Optimization of the immobilization process of β-galatosidade by combined entrapment-cross-linking and the kinetics of lactose hydrolysis

Directory of Open Access Journals (Sweden)

F. F. Freitas

2012-03-01

Full Text Available The immobilization of Aspergillus oryzae β-galactosidase was achieved by entrapment in sodium alginate and gelatin and cross-linking with glutaraldehyde. The optimal concentrations of the aforementioned variables in the immobilization process were determined using an orthogonal central composite design with an orthogonal axial value of 1.35313. The concentrations of alginate, gelatin and glutaraldehyde that provided the greatest enzymatic activity were 6.60%, 4.05% and 3.64% (w/v, respectively. The stability of the immobilized enzyme under the optimal conditions was evaluated through daily activity assays. After 25 uses, a 20% decrease in the enzymatic activity was observed, indicating that the immobilization process could be used to produce a stable biocatalyst. This study investigates the influence of lactose and product concentrations on kinetic reaction hydrolysis. The concentration ranges for the studied variables were 10 to 56 g/L for lactose and 0 to 11.5 g/L for glucose and galactose. Only galactose presented a competitive inhibitory effect.

Ultrasound-assisted lipase-catalyzed synthesis of D-isoascorbyl palmitate: process optimization and Kinetic evaluation.

Science.gov (United States)

Cui, Feng-Jie; Zhao, Hong-Xia; Sun, Wen-Jing; Wei, Zhuan; Yu, Si-Lian; Zhou, Qiang; Dong, Ying

2013-12-09

D-isoascorbic acid is a food antioxidant additive and used in accordance with Good Manufacturing Practice (GMP). High solubility in water (about 150 g/L at 25°C) reduces its effectiveness in stabilizing fats and oils. Our research group had successfully synthesized D-isoascorbyl palmitate using immobilized lipase Novozym 435 as a biocatalyst. Low production efficiency of D-isoascorbyl palmitate is still a problem for industrial production due to the long reaction time of over 24 h. In the present work, ultrasonic treatment was applied for accelerating the reaction process. The operation parameters were optimized to obtain the maximum D-isoascorbyl palmitate conversion rate by using a 5-level-4-factor Central Composite Design (CCD) and Response Surface Methdology (RSM). The reaction apparent kinetic parameters under the ultrasound treatment and mechanical shaking conditions were also determined and compared. Results showed that ultrasound treatment decreased the reaction time by over 50%. D-isoascorbyl palmitate yielded to 94.32 ± 0.17% and the productivity reached to 8.67 g L-1 h-1 under the optimized conditions as: 9% of enzyme load (w/w), 61°C of reaction temperature, 1:5 of D- isoascorbic-to-palmitic acid molar ratio, and 137 W of the ultrasound power. The immobilized lipase Novozym 435 could be reused for 7 times with 65% of the remained D-isoascorbyl palmitate conversion rate. The reaction kinetics showed that the maximum apparent reaction rate (vmax) of the ultrasound-assisted reaction was 2.85 times higher than that of the mechanical shaking, which proved that ultrasound treatment significantly enhanced the reaction efficiency. A systematic study on ultrasound-assisted enzymatic esterification for D-isoascorbyl palmitate production is reported. The results show a promising perspective of the ultrasound technique to reduce the reaction time and improve the production efficiency. The commercial D-isoascorbyl palmitate synthesis will be potentially

Kinetics based reaction optimization of enzyme catalysed reduction of formaldehyde to methanol with synchronous cofactor regeneration

DEFF Research Database (Denmark)

Marpani, Fauziah Binti; Sárossy, Zsuzsa; Pinelo, Manuel

2017-01-01

regeneration of the reducing equivalents during reaction is required. Herein, we report the optimization of the enzymatic conversion of formaldehyde (CHOH) to CH3 OH by alcohol dehydrogenase, the final step of the enzymatic redox reaction of CO2 to CH3 OH, with kinetically synchronous enzymatic cofactor...... regeneration using either glucose dehydrogenase (System I) or xylose dehydrogenase (System II). A mathematical model of the enzyme kinetics was employed to identify the best reaction set-up for attaining optimal cofactor recycling rate and enzyme utilization efficiency. Targeted process optimization...... experiments were conducted to verify the kinetically modelled results. Repetitive reaction cycles were shown to enhance the yield of CH3 OH, increase the total turnover number (TTN) and the biocatalytic productivity rate (BPR) value for both system I and II whilst minimizing the exposure of the enzymes...

