magnesite: complementing laboratory results with geochemical modelling

    CSIR Research Space (South Africa)

    Masindi, Vhahangwele

    2015-11-01

    Full Text Available chemisorption. Adsorption isotherms fitted well to Langmuir adsorption isotherm than Freundlich adsorption isotherms, demonstrating monolayer adsorption. PHREEQC geochemical model showed Mg(sub3)(PO(sub4))(sub2) and MgHPO(sub4):3H(sub2)O as the phosphatebearing...

  1. Isothermal vapour–liquid equilibrium of binary systems containing polyoxyethylene dodecanoate and alcohols

    International Nuclear Information System (INIS)

    Khoiroh, Ianatul; Lee, Ming-Jer

    2013-01-01

    Highlights: ► An autoclave apparatus was used to measure binary vapor-liquid equilibrium data. ► The studied systems are polyoxyethylene dodecanoate with 2-butanol, tert-butanol, and 1-pentanol. ► The saturated pressure data were fitted accurately to the Antoine equation. ► The UNIQUAC, the NRTL, and the Flory–Huggins models correlated well the phase equilibrium data. ► The solvent activities have been calculated. - Abstract: Isothermal vapour–liquid equilibrium (VLE) data have been measured with a static method for three binary systems of polyoxyethylene dodecanoate {(POEDDA) + butan-2-ol} at T = (333.4 to 424.5) K, (POEDDA + tert-butanol) at (321.1 to 401.5) K, and (POEDDA + pentan-1-ol) at (340.2 to 419.4) K. Four feed compositions were studied over the concentration range of 0.099 to 0.432 of POEDDA mole fractions. The experimental results were fitted to the Antoine equation to regress the Antoine constants. These VLE data were further treated by using the Barker method to obtain the best fit of binary interaction parameters from the UNIQUAC, the NRTL, and the Flory–Huggins models. The results showed good agreement between the experimental and calculated values. The Flory–Huggins model yielded the best result with an overall average absolute relative deviation (AARD) of 2.1%. The solvent activities were also calculated and showed agree well with the calculated values from those three activity coefficient models.

  2. Isothermal Crystallization Kinetics of HDPE/HA Compounds Irradiated with Sterilization Doses of Gamma Rays

    International Nuclear Information System (INIS)

    Albano, C.

    2006-01-01

    The objective of this work was to study the isothermal crystallization of High Density Polyethylene/Hydroxyapatite nanocomposites, with 2 and 5 ppc of HA, irradiated with 25 kGy (sterilization dose) of γ-Ray from a 60 C o source, at a rate of 4.8 kGy/h in air and at room temperature. The selected crystallization temperatures were 118, 117, 116 and 115 degree. The crystallization kinetics was analyzed using the Avrami's model whose parameters were optimized using a non-linear regression technique. Regression results show that the Avrami exponent varies between 1.8 and 1.5, meaning that the spherulitic growth is mainly two dimensional. Values for specific crystallization constant 'k' were found to be higher for HDPE/HA compounds than for pure HDPE, clearly indicating the presence of an HA nucleation effect. It was also observed that values for the specific crystallization constant 'k' decreases with increasing temperatures, being this effect more noticeable for HDPE/HA compounds than for pure HDPE. Regarding to irradiated samples, their 'k' values were found to be lower than those for non irradiated samples, the difference getting more significant with decreasing crystallization temperature. Simulation of experimental data with the Avrami's model show a clear influence of the crystallization temperature, the HA content in the sample and the amount of applied radiation. It was also observed that the Avrami model correlates satisfactorily experimental data for not irradiated samples of pure HDPE and HDPE/HA compounds at the highest crystallization (T c ). However, as the crystallization temperature decreases, the values simulated with the Avrami model increasingly deviate from experimental data, specifically at the highest values of the relative crystallinity. This effect is even stronger on irradiated samples of HDPE and HDPE/HA compounds

  3. Monte Carlo Molecular Simulation with Isobaric-Isothermal and Gibbs-NPT Ensembles

    KAUST Repository

    Du, Shouhong

    2012-01-01

    This thesis presents Monte Carlo methods for simulations of phase behaviors of Lennard-Jones fluids. The isobaric-isothermal (NPT) ensemble and Gibbs-NPT ensemble are introduced in detail. NPT ensemble is employed to determine the phase diagram of pure component. The reduced simulation results are verified by comparison with the equation of state by by Johnson et al. and results with L-J parameters of methane agree considerably with the experiment measurements. We adopt the blocking method for variance estimation and error analysis of the simulation results. The relationship between variance and number of Monte Carlo cycles, error propagation and Random Number Generator performance are also investigated. We review the Gibbs-NPT ensemble employed for phase equilibrium of binary mixture. The phase equilibrium is achieved by performing three types of trial move: particle displacement, volume rearrangement and particle transfer. The simulation models and the simulation details are introduced. The simulation results of phase coexistence for methane and ethane are reported with comparison of the experimental data. Good agreement is found for a wide range of pressures. The contribution of this thesis work lies in the study of the error analysis with respect to the Monte Carlo cycles and number of particles in some interesting aspects.

  4. Adsorption of Cd (II on Modified Granular Activated Carbons: Isotherm and Column Study

    Directory of Open Access Journals (Sweden)

    Paola Rodríguez-Estupiñán

    2017-12-01

    Full Text Available In this work, equilibrium and dynamic adsorption tests of cadmium Cd (II on activated carbons derived from different oxidation treatments (with either HNO3, H2O2, or NaOCl, corresponding to GACoxN, GACoxP, and GACoxCl samples are presented. The oxidation treatments determined an increase in the surface functional groups (mainly the acidic ones and a decrease in the pHPZC (except for the GACoxCl sample. A slight alteration of the textural parameters was also observed, which was more significant for the GACoxCl sample, in terms of a decrease of both Brunauer-Emmett-Teller (BET surface area and micropore volume. Adsorption isotherms were determined for all the adsorbents and a significant increase in the adsorption performances of the oxidized samples with respect to the parent material was observed. The performances ranking was GACoxCl > GACoxP > GACoxN > GAC, likely due to the chemical surface properties of the adsorbents. Dynamic tests in a fixed bed column were carried out in terms of breakthrough curves at constant Cd inlet concentration and flow rate. GACoxCl and GACoxN showed a significantly higher value of the breakpoint time, likely due to the higher adsorption capacity. Finally, the dynamic tests were analyzed in light of a kinetic model. In the adopted experimental conditions, the results showed that mass transfer is controlled by internal pore diffusion, in which surface diffusion plays a major role.