Optimal design of multistage chemostats in series using different microbial growth kinetics

Energy Technology Data Exchange (ETDEWEB)

Qasim, Muhammad [Petroleum Engineering Technology, Abu Dhabi Polytechnic (United Arab Emirates)

2013-07-01

In this paper, the optimum design of multistage chemostats (CSTRs) was investigated. The optimal design was based on the minimum overall reactor volume using different volume for each chemostat. The paper investigates three different microbial growth kinetics; Monod kinetics, Contois kinetics and the Logistic equation. The total dimensionless residence time (theta Total) was set as the optimization objective function that was minimized by varying the intermediate dimensionless substrate concentration (alfa i). The effect of inlet substrate concentration (S0) to the first reactor on the optimized total dimensionless residence time was investigated at a constant conversion of 0.90. In addition, the effect of conversion on the optimized total dimensionless residence time was also investigated at constant inlet substrate concentration (S0). For each case, optimization was done using up to five chemostats in series.

Spray Drying Processing: granules production and drying kinetics of droplets

International Nuclear Information System (INIS)

Mondragon, R.; Julia, J. E.; Barba, A.; Jarque, J. C.

2013-01-01

Spray drying is a unit operation very common in many industrial processes. For each particular application, the resulting granulated material must possess determined properties that depend on the conditions in which the spray drying processing has been carried out, and whose dependence must be known in order to optimize the quality of the material obtained. The large number of variables that influence on the processes of matter and energy transfer and on the formation of granular material has required a detailed analysis of the drying process. Over the years there have been many studies on the spray drying processing of all kind of materials and the influence of process variables on the drying kinetics of the granulated material properties obtained. This article lists the most important works published for both the spray drying processing and the drying of individual droplets, as well as studies aimed at modeling the drying kinetics of drops. (Author)

Degradation of the fungicide carbendazim in aqueous solutions with UV/TiO2 process: Optimization, kinetics and toxicity studies

International Nuclear Information System (INIS)

Saien, J.; Khezrianjoo, S.

2008-01-01

An attempt was made to investigate the potential of UV-photocatalytic process in the presence of TiO 2 particles for the degradation of carbendazim (C 9 H 9 N 3 O 2 ), a fungicide with a high worldwide consumption but considered as a 'priority hazard substance' by the Water Framework Directive of the European Commission (WFDEC). A circulating upflow photo-reactor was employed and the influence of catalyst concentration, pH and temperature were investigated. The results showed that degradation of this fungicide can be conducted in the both processes of only UV-irradiation and UV/TiO 2 ; however, the later provides much better results. Accordingly, a degradation of more than 90% of fungicide was achieved by applying the optimal operational conditions of 70 mg L -1 of catalyst, natural pH of 6.73 and ambient temperature of 25 deg. C after 75 min irradiation. Under these mild conditions, the initial rate of degradation can be described well by the Langmuir-Hinshelwood kinetic model. Toxicological assessments on the obtained samples were also performed by measurement of the mycelium growth inhibition of Fusarium oxysporum fungus on PDA medium. The results indicate that the kinetics of degradation and toxicity are in reasonably good agreement mainly after 45 min of irradiation; confirming the effectiveness of photocatalytic process

Kinetics parameters of a slurry remediation process in rotating drum bioreactors

International Nuclear Information System (INIS)

Esquivel-Rios, I.; Rodriguez-Meza, M. A.; Barrera-Cortes, J.

2009-01-01

The knowledge of biotransformation pollution dynamics in any systems is important for design and optimization purposes of biochemical processes involved. this is focus to the determination of kinetics parameters such as the maximum specific growth rate (μMAX), saturation constant (Ks), biomass yield (YX/S; X: biomass, S: substrate) and oxygen consumption (YO 2 /S; O 2 : oxygen). Several approximations, based on Monod equation, have been developed for estimating kinetics parameters in terms of concentration and type of substrate, bioprocess type and microflora available. (Author)

Degradation of the fungicide carbendazim in aqueous solutions with UV/TiO{sub 2} process: Optimization, kinetics and toxicity studies

Energy Technology Data Exchange (ETDEWEB)

Saien, J. [Department of Applied Chemistry, Bu-Ali Sina University, Hamedan 65174 (Iran, Islamic Republic of)], E-mail: saien@basu.ac.ir; Khezrianjoo, S. [Department of Applied Chemistry, Bu-Ali Sina University, Hamedan 65174 (Iran, Islamic Republic of)

2008-09-15

An attempt was made to investigate the potential of UV-photocatalytic process in the presence of TiO{sub 2} particles for the degradation of carbendazim (C{sub 9}H{sub 9}N{sub 3}O{sub 2}), a fungicide with a high worldwide consumption but considered as a 'priority hazard substance' by the Water Framework Directive of the European Commission (WFDEC). A circulating upflow photo-reactor was employed and the influence of catalyst concentration, pH and temperature were investigated. The results showed that degradation of this fungicide can be conducted in the both processes of only UV-irradiation and UV/TiO{sub 2}; however, the later provides much better results. Accordingly, a degradation of more than 90% of fungicide was achieved by applying the optimal operational conditions of 70 mg L{sup -1} of catalyst, natural pH of 6.73 and ambient temperature of 25 deg. C after 75 min irradiation. Under these mild conditions, the initial rate of degradation can be described well by the Langmuir-Hinshelwood kinetic model. Toxicological assessments on the obtained samples were also performed by measurement of the mycelium growth inhibition of Fusarium oxysporum fungus on PDA medium. The results indicate that the kinetics of degradation and toxicity are in reasonably good agreement mainly after 45 min of irradiation; confirming the effectiveness of photocatalytic process.

Process kinetics and digestion efficiency of anaerobic batch fermentation of brewer`s spent grains (BSG)

Energy Technology Data Exchange (ETDEWEB)

Ezeonu, F.C.; Okaka, A.N.C. [Nnamdi Azikiwe University, Awka (Nigeria). Dept. of Applied Biochemistry

1996-12-31

The process kinetics of optimized anaerobic batch digestion of brewer`s spent grains (BSG) reveal that biomethanation is essentially a first order reaction interrupted intermittently by mixed order reactions. An apparent cellulose degradation efficiency of approximately 60% and a lignin degradation efficiency of about 40% was observed in the optimized process. Using the Ken and Hashimoto model, the operational efficiency of the digester was determined to be 26%. (author)

Kinetics based reaction optimization of enzyme catalyzed reduction of formaldehyde to methanol with synchronous cofactor regeneration.

Science.gov (United States)

Marpani, Fauziah; Sárossy, Zsuzsa; Pinelo, Manuel; Meyer, Anne S

2017-12-01

Enzymatic reduction of carbon dioxide (CO 2 ) to methanol (CH 3 OH) can be accomplished using a designed set-up of three oxidoreductases utilizing reduced pyridine nucleotide (NADH) as cofactor for the reducing equivalents electron supply. For this enzyme system to function efficiently a balanced regeneration of the reducing equivalents during reaction is required. Herein, we report the optimization of the enzymatic conversion of formaldehyde (CHOH) to CH 3 OH by alcohol dehydrogenase, the final step of the enzymatic redox reaction of CO 2 to CH 3 OH, with kinetically synchronous enzymatic cofactor regeneration using either glucose dehydrogenase (System I) or xylose dehydrogenase (System II). A mathematical model of the enzyme kinetics was employed to identify the best reaction set-up for attaining optimal cofactor recycling rate and enzyme utilization efficiency. Targeted process optimization experiments were conducted to verify the kinetically modeled results. Repetitive reaction cycles were shown to enhance the yield of CH 3 OH, increase the total turnover number (TTN) and the biocatalytic productivity rate (BPR) value for both system I and II whilst minimizing the exposure of the enzymes to high concentrations of CHOH. System II was found to be superior to System I with a yield of 8 mM CH 3 OH, a TTN of 160 and BPR of 24 μmol CH 3 OH/U · h during 6 hr of reaction. The study demonstrates that an optimal reaction set-up could be designed from rational kinetics modeling to maximize the yield of CH 3 OH, whilst simultaneously optimizing cofactor recycling and enzyme utilization efficiency. © 2017 Wiley Periodicals, Inc.

Process optimization and kinetics of biodiesel production from neem oil using copper doped zinc oxide heterogeneous nanocatalyst.