  5. Isothermal relaxation current and microstructure changes of thermally aged polyester films impregnated by epoxy resin

    Science.gov (United States)

    Jiang, Xiongwei; Sun, Potao; Peng, Qingjun; Sima, Wenxia

    2018-01-01

    In this study, to understand the effect of thermal aging on polymer films degradation, specimens of polyester films impregnated by epoxy resin with different thermal aging temperatures (80 and 130 °C) and aging times (500, 1600, 2400 and 3000 h) are prepared, then charge de-trapping properties of specimens are investigated via the isothermal relaxation current (IRC) measurement, the distributions of trap level and its corresponding density are obtained based on the modified IRC model. It is found that the deep trap density increases remarkably at the beginning of thermal aging (before 1600 h), but it decreases obviously as the aging degree increases. At elevated aging temperature and, in particular considering the presence of air gap between two-layer insulation, the peak densities of deep traps decrease more significant in the late period of aging. It can be concluded that it is the released energy from de-trapping process leads to the fast degradation of insulation. Moreover, after thermal aging, the microstructure changes of crystallinity and molecular structures are analyzed via the x-ray diffraction experiment and Fourier transform infrared spectrometer. The results indicate that the variation of the deep trap density is closely linked with the changes of microstructure, a larger interface of crystalline/amorphous phase, more defects and broken chains caused by thermal aging form higher deep trap density stored in the samples.

  6. Kinetics of copper nanoparticle precipitation in phosphate glass: an isothermal plasmonic approach.

    Science.gov (United States)

    Sendova, Mariana; Jiménez, José A; Smith, Robert; Rudawski, Nicholas

    2015-01-14

    The kinetics of copper nanoparticle (NP) precipitation in melt-quenched barium-phosphate glass has been studied by in situ isothermal optical micro-spectroscopy. A spectroscopically based approximation technique is proposed to obtain information about the activation energies of nucleation and growth in a narrow temperature range (530-570 °C). Pre-plasmonic and plasmonic NP precipitation stages are identified separated in time. The process as a whole is discussed employing classical nucleation/growth theory and the Kolmogorov-Johnson-Mehl-Avrami phase change model. Activation energies of 3.9(7) eV and 2.6(5) eV have been estimated for the pre-plasmonic and plasmonic spectroscopically assessed stages, respectively. High resolution transmission electron microscopy, differential scanning calorimetry, and Raman spectroscopy were used as complementary techniques for studying the nanoparticulate phase and glass host structure. An empirical linear dependence of the diffusion activation energy on the glass transition temperature with broad applicability is suggested.

  7. Anisotropy evolution of nanoparticles under annealing: Benefits of isothermal remanent magnetization simulation

    Science.gov (United States)

    Tournus, Florent; Tamion, Alexandre; Hillion, Arnaud; Dupuis, Véronique

    2016-12-01

    Isothermal remanent magnetization (IRM) combined with Direct current demagnetization (DcD) are powerful tools to qualitatively study the interactions (through the Δm parameter) between magnetic particles in a granular media. For magnetic nanoparticles diluted in a matrix, it is possible to reach a regime where Δm is equal to zero, i.e. where interparticle interactions are negligible: one can then infer the intrinsic properties of nanoparticles through measurements on an assembly, which are analyzed by a combined fit procedure (based on the Stoner-Wohlfarth and Néel models). Here we illustrate the benefits of a quantitative analysis of IRM curves, for Co nanoparticles embedded in amorphous carbon (before and after annealing): while a large anisotropy increase may have been deduced from the other measurements, IRM curves provide an improved characterization of the nanomagnets intrinsic properties, revealing that it is in fact not the case. This shows that IRM curves, which only probe the irreversible switching of nanomagnets, are complementary to widely used low field susceptibility curves.

  8. Monte Carlo Molecular Simulation with Isobaric-Isothermal and Gibbs-NPT Ensembles

    KAUST Repository

    Du, Shouhong

    2012-05-01

    This thesis presents Monte Carlo methods for simulations of phase behaviors of Lennard-Jones fluids. The isobaric-isothermal (NPT) ensemble and Gibbs-NPT ensemble are introduced in detail. NPT ensemble is employed to determine the phase diagram of pure component. The reduced simulation results are verified by comparison with the equation of state by by Johnson et al. and results with L-J parameters of methane agree considerably with the experiment measurements. We adopt the blocking method for variance estimation and error analysis of the simulation results. The relationship between variance and number of Monte Carlo cycles, error propagation and Random Number Generator performance are also investigated. We review the Gibbs-NPT ensemble employed for phase equilibrium of binary mixture. The phase equilibrium is achieved by performing three types of trial move: particle displacement, volume rearrangement and particle transfer. The simulation models and the simulation details are introduced. The simulation results of phase coexistence for methane and ethane are reported with comparison of the experimental data. Good agreement is found for a wide range of pressures. The contribution of this thesis work lies in the study of the error analysis with respect to the Monte Carlo cycles and number of particles in some interesting aspects.

  9. Monolayer Adsorption of Ar and Kr on Graphite: Theoretical Isotherms and Spreading Pressures

    Science.gov (United States)

    Mulero; Cuadros

    1997-02-01

    The validity of analytical equations for two-dimensional fluids in the prediction of monolayer adsorption isotherms and spreading pressures of rare gases on graphite is analyzed. The statistical mechanical theory of Steele is used to relate the properties of the adsorbed and two-dimensional fluids. In such theory the model of graphite is a perfectly flat surface, which means that only the first order contribution of the fluid-solid interactions are taken into account. Two analytical equations for two-dimensional Lennard-Jones fluids are used: one proposed by Reddy-O'Shea, based in the fit on pressure and potential energy computer simulated results, and other proposed by Cuadros-Mulero, based in the fit of the Helmholtz free energy calculated from computer simulated results of the radial distribution function. The theoretical results are compared with experimental results of Constabaris et al. (J. Chem. Phys. 37, 915 (1962)) for Ar and of Putnam and Fort (J. Phys. Chem. 79, 459 (1975)) for Kr. Good agreement is found using both equations in both cases.

  10. Non-isothermal degradation kinetics of filled with rise husk ash polypropene composites

    Directory of Open Access Journals (Sweden)

    2008-02-01

    Full Text Available The thermal stability and kinetics of non-isothermal degradation of polypropene and polypropene composites filled with 20 mass% vigorously grounded and mixed raw rice husks (RRH, black rice husks ash (BRHA, white rice husks ash (WRHA and Aerosil Degussa (AR were studied. The calculation procedures of Coats – Redfern, Madhysudanan et al., Tang et al., Wanjun et al. and 27 model kinetic equations were used. The kinetics of thermal degradation were found to be best described by kinetic equations of n-th order (Fn mechanism. The kinetic parameters E, A, ΔS≠, ΔH≠and ΔG≠for all the samples studied were calculated. The highest values of n, E and A were obtained for the composites filled with WRHA and AR. A linear dependence between lnA and E was observed, known also as kinetic compensation effect. The results obtained were considered enough to conclude that the cheap RRH and the products of its thermal degradation BRHA and WRHA, after vigorously grounding and mixing, could successfully be used as fillers for polypropene instead of the much more expensive synthetic material Aerosil to prepare various polypropene composites.