Science.gov (United States)

Gurunathan, Baskar; Ravi, Aiswarya

2015-08-01

Heterogeneous nanocatalyst has become the choice of researchers for better transesterification of vegetable oils to biodiesel. In the present study, transesterification reaction was optimized and kinetics was studied for biodiesel production from neem oil using CZO nanocatalyst. The highly porous and non-uniform surface of the CZO nanocatalyst was confirmed by AFM analysis, which leads to the aggregation of CZO nanoparticles in the form of multi layered nanostructures. The 97.18% biodiesel yield was obtained in 60min reaction time at 55°C using 10% (w/w) CZO nanocatalyst and 1:10 (v:v) oil:methanol ratio. Biodiesel yield of 73.95% was obtained using recycled nanocatalyst in sixth cycle. The obtained biodiesel was confirmed using GC-MS and (1)H NMR analysis. Reaction kinetic models were tested on biodiesel production, first order kinetic model was found fit with experimental data (R(2)=0.9452). The activation energy of 233.88kJ/mol was required for transesterification of neem oil into biodiesel using CZO nanocatalyst. Copyright © 2015 Elsevier Ltd. All rights reserved.

A new study of the kinetics of curd production in the process of cheese manufacture.

Science.gov (United States)

Muñoz, Susana Vargas; Torres, Maykel González; Guerrero, Francisco Quintanilla; Talavera, Rogelio Rodríguez

2017-11-01

We studied the role played by temperature and rennet concentration in the coagulation process for cheese manufacture and the evaluation of their kinetics. We concluded that temperature is the main factor that determines the kinetics. The rennet concentration was unimportant probably due to the fast action of the enzyme chymosin. The Dynamic light scattering technique allowed measuring the aggregate's size and their formation kinetics. The volume fraction of solids was determined from viscosity measurements, showing profiles that are in agreement with the size profiles. The results indicate that the formation of the aggregates for rennet cheese is strongly dependent on temperature and rennet concentration. The results revealed that at 35·5 °C the volume fraction of solids has the maximum slope, indicating that at this temperature the curd is formed rapidly. The optimal temperature throughout the process was established. Second-order kinetics were obtained for the process. We observed a quadratic dependence between the rennet volume and the volume fraction of solids (curd), thereby indicating that the kinetics of the curd production should be of order two.

Kinetic study of solid-state processes

International Nuclear Information System (INIS)

Malek, Jiri; Mitsuhashi, Takefumi

2003-01-01

A simple method for kinetic analysis of solid-state processes has been developed and the criteria capable of classifying different processes are explored. They provide a useful tool for the determination of the most suitable kinetic model. The method has been applied to the analysis of calorimetric data corresponding to the crystallization processes in amorphous ZrO 2 . It is found that the crystallization kinetics of amorphous powder sample exhibits a complex behavior under non-isothermal conditions. A two-parameter model provides a satisfactory description of the crystallization process for isothermal and non-isothermal conditions. This enables better control of crystallization extent in fine ZrO 2 powders that is important for preparation of zirconia ceramics with defined properties. (author)

The choice of optimal Discrete Interaction Approximation to the kinetic integral for ocean waves

Directory of Open Access Journals (Sweden)

V. G. Polnikov

2003-01-01

Full Text Available A lot of discrete configurations for the four-wave nonlinear interaction processes have been calculated and tested by the method proposed earlier in the frame of the concept of Fast Discrete Interaction Approximation to the Hasselmann's kinetic integral (Polnikov and Farina, 2002. It was found that there are several simple configurations, which are more efficient than the one proposed originally in Hasselmann et al. (1985. Finally, the optimal multiple Discrete Interaction Approximation (DIA to the kinetic integral for deep-water waves was found. Wave spectrum features have been intercompared for a number of different configurations of DIA, applied to a long-time solution of kinetic equation. On the basis of this intercomparison the better efficiency of the configurations proposed was confirmed. Certain recommendations were given for implementation of new approximations to the wave forecast practice.