  11. Anisotropy evolution of nanoparticles under annealing: Benefits of isothermal remanent magnetization simulation

    International Nuclear Information System (INIS)

    Tournus, Florent; Tamion, Alexandre; Hillion, Arnaud; Dupuis, Véronique

    2016-01-01

    Isothermal remanent magnetization (IRM) combined with Direct current demagnetization (DcD) are powerful tools to qualitatively study the interactions (through the Δm parameter) between magnetic particles in a granular media. For magnetic nanoparticles diluted in a matrix, it is possible to reach a regime where Δm is equal to zero, i.e. where interparticle interactions are negligible: one can then infer the intrinsic properties of nanoparticles through measurements on an assembly, which are analyzed by a combined fit procedure (based on the Stoner–Wohlfarth and Néel models). Here we illustrate the benefits of a quantitative analysis of IRM curves, for Co nanoparticles embedded in amorphous carbon (before and after annealing): while a large anisotropy increase may have been deduced from the other measurements, IRM curves provide an improved characterization of the nanomagnets intrinsic properties, revealing that it is in fact not the case. This shows that IRM curves, which only probe the irreversible switching of nanomagnets, are complementary to widely used low field susceptibility curves.

  12. Isothermal calorimeter for measurements of time-dependent heat generation rate in individual supercapacitor electrodes

    Science.gov (United States)

    Munteshari, Obaidallah; Lau, Jonathan; Krishnan, Atindra; Dunn, Bruce; Pilon, Laurent

    2018-01-01

    Heat generation in electric double layer capacitors (EDLCs) may lead to temperature rise and reduce their lifetime and performance. This study aims to measure the time-dependent heat generation rate in individual carbon electrode of EDLCs under various charging conditions. First, the design, fabrication, and validation of an isothermal calorimeter are presented. The calorimeter consisted of two thermoelectric heat flux sensors connected to a data acquisition system, two identical and cold plates fed with a circulating coolant, and an electrochemical test section connected to a potentiostat/galvanostat system. The EDLC cells consisted of two identical activated carbon electrodes and a separator immersed in an electrolyte. Measurements were performed on three cells with different electrolytes under galvanostatic cycling for different current density and polarity. The measured time-averaged irreversible heat generation rate was in excellent agreement with predictions for Joule heating. The reversible heat generation rate in the positive electrode was exothermic during charging and endothermic during discharging. By contrast, the negative electrode featured both exothermic and endothermic heat generation during both charging and discharging. The results of this study can be used to validate existing thermal models, to develop thermal management strategies, and to gain insight into physicochemical phenomena taking place during operation.

  13. Adsorption of Cd (II) on Modified Granular Activated Carbons: Isotherm and Column Study.

    Science.gov (United States)

    Rodríguez-Estupiñán, Paola; Erto, Alessandro; Giraldo, Liliana; Moreno-Piraján, Juan Carlos

    2017-12-20

    In this work, equilibrium and dynamic adsorption tests of cadmium Cd (II) on activated carbons derived from different oxidation treatments (with either HNO₃, H₂O₂, or NaOCl, corresponding to GACoxN, GACoxP, and GACoxCl samples) are presented. The oxidation treatments determined an increase in the surface functional groups (mainly the acidic ones) and a decrease in the pH PZC (except for the GACoxCl sample). A slight alteration of the textural parameters was also observed, which was more significant for the GACoxCl sample, in terms of a decrease of both Brunauer-Emmett-Teller ( BET ) surface area and micropore volume. Adsorption isotherms were determined for all the adsorbents and a significant increase in the adsorption performances of the oxidized samples with respect to the parent material was observed. The performances ranking was GACoxCl > GACoxP > GACoxN > GAC, likely due to the chemical surface properties of the adsorbents. Dynamic tests in a fixed bed column were carried out in terms of breakthrough curves at constant Cd inlet concentration and flow rate. GACoxCl and GACoxN showed a significantly higher value of the breakpoint time, likely due to the higher adsorption capacity. Finally, the dynamic tests were analyzed in light of a kinetic model. In the adopted experimental conditions, the results showed that mass transfer is controlled by internal pore diffusion, in which surface diffusion plays a major role.

  14. Adsorption of reactive dye from an aqueous solution by chitosan: isotherm, kinetic and thermodynamic analysis

    International Nuclear Information System (INIS)

    Annadurai, Gurusamy; Ling, L.Y.; Lee, J.-F.

    2008-01-01

    The adsorption of Remazol black 13 (Reactive) dye onto chitosan in aqueous solutions was investigated. Experiments were carried out as function of contact time, initial dye concentration (100-300 mg/L), particle size (0.177, 0.384, 1.651 mm), pH (6.7-9.0), and temperature (30-60 deg. C). The equilibrium adsorption data of reactive dye on chitosan were analyzed by Langmuir and Freundlich models. The maximum adsorption capacity (q m ) has been found to be 91.47-130.0 mg/g. The amino group nature of the chitosan provided reasonable dye removal capability. The kinetics of reactive dye adsorption nicely followed the pseudo-first and second-order rate expression which demonstrates that intraparticle diffusion plays a significant role in the adsorption mechanism. Isotherms have also been used to obtain the thermodynamic parameters such as free energy, enthalpy and entropy of adsorption. The positive value of the enthalpy change (0.212 kJ/mol) indicated that the adsorption is endothermic process. The results indicate that chitosan is suitable as adsorbent material for adsorption of reactive dye form aqueous solutions

  15. Estimating temperature reactivity coefficients by experimental procedures combined with isothermal temperature coefficient measurements and dynamic identification

    International Nuclear Information System (INIS)

    Tsuji, Masashi; Aoki, Yukinori; Shimazu, Yoichiro; Yamasaki, Masatoshi; Hanayama, Yasushi

    2006-01-01

    A method to evaluate the moderator coefficient (MTC) and the Doppler coefficient through experimental procedures performed during reactor physics tests of PWR power plants is proposed. This method combines isothermal temperature coefficient (ITC) measurement experiments and reactor power transient experiments at low power conditions for dynamic identification. In the dynamic identification, either one of temperature coefficients can be determined in such a way that frequency response characteristics of the reactivity change observed by a digital reactivity meter is reproduced from measured data of neutron count rate and the average coolant temperature. The other unknown coefficient can also be determined by subtracting the coefficient obtained from the dynamic identification from ITC. As the proposed method can directly estimate the Doppler coefficient, the applicability of the conventional core design codes to predict the Doppler coefficient can be verified for new types of fuels such as mixed oxide fuels. The digital simulation study was carried out to show the feasibility of the proposed method. The numerical analysis showed that the MTC and the Doppler coefficient can be estimated accurately and even if there are uncertainties in the parameters of the reactor kinetics model, the accuracies of the estimated values are not seriously impaired. (author)

  16. arXiv Isothermal compressibility of hadronic matter formed in relativistic nuclear collisions

    CERN Document Server

    Mukherjee, Maitreyee; Chatterjee, Arghya; Chatterjee, Sandeep; Adhya, Souvik Priyam; Thakur, Sanchari; Nayak, Tapan K.

    We present the first estimates of isothermal compressibility (\\kT) of hadronic matter formed in relativistic nuclear collisions (\\sNN=7.7~GeV to 2.76~TeV) using experimentally observed quantities. \\kT~is related to the fluctuation in particle multiplicity, temperature and volume of the system formed in the collisions. Multiplicity fluctuations are obtained from the event-by-event distributions of charged particle multiplicities in narrow centrality bins. The dynamical components of the fluctuations are extracted by removing the contributions to the fluctuations from the number of participating nucleons. From the available experimental data, a constant value of \\kT~has been observed as a function of collision energy. The results are compared with calculations from UrQMD, AMPT and EPOS event generators, and estimations of \\kT~are made for Pb-Pb collisions at the CERN Large Hadron Collider. A hadron resonance gas (HRG) model has been used to calculate \\kT~as a function of collision energy. Our results show a dec...

  17. Investigation of the Deformation Mechanism of a near β Titanium Alloy through Isothermal Compression

    Directory of Open Access Journals (Sweden)

    Jie Wu

    2017-11-01

    Full Text Available This study investigated the hot deformation behavior of Ti-4Al-1Sn-2Zr-5Mo-8V-2.5Cr alloy through isothermal compression tests at temperatures from 780 to 930 °C with strain rates ranging from 0.001 to 1 s−1. The flow stress decreases with a decreased strain rate and an increased temperature. A constitutive equation was established for this alloy and the dependence of activation energy on temperature and strain rate is discussed. We further proposed a processing map using the dynamic materials model. On the processing map various domains of flow stability and flow instability can be identified. The deformation mechanisms associated with flow stability regions are mainly dynamic recrystallization (DRX and dynamic recovery (DRV. The flow instability is manifested in the form of the band of flow localizations. The optimum processing conditions are suggested such that the temperature range is from 780 to 880 °C and the strain rate ranges from 0.001 to 0.01 s−1.

  18. Effect of drying method on the adsorption isotherms and isosteric heat of passion fruit pulp powder

    Directory of Open Access Journals (Sweden)

    Maria Angélica Marques Pedro

    2010-12-01

    Full Text Available The sorption behavior of dry products is generally affected by the drying method. The sorption isotherms are useful to determine and compare thermodynamic properties of passion fruit pulp powder processed by different drying methods. The objective of this study is to analyze the effects of different drying methods on the sorption properties of passion fruit pulp powder. Passion fruit pulp powder was dehydrated using different dryers: vacuum, spray dryer, vibro-fluidized, and freeze dryer. The moisture equilibrium data of Passion Fruit Pulp (PFP powders with 55% of maltodextrin (MD were determined at 20, 30, 40 and 50 ºC. The behavior of the curves was type III, according to Brunauer's classification, and the GAB model was fitted to the experimental equilibrium data. The equilibrium moisture contents of the samples were little affected by temperature variation. The spray dryer provides a dry product with higher adsorption capacity than that of the other methods. The vibro-fluidized bed drying showed higher adsorption capacity than that of vacuum and freeze drying. The vacuum and freeze drying presented the same adsorption capacity. The isosteric heats of sorption were found to decrease with increasing moisture content. Considering the effect of drying methods, the highest isosteric heat of sorption was observed for powders produced by spray drying, whereas powders obtained by vacuum and freeze drying showed the lowest isosteric heats of sorption.

  19. A Universal Method for Fishing Target Proteins from Mixtures of Biomolecules using Isothermal Titration Calorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, X.; Sun, Q; Kini, R; Sivaraman, J

    2008-01-01

    The most challenging tasks in biology include the identification of (1) the orphan receptor for a ligand, (2) the ligand for an orphan receptor protein, and (3) the target protein(s) for a given drug or a lead compound that are critical for the pharmacological or side effects. At present, several approaches are available, including cell- or animal-based assays, affinity labeling, solid-phase binding assays, surface plasmon resonance, and nuclear magnetic resonance. Most of these techniques are not easy to apply when the target protein is unknown and the compound is not amenable to labeling, chemical modification, or immobilization. Here we demonstrate a new universal method for fishing orphan target proteins from a complex mixture of biomolecules using isothermal titration calorimetry (ITC) as a tracking tool. We took snake venom, a crude mixture of several hundred proteins/peptides, as a model to demonstrate our proposed ITC method in tracking the isolation and purification of two distinct target proteins, a major component and a minor component. Identities of fished out target proteins were confirmed by amino acid sequencing and inhibition assays. This method has the potential to make a significant advancement in the area of identifying orphan target proteins and inhibitor screening in drug discovery and characterization.

  20. Anisotropy evolution of nanoparticles under annealing: Benefits of isothermal remanent magnetization simulation

    Energy Technology Data Exchange (ETDEWEB)

    Tournus, Florent, E-mail: florent.tournus@univ-lyon1.fr; Tamion, Alexandre; Hillion, Arnaud; Dupuis, Véronique

    2016-12-01

    Isothermal remanent magnetization (IRM) combined with Direct current demagnetization (DcD) are powerful tools to qualitatively study the interactions (through the Δm parameter) between magnetic particles in a granular media. For magnetic nanoparticles diluted in a matrix, it is possible to reach a regime where Δm is equal to zero, i.e. where interparticle interactions are negligible: one can then infer the intrinsic properties of nanoparticles through measurements on an assembly, which are analyzed by a combined fit procedure (based on the Stoner–Wohlfarth and Néel models). Here we illustrate the benefits of a quantitative analysis of IRM curves, for Co nanoparticles embedded in amorphous carbon (before and after annealing): while a large anisotropy increase may have been deduced from the other measurements, IRM curves provide an improved characterization of the nanomagnets intrinsic properties, revealing that it is in fact not the case. This shows that IRM curves, which only probe the irreversible switching of nanomagnets, are complementary to widely used low field susceptibility curves.

  1. Isothermal release of tritium from neutron-irradiated Li/sub 2/O pellets

    Energy Technology Data Exchange (ETDEWEB)

    O' Hira, Shigeru; Nagao, Hiroshi; Fujii, Yasuhiko; Okamoto, Makoto

    1986-04-01

    Li/sub 2/O pellets irradiated with thermal neutrons were isothermally annealed to release tritium in a helium atmosphere at temperatures ranging from 673 to 1073 K. The release rates were found to significantly increase at elevated temperatures and to depend on the density of the Li/sub 2/O pellet. The overall diffusion coefficients of the release process were calculated using the cylindrical geometry model for the pellets as D(cm/sup 2/ s/sup -1/)=1.02 x 10/sup -3/ exp(-51.0 kJ mol/sup -1//RT)(90% theoretical density pellets), and D (cm/sup 2/ s/sup -1/)=2.64 x 10/sup -3/ exp(-46.5 kJ mol/sup -1//RT)(ca. 80% T.D. pellets) over the region 773 <= T <= 1073/sup 0/K. The result of the release experiment at 673/sup 0/K sugested that the diffusion rate was controlled by the decomposition of lithium hydroxide on the surface of Li/sub 2/O grains.

  2. Misuse of thermodynamics in the interpretation of isothermal titration calorimetry data for ligand binding to proteins.