Neutron inverse kinetics via Gaussian Processes

International Nuclear Information System (INIS)

Picca, Paolo; Furfaro, Roberto

2012-01-01

Highlights: ► A novel technique for the interpretation of experiments in ADS is presented. ► The technique is based on Bayesian regression, implemented via Gaussian Processes. ► GPs overcome the limits of classical methods, based on PK approximation. ► Results compares GPs and ANN performance, underlining similarities and differences. - Abstract: The paper introduces the application of Gaussian Processes (GPs) to determine the subcriticality level in accelerator-driven systems (ADSs) through the interpretation of pulsed experiment data. ADSs have peculiar kinetic properties due to their special core design. For this reason, classical – inversion techniques based on point kinetic (PK) generally fail to generate an accurate estimate of reactor subcriticality. Similarly to Artificial Neural Networks (ANNs), Gaussian Processes can be successfully trained to learn the underlying inverse neutron kinetic model and, as such, they are not limited to the model choice. Importantly, GPs are strongly rooted into the Bayes’ theorem which makes them a powerful tool for statistical inference. Here, GPs have been designed and trained on a set of kinetics models (e.g. point kinetics and multi-point kinetics) for homogeneous and heterogeneous settings. The results presented in the paper show that GPs are very efficient and accurate in predicting the reactivity for ADS-like systems. The variance computed via GPs may provide an indication on how to generate additional data as function of the desired accuracy.

Analyses of Methods and Algorithms for Modelling and Optimization of Biotechnological Processes

Directory of Open Access Journals (Sweden)

Stoyan Stoyanov

2009-08-01

Full Text Available A review of the problems in modeling, optimization and control of biotechnological processes and systems is given in this paper. An analysis of existing and some new practical optimization methods for searching global optimum based on various advanced strategies - heuristic, stochastic, genetic and combined are presented in the paper. Methods based on the sensitivity theory, stochastic and mix strategies for optimization with partial knowledge about kinetic, technical and economic parameters in optimization problems are discussed. Several approaches for the multi-criteria optimization tasks are analyzed. The problems concerning optimal controls of biotechnological systems are also discussed.

Isoconversional kinetics of thermally stimulated processes

CERN Document Server

Vyazovkin, Sergey

2015-01-01

The use of isoconversional kinetic methods for analysis of thermogravimetric and calorimetric data on thermally stimulated processes is quickly growing in popularity. The purpose of this book is to create the first comprehensive resource on the theory and applications of isoconversional methodology. The book introduces the reader to the kinetics of physical and chemical condensed phase processes that occur as a result of changing temperature and discusses how isoconversional analysis can provide important kinetic insights into them. The book will help the readers to develop a better understanding of the methodology, and promote its efficient usage and successful development.

Chemical kinetics and oil shale process design

Energy Technology Data Exchange (ETDEWEB)

Burnham, A.K.

1993-07-01

Oil shale processes are reviewed with the goal of showing how chemical kinetics influences the design and operation of different processes for different types of oil shale. Reaction kinetics are presented for organic pyrolysis, carbon combustion, carbonate decomposition, and sulfur and nitrogen reactions.

Kinetic analysis of overlapping multistep thermal decomposition comprising exothermic and endothermic processes: thermolysis of ammonium dinitramide.

Science.gov (United States)

Muravyev, Nikita V; Koga, Nobuyoshi; Meerov, Dmitry B; Pivkina, Alla N

2017-01-25

This study focused on kinetic modeling of a specific type of multistep heterogeneous reaction comprising exothermic and endothermic reaction steps, as exemplified by the practical kinetic analysis of the experimental kinetic curves for the thermal decomposition of molten ammonium dinitramide (ADN). It is known that the thermal decomposition of ADN occurs as a consecutive two step mass-loss process comprising the decomposition of ADN and subsequent evaporation/decomposition of in situ generated ammonium nitrate. These reaction steps provide exothermic and endothermic contributions, respectively, to the overall thermal effect. The overall reaction process was deconvoluted into two reaction steps using simultaneously recorded thermogravimetry and differential scanning calorimetry (TG-DSC) curves by considering the different physical meanings of the kinetic data derived from TG and DSC by P value analysis. The kinetic data thus separated into exothermic and endothermic reaction steps were kinetically characterized using kinetic computation methods including isoconversional method, combined kinetic analysis, and master plot method. The overall kinetic behavior was reproduced as the sum of the kinetic equations for each reaction step considering the contributions to the rate data derived from TG and DSC. During reproduction of the kinetic behavior, the kinetic parameters and contributions of each reaction step were optimized using kinetic deconvolution analysis. As a result, the thermal decomposition of ADN was successfully modeled as partially overlapping exothermic and endothermic reaction steps. The logic of the kinetic modeling was critically examined, and the practical usefulness of phenomenological modeling for the thermal decomposition of ADN was illustrated to demonstrate the validity of the methodology and its applicability to similar complex reaction processes.