    Science.gov (United States)

    Pethica, Brian A

    2015-03-01

    Isothermal titration calorimetry (ITC) has given a mass of data on the binding of small molecules to proteins and other biopolymers, with particular interest in drug binding to proteins chosen as therapeutic indicators. Interpretation of the enthalpy data usually follows an unsound protocol that uses thermodynamic relations in circumstances where they do not apply. Errors of interpretation include incomplete definitions of ligand binding and equilibrium constants and neglect of the non-ideality of the solutions under study, leading to unreliable estimates of standard free energies and entropies of binding. The mass of reported thermodynamic functions for ligand binding to proteins estimated from ITC enthalpies alone is consequently of uncertain thermodynamic significance and utility. ITC and related experiments to test the protocol assumptions are indicated. A thermodynamic procedure avoiding equilibrium constants or other reaction models and not requiring protein activities is given. The discussion draws attention to the fundamental but neglected relation between the thermodynamic activity and bioactivity of drugs and to the generally unknown thermodynamic status of ligand solutions, which for drugs relates directly to effective therapeutic dosimetry. Copyright © 2014 Elsevier Inc. All rights reserved.

  3. Hot Deformation Behavior and Pulse Current Auxiliary Isothermal Forging of Hot Pressing Sintering TiAl Based Alloys.

    Science.gov (United States)

    Shi, Chengcheng; Jiang, Shaosong; Zhang, Kaifeng

    2017-12-16

    This paper focuses on the fabrication of as-forged Ti46.5Al2Cr1.8Nb-(W, B) alloy via pulse current auxiliary isothermal forging (PCIF). The starting material composed of near gamma (NG) microstructure was fabricated by adopting pre-alloyed powders via hot pressing sintering (HPS) at 1300 °C. Isothermal compression tests were conducted at a strain rate range of 0.001-0.1 s -1 and a temperature range of 1125-1275 °C to establish the constitutive model and processing map. The optimal hot deformation parameters were successfully determined (in a strain rate range of 10 -3 -2.5 × 10 -3 s -1 and temperature range of 1130-1180 °C) based on the hot processing map and microstructure observation. Accordingly, an as-forged TiAl based alloy without cracks was successfully fabricated by PCIF processing at 1175 °C with a nominal strain rate of 10 -3 s -1 . Microstructure observation indicated that complete dynamic recrystallization (DRX) and phase transformation of γ→α₂ occurred during the PCIF process. The elongation of as-forged alloy was 136%, possessing a good secondary hot workability, while the sintered alloy was only 66% when tested at 900 °C with a strain rate of 2 × 10 -4 s -1 .

  4. Analysis of three-phase equilibrium conditions for methane hydrate by isometric-isothermal molecular dynamics simulations

    Science.gov (United States)

    Yuhara, Daisuke; Brumby, Paul E.; Wu, David T.; Sum, Amadeu K.; Yasuoka, Kenji

    2018-05-01

    To develop prediction methods of three-phase equilibrium (coexistence) conditions of methane hydrate by molecular simulations, we examined the use of NVT (isometric-isothermal) molecular dynamics (MD) simulations. NVT MD simulations of coexisting solid hydrate, liquid water, and vapor methane phases were performed at four different temperatures, namely, 285, 290, 295, and 300 K. NVT simulations do not require complex pressure control schemes in multi-phase systems, and the growth or dissociation of the hydrate phase can lead to significant pressure changes in the approach toward equilibrium conditions. We found that the calculated equilibrium pressures tended to be higher than those reported by previous NPT (isobaric-isothermal) simulation studies using the same water model. The deviations of equilibrium conditions from previous simulation studies are mainly attributable to the employed calculation methods of pressure and Lennard-Jones interactions. We monitored the pressure in the methane phase, far from the interfaces with other phases, and confirmed that it was higher than the total pressure of the system calculated by previous studies. This fact clearly highlights the difficulties associated with the pressure calculation and control for multi-phase systems. The treatment of Lennard-Jones interactions without tail corrections in MD simulations also contributes to the overestimation of equilibrium pressure. Although improvements are still required to obtain accurate equilibrium conditions, NVT MD simulations exhibit potential for the prediction of equilibrium conditions of multi-phase systems.

  5. Adsorption isotherms of some alkyl aromatic hydrocarbons and surface energies on partially dealuminated Y faujasite zeolite by inverse gas chromatography.

    Science.gov (United States)

    Kondor, Anett; Dallos, András

    2014-10-03

    Adsorption isotherm data of some alkyl aromatic hydrocarbons (benzene, toluene, ethylbenzene, o-xylene, m-xylene and p-xylene) measured in the temperature range of 423-523K on a partially dealuminated faujasite type DAY F20 zeolite by inverse gas chromatography are presented in this work. The temperature dependent form of Tóth's equation has been fitted to the multiple temperature adsorption isotherms of benzene, toluene, ethylbenzene, o-xylene, m-xylene and p-xylene with standard deviations of 4.6, 5.0, 5.9, 4.3, 5.1 and 6.3mmolkg(-1) and coefficients of determinations (r(2)) of 0.977, 0.971, 0.974, 0.975, 0.991 and 0.991, respectively. The gas-solid equilibria and modeling were interpreted on the basis of the interfacial properties of the zeolite, by dispersive, specific and total surface energy heterogeneity profiles and distributions of the adsorbent measured by surface energy analysis. Copyright © 2014 Elsevier B.V. All rights reserved.

  6. Characterization of hydroxybenzoic acid chelating resins: equilibrium, kinetics, and isotherm profiles for Cd(II and Pb(II uptake

    Directory of Open Access Journals (Sweden)

    BHAVNA A. SHAH

    2011-06-01

    Full Text Available Chelating ion-exchange resins were synthesized by polycondensation of ortho/para hydroxybenzoic acid with resorcinol/catechol employing formaldehyde as cross-linking agent at 80±5 °C in DMF. The resins were characterized by FTIR and XRD. The uptake behaviour of synthesized resins for Cd(II and Pb(II ions have been studied depending on contact time, pH, metal ion concentration and temperature. The sorption data obtained at optimized conditions were analyzed by the Langmuir and Freundlich isotherms. Experimental data of all metal–resin system were best represented by the Freundlich isotherm. The maximum obtained sorption capacity for cadmium was 69.53 mg g-1 and 169.32 mg g-1 for Lead. The adsorption process follows first order kinetics and the specific rate constant Kr was obtained by the application of the Lagergan equation. Thermodynamic parameters ∆Gads, ∆Sads and ∆Hads were calculated for the metal–resin systems. The external diffusion rate constant (KS and the intra-particle diffusion rate constant (Kid were calculated by the Spahn–Schlunder and Weber–Morris models, respectively. The sorption process was found to follow an intra-particle diffusion phenomenon.

  7. Sorption of alkylphenols on Ebro River sediments: Comparing isotherms with field observations in river water and sediments

    Energy Technology Data Exchange (ETDEWEB)

    Navarro, Alicia [Center of Applied Geoscience, University of Tuebingen, Sigwartstrasse 10, 72076 Tuebingen (Germany); Institute of Environmental Assessment and Water Research (IDAEA-CSIC), Jordi Girona 18-26, 08034 Barcelona (Spain)], E-mail: anoqam@iiqab.csic.es; Endo, Satoshi; Gocht, Tilman [Center of Applied Geoscience, University of Tuebingen, Sigwartstrasse 10, 72076 Tuebingen (Germany); Barth, Johannes A.C. [Center of Applied Geoscience, University of Tuebingen, Sigwartstrasse 10, 72076 Tuebingen (Germany); Lehrstuhl fuer Angewandte Geologie, GeoZentrum Nordbayern, Universitaet Erlangen-Nuernberg, Schlossgarten 5, 91054 Erlangen (Germany); Lacorte, Silvia [Institute of Environmental Assessment and Water Research (IDAEA-CSIC), Jordi Girona 18-26, 08034 Barcelona (Spain); Barcelo, Damia [Institute of Environmental Assessment and Water Research (IDAEA-CSIC), Jordi Girona 18-26, 08034 Barcelona (Spain); Institut Catala de Recerca de l' Aigua (ICRA), Parc Cientific i Tecnologic de la Universitat de Girona, Pic de Peguera, 15, 17003 Girona (Spain); Grathwohl, Peter [Center of Applied Geoscience, University of Tuebingen, Sigwartstrasse 10, 72076 Tuebingen (Germany)

    2009-02-15

    This study reports sorption isotherms of the endocrine disruptors nonylphenol (NP) and octylphenol (OP) in three sediment samples from the Ebro River basin (NE Spain), with organic carbon fractions (f{sub OC}) ranging from 0.0035 to 0.082 g{sub OC} g{sup -1}. All isotherms were fitted to the Freundlich model with slightly nonlinear exponents ranging from 0.80 to 0.94. The solubility of the compounds as well as the organic carbon (OC) content had the strongest influences on the sorption behavior of these compounds. Comparison of the laboratory-spiked samples with the native contamination of NP of 45 water and concurrent sediment samples resulted in reasonable matches between both data sets, even though the lowest concentrations in the field were not completely reached in laboratory tests. This good agreement indicates that sorption laboratory data can be extrapolated to environmental levels and therefore the distribution of nonylphenol between sediments and water can be predicted with a precision of one order of magnitude. Furthermore, laboratory experiments with simultaneous loading of NP and OP revealed negligible competition for sorption sites at low concentrations. - Laboratory sorption of nonylphenol compared to field concentrations showed good agreements.

  8. Sorption of alkylphenols on Ebro River sediments: Comparing isotherms with field observations in river water and sediments

    International Nuclear Information System (INIS)

    Navarro, Alicia; Endo, Satoshi; Gocht, Tilman; Barth, Johannes A.C.; Lacorte, Silvia; Barcelo, Damia; Grathwohl, Peter

    2009-01-01

    This study reports sorption isotherms of the endocrine disruptors nonylphenol (NP) and octylphenol (OP) in three sediment samples from the Ebro River basin (NE Spain), with organic carbon fractions (f OC ) ranging from 0.0035 to 0.082 g OC g -1 . All isotherms were fitted to the Freundlich model with slightly nonlinear exponents ranging from 0.80 to 0.94. The solubility of the compounds as well as the organic carbon (OC) content had the strongest influences on the sorption behavior of these compounds. Comparison of the laboratory-spiked samples with the native contamination of NP of 45 water and concurrent sediment samples resulted in reasonable matches between both data sets, even though the lowest concentrations in the field were not completely reached in laboratory tests. This good agreement indicates that sorption laboratory data can be extrapolated to environmental levels and therefore the distribution of nonylphenol between sediments and water can be predicted with a precision of one order of magnitude. Furthermore, laboratory experiments with simultaneous loading of NP and OP revealed negligible competition for sorption sites at low concentrations. - Laboratory sorption of nonylphenol compared to field concentrations showed good agreements

  9. Analysis of three-phase equilibrium conditions for methane hydrate by isometric-isothermal molecular dynamics simulations.

    Science.gov (United States)

    Yuhara, Daisuke; Brumby, Paul E; Wu, David T; Sum, Amadeu K; Yasuoka, Kenji

    2018-05-14

    To develop prediction methods of three-phase equilibrium (coexistence) conditions of methane hydrate by molecular simulations, we examined the use of NVT (isometric-isothermal) molecular dynamics (MD) simulations. NVT MD simulations of coexisting solid hydrate, liquid water, and vapor methane phases were performed at four different temperatures, namely, 285, 290, 295, and 300 K. NVT simulations do not require complex pressure control schemes in multi-phase systems, and the growth or dissociation of the hydrate phase can lead to significant pressure changes in the approach toward equilibrium conditions. We found that the calculated equilibrium pressures tended to be higher than those reported by previous NPT (isobaric-isothermal) simulation studies using the same water model. The deviations of equilibrium conditions from previous simulation studies are mainly attributable to the employed calculation methods of pressure and Lennard-Jones interactions. We monitored the pressure in the methane phase, far from the interfaces with other phases, and confirmed that it was higher than the total pressure of the system calculated by previous studies. This fact clearly highlights the difficulties associated with the pressure calculation and control for multi-phase systems. The treatment of Lennard-Jones interactions without tail corrections in MD simulations also contributes to the overestimation of equilibrium pressure. Although improvements are still required to obtain accurate equilibrium conditions, NVT MD simulations exhibit potential for the prediction of equilibrium conditions of multi-phase systems.

  10. Water-Column Stratification Observed along an AUV-Tracked Isotherm

    Science.gov (United States)

    Zhang, Y.; Messié, M.; Ryan, J. P.; Kieft, B.; Stanway, M. J.; Hobson, B.; O'Reilly, T. C.; Raanan, B. Y.; Smith, J. M.; Chavez, F.

    2016-02-01

    Studies of marine physical, chemical and microbiological processes benefit from observing in a Lagrangian frame of reference, i.e. drifting with ambient water. Because these processes can be organized relative to specific density or temperature ranges, maintaining observing platforms within targeted environmental ranges is an important observing strategy. We have developed a novel method to enable a Tethys-class long-range autonomous underwater vehicle (AUV) (which has a propeller and a buoyancy engine) to track a target isotherm in buoyancy-controlled drift mode. In this mode, the vehicle shuts off its propeller and autonomously detects the isotherm and stays with it by actively controlling the vehicle's buoyancy. In the June 2015 CANON (Controlled, Agile, and Novel Observing Network) Experiment in Monterey Bay, California, AUV Makai tracked a target isotherm for 13 hours to study the coastal upwelling system. The tracked isotherm started from 33 m depth, shoaled to 10 m, and then deepened to 29 m. The thickness of the tracked isotherm layer (within 0.3°C error from the target temperature) increased over this duration, reflecting weakened stratification around the isotherm. During Makai's isotherm tracking, another long-range AUV, Daphne, acoustically tracked Makai on a circular yo-yo trajectory, measuring water-column profiles in Makai's vicinity. A wave glider also acoustically tracked Makai, providing sea surface measurements on the track. The presented method is a new approach for studying water-column stratification, but requires careful analysis of the temporal and spatial variations mingled in the vehicles' measurements. We will present a synthesis of the water column's stratification in relation to the upwelling conditions, based on the in situ measurements by the mobile platforms, as well as remote sensing and mooring data.

  11. Material characterization and finite element simulations of aluminum alloy sheets during non-isothermal forming process

    Science.gov (United States)

    Zhang, Nan

    The utilization of more non-ferrous materials is one of the key factors to succeed out of the constantly increasing demand for lightweight vehicles in automotive sector. Aluminum-magnesium alloys have been identified as the most promising substitutions to the conventional steel without significant compromise in structural stiffness and strength. However, the conventional forming methods to deform the aluminum alloy sheets are either costly or insufficient in formability which limit the wide applications of aluminum alloy sheets. A recently proposed non-isothermal hot stamping approach, which is also referred as Hot Blank - Cold Die (HB-CD) stamping, aims at fitting the commercial grade aluminum alloy sheets, such as AA5XXX and AA7XXX, into high-volume and cost-effective production for automotive sector. In essence, HB-CD is a mutation of the conventional hot stamping approach for boron steel (22MnB5) which deforms the hot blank within the cold tool set. By elevating the operation temperature, the formability of aluminum alloy sheets can be significantly improved. Meanwhile, heating the blank only and deforming within the cold tool sets allow to reduce the energy and time consumed. This research work aims at conducting a comprehensive investigation of HB-CD with particular focuses on material characterization, constitutive modeling and coupled thermo-mechanical finite element simulations with validation. The material properties of AA5182-O, a popular commercial grade of aluminum alloy sheet in automotive sector, are obtained through isothermal tensile testing at temperatures from 25° to 300°, covering a quasi-static strain-rate range (0.001--0.1s-1). As the state-of-the-art non-contact strain measurement technique, digital image correlation (DIC) system is utilized to evaluate the stress-strain curves as well as to reveal the details of material deformation with full-field and multi-axis strain measurement. Material anisotropy is characterized by extracting the

  12. 3D imaging using X-Ray tomography and SEM combined FIB to study non isothermal creep damage of (111) oriented samples of γ / γ ′ nickel base single crystal superalloy MC2

    KAUST Repository

    Jouiad, Mustapha

    2012-01-01

    An unprecedented investigation consisting of the association of X-Ray tomography and Scanning Electron Microscopy combined with Focus Ion Beam (SEM-FIB) is conducted to perform a 3D reconstruction imaging. These techniques are applied to study the non-isothermal creep behavior of close (111) oriented samples of MC2 nickel base superalloys single crystal. The issue here is to develop a strategy to come out with the 3D rafting of γ\\' particles and its interaction whether with dislocation structures or/and with the preexisting voids. This characterization is uncommonly performed away from the conventional studied orientation [001] in order to feed the viscoplastic modeling leading to its improvement by taking into account the crystal anisotropy. The creep tests were performed at two different conditions: classical isothermal tests at 1050°C under 140 MPa and a non isothermal creep test consisting of one overheating at 1200°C and 30 seconds dwell time during the isothermal creep life. The X-Ray tomography shows a great deformation heterogeneity that is pronounced for the non-isothermal tested samples. This deformation localization seems to be linked to the preexisting voids. Nevertheless, for both tested samples, the voids coalescence is the precursor of the observed damage leading to failure. SEM-FIB investigation by means of slice and view technique gives 3D views of the rafted γ\\' particles and shows that γ corridors evolution seems to be the main creep rate controlling parameter. © 2012 Trans Tech Publications, Switzerland.

  13. Sorption isotherms, GAB parameters and isosteric heat of sorption

    NARCIS (Netherlands)

    Quirijns, E.J.; Boxtel, van A.J.B.; Loon, van W.K.P.; Straten, van G.

    2005-01-01

    The diffusion-sorption drying model has been developed as a physics-based way to model the decreasing drying rate at low moisture contents. This new model is founded on the existence of different classes of water: free and bound water. The transition between these classes and the corresponding

  14. A stability investigation of two-dimensional surface waves on evaporating, isothermal or condensing liquid films - Part I, Thermal non-equilibrium effects on wave velocity

    International Nuclear Information System (INIS)

    Chunxi, L.; Xuemin, Y.

    2004-01-01

    The temporal stability equation of the two-dimensional traveling waves of evaporating or condensing liquid films falling down on an inclined wall is established based on the Prandtl boundary layer theory and complete boundary conditions. The model indicates that the wave velocity is related to the effects of evaporating, isothermal and condensing states, thermo-capillarity, Reynolds number, fluid property and inclined angle, and the effects of above factors are distinctly different under different Reynolds numbers. The theoretical studies show that evaporation process induces the wave velocity to increase slightly compared with the isothermal case, and condensation process induces the wave velocity to decrease slightly. Furthermore, the wave velocity decreases because of the effects of thermo-capillarity under evaporation and increases because of the effects of thermo-capillarity under condensation. The effects of thermal non-equilibrium conditions have relatively obvious effects under lower Reynolds numbers and little effects under higher Reynolds numbers

  15. Simulation of non-isothermal gas-water processes in complex fracture-matrix systems

    International Nuclear Information System (INIS)

    Jakobs, H.

    2004-01-01

    Degassing effects may occur in fractures in the vicinity of deep radioactive-waste-disposal sites as a result of a pressure drop. These effects play an important role in the investigation of the hydraulic conditions in the near field of the disposal sites. The assumption of single-phase conditions may lead to the misinterpretation of experimental data as degassing leads to two-phase conditions and to a reduction of the effective permeability. The aim of this work is to contribute to the simulation of non-isothermal behaviour of water-gas systems in the near field of atomic waste disposal sites in fractured porous media. We distinguish between sub-REV effects within single fractures and effects due to super-REV heterogeneities which result from the fracture matrix system. We assume to have undisturbed physical conditions as report from the AespoeHard Rock Laboratory in Sweden, i.e.: - a fully water saturated system - a hydrostatic pressure of 5 million Pa. For the simulation on the laboratory scale we use a percolation model. To transfer the information from the laboratory scale to the field scale we use a renormalisation scheme. On the field scale we use a numerical simulator which solves the multiphase flow equations based on the extended form of Darcy's law. In order to investigate the limits of our models we analyse the importance of the forces taken into account, i.e., capillary forces, gravity forces, and viscous forces. This method allows us to quantify the constraints of our models. Furthermore, we investigate the influence of strong parameter heterogeneities caused by the fracture-matrix system on the flow behaviour of gas and water. We consider in particular the influence of the large difference between the entry pressures of matrix and fracture on the migration of the gas phase from the fracture system into the matrix system. (orig.)

  16. Biosorption of Cd+2 by green plant biomass, Araucaria heterophylla: characterization, kinetic, isotherm and thermodynamic studies

    Science.gov (United States)

    Sarada, B.; Krishna Prasad, M.; Kishore Kumar, K.; Murthy, Ch V. R.

    2017-11-01

    The present study attempted to analyze the biosorption behavior of novel biosorbent, Araucaria heterophylla (green plant) biomass, to remove Cd+2 from solutions against various parameters, i.e., initial metal ion concentration, pH, temperature, sorbent dosage and biomass particle size. The maximum biosorption was found to be 90.02% at pH 5.5 and biosorption capacity ( q e) of Cd+2 is 9.2506 mg g-1. The Langmuir and Freundlich equilibrium adsorption isotherms were studied and it was observed that Freundlich model is the best fit than the Langmuir model with correlation co-efficient of 0.999. Kinetic studies indicated that the biosorption process of Cd+2 well followed the pseudo-second-order model with R 2 0.999. Thermodynamic studies observed that the process is exothermic (Δ H ° negative). Free energy change (Δ G °) with negative sign reflected the feasibility and spontaneous nature of the process. The chemical functional -OH groups, CH2 stretching vibrations, C=O carbonyl group of alcohol, C=O carbonyl group of amide, P=O stretching vibrations and -CH groups were involved in the biosorption process. The XRD pattern of the A. heterophylla was found to be mostly amorphous in nature. The SEM studies showed Cd+2 biosorption on selective grains of the biosorbent. It was concluded that A. heterophylla leaf powder can be used as an effective, low-cost, and environmentally friendly biosorbent for the removal of Cd+2 from aqueous solution.

  17. Defining a procedure for predicting the duration of the approximately isothermal segments within the proposed drying regime as a function of the drying air parameters

    Science.gov (United States)

    Vasić, M.; Radojević, Z.

    2017-08-01

    One of the main disadvantages of the recently reported method, for setting up the drying regime based on the theory of moisture migration during drying, lies in a fact that it is based on a large number of isothermal experiments. In addition each isothermal experiment requires the use of different drying air parameters. The main goal of this paper was to find a way how to reduce the number of isothermal experiments without affecting the quality of the previously proposed calculation method. The first task was to define the lower and upper inputs as well as the output of the “black box” which will be used in the Box-Wilkinson’s orthogonal multi-factorial experimental design. Three inputs (drying air temperature, humidity and velocity) were used within the experimental design. The output parameter of the model represents the time interval between any two chosen characteristic points presented on the Deff - t. The second task was to calculate the output parameter for each planed experiments. The final output of the model is the equation which can predict the time interval between any two chosen characteristic points as a function of the drying air parameters. This equation is valid for any value of the drying air parameters which are within the defined area designated with lower and upper limiting values.

  18. Kinetic Analysis of Isothermal Decomposition Process of Sodium Bicarbonate Using the Weibull Probability Function—Estimation of Density Distribution Functions of the Apparent Activation Energies

    Science.gov (United States)

    Janković, Bojan

    2009-10-01

    The decomposition process of sodium bicarbonate (NaHCO3) has been studied by thermogravimetry in isothermal conditions at four different operating temperatures (380 K, 400 K, 420 K, and 440 K). It was found that the experimental integral and differential conversion curves at the different operating temperatures can be successfully described by the isothermal Weibull distribution function with a unique value of the shape parameter ( β = 1.07). It was also established that the Weibull distribution parameters ( β and η) show independent behavior on the operating temperature. Using the integral and differential (Friedman) isoconversional methods, in the conversion (α) range of 0.20 ≤ α ≤ 0.80, the apparent activation energy ( E a ) value was approximately constant ( E a, int = 95.2 kJmol-1 and E a, diff = 96.6 kJmol-1, respectively). The values of E a calculated by both isoconversional methods are in good agreement with the value of E a evaluated from the Arrhenius equation (94.3 kJmol-1), which was expressed through the scale distribution parameter ( η). The Málek isothermal procedure was used for estimation of the kinetic model for the investigated decomposition process. It was found that the two-parameter Šesták-Berggren (SB) autocatalytic model best describes the NaHCO3 decomposition process with the conversion function f(α) = α0.18(1-α)1.19. It was also concluded that the calculated density distribution functions of the apparent activation energies ( ddfE a ’s) are not dependent on the operating temperature, which exhibit the highly symmetrical behavior (shape factor = 1.00). The obtained isothermal decomposition results were compared with corresponding results of the nonisothermal decomposition process of NaHCO3.

  19. Isotherm and kinetic studies on adsorption of oil sands process-affected water organic compounds using granular activated carbon.

    Science.gov (United States)

    Islam, Md Shahinoor; McPhedran, Kerry N; Messele, Selamawit A; Liu, Yang; Gamal El-Din, Mohamed

    2018-07-01

    The production of oil from oil sands in northern Alberta has led to the generation of large volumes of oil sands process-affected water (OSPW) that was reported to be toxic to aquatic and other living organisms. The toxicity of OSPW has been attributed to the complex nature of OSPW matrix including the inorganic and organic compounds primarily naphthenic acids (NAs: C n H 2n+Z O x ). In the present study, granular activated carbon (GAC) adsorption was investigated for its potential use to treat raw and ozonated OSPW. The results indicated that NA species removal increased with carbon number (n) for a fixed Z number; however, the NA species removal decreased with Z number for a fixed carbon number. The maximum adsorption capacities obtained from Langmuir adsorption isotherm based on acid-extractable fraction (AEF) and NAs were 98.5 mg and 60.9 mg AEF/g GAC and 60 mg and 37 mg NA/g GAC for raw and ozonated OSPW, respectively. It was found that the Freundlich isotherm model best fits the AEF and NA equilibrium data (r 2  ≥ 0.88). The adsorption kinetics showed that the pseudo-second order and intraparticle diffusion models were both appropriate in modeling the adsorption kinetics of AEF and NAs to GAC (r 2  ≥ 0.97). Although pore diffusion was the rate limiting step, film diffusion was still significant for assessing the rate of diffusion of NAs. This study could be helpful to model, design and optimize the adsorption treatment technologies of OSPW and to assess the performance of other adsorbents. Copyright © 2018 Elsevier Ltd. All rights reserved.

  20. Experiences of fitting isotherms to data from batch sorption experiments for radionuclides on tuffs

    International Nuclear Information System (INIS)

    Polzer, W.L.; Fuentes, H.R.

    1989-11-01

    Laboratory experiments have been performed on the sorption of radionuclides on tuff as site characterization information for the Yucca Mountain Project. This paper presents general observations on the results of curve-fitting of sorption data by isotherm equations and the effects of experimental variables on their regressional analysis. Observations are specific to the effectiveness and problems associated with fitting isotherms, the calculation and value of isotherm parameters, and the significance of experimental variables such as replication, particle size, mode of sorption, and mineralogy. These observations are important in the design of laboratory experiments to ensure that collected data are adequate for effectively characterizing sorption of radionuclides on tuffs or other materials. 13 refs., 2 figs., 4 tabs