A novel optimization approach to estimating kinetic parameters of the enzymatic hydrolysis of corn stover

Directory of Open Access Journals (Sweden)

Fenglei Qi

2016-01-01

Full Text Available Enzymatic hydrolysis is an integral step in the conversion of lignocellulosic biomass to ethanol. The conversion of cellulose to fermentable sugars in the presence of inhibitors is a complex kinetic problem. In this study, we describe a novel approach to estimating the kinetic parameters underlying this process. This study employs experimental data measuring substrate and enzyme loadings, sugar and acid inhibitions for the production of glucose. Multiple objectives to minimize the difference between model predictions and experimental observations are developed and optimized by adopting multi-objective particle swarm optimization method. Model reliability is assessed by exploring likelihood profile in each parameter space. Compared to previous studies, this approach improved the prediction of sugar yields by reducing the mean squared errors by 34% for glucose and 2.7% for cellobiose, suggesting improved agreement between model predictions and the experimental data. Furthermore, kinetic parameters such as K2IG2, K1IG, K2IG, K1IA, and K3IA are identified as contributors to the model non-identifiability and wide parameter confidence intervals. Model reliability analysis indicates possible ways to reduce model non-identifiability and tighten parameter confidence intervals. These results could help improve the design of lignocellulosic biorefineries by providing higher fidelity predictions of fermentable sugars under inhibitory conditions.

Material Balance And Reaction Kinetics Modeling For Penex Isomerization Process In Daura Refinery

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Hamadi Adel Sharif

2017-01-01

Full Text Available Penex Deisohexanizer isomerization of light straight run naphtha is a significant process for petroleum refining and proved to be effective technology to produce gasoline components with a high octane number. Modeling of the chemical kinetic reactions is an important tool because it is a better tool for optimization of the experimental data into parameters used for industrial reactors. The present study deals on the isomerization process in Daura refinery. Material balance calculations were done mathematically on the unit for the kinetics prediction purpose. A kinetic mathematical model was derived for the prediction rate constants K1 and K2 and activation energy Ea at operating temperatures range 120-180°C. According to the model, the results show that with increasing of temperature leads to increased K1 directly, where the K2 values proportional inversely. The activation energy results show that Ea1(nC6

Safer operating conditions and optimal scaling-up process for cyclohexanone peroxide reaction

International Nuclear Information System (INIS)

Zang, Na; Qian, Xin-Ming; Liu, Zhen-Yi; Shu, Chi-Min

2015-01-01

Highlights: • Thermal hazard of cyclohexanone peroxide reaction was measured by experimental techniques. • Levenberg–Marquardt algorithm was adopted to evaluate kinetic parameters. • Safer operating conditions at laboratory scale were acquired by BDs and TDs. • The verified safer operating conditions were used to obtain the optimal scale-up parameters applied in industrial plants. - Abstract: The cyclohexanone peroxide reaction process, one of the eighteen hazardous chemical processes identified in China, is performed in indirectly cooled semibatch reactors. The peroxide reaction is added to a mixture of hydrogen peroxide and nitric acid, which form heterogeneous liquid–liquid systems. A simple and general procedure for building boundary and temperature diagrams of peroxide process is given here to account for the overall kinetic expressions. Such a procedure has been validated by comparison with experimental data. Thermally safer operating parameters were obtained at laboratory scale, and the scaled-up procedure was performed to give the minimum dosing time in an industrial plant, which is in favor of maximizing industrial reactor productivity. The results are of great significance for governing the peroxide reaction process apart from the thermal runaway region. It also greatly aids in determining optimization on operating parameters in industrial plants.

Two-Step Production of Phenylpyruvic Acid from L-Phenylalanine by Growing and Resting Cells of Engineered Escherichia coli: Process Optimization and Kinetics Modeling.

Directory of Open Access Journals (Sweden)

Ying Hou

Full Text Available Phenylpyruvic acid (PPA is widely used in the pharmaceutical, food, and chemical industries. Here, a two-step bioconversion process, involving growing and resting cells, was established to produce PPA from l-phenylalanine using the engineered Escherichia coli constructed previously. First, the biotransformation conditions for growing cells were optimized (l-phenylalanine concentration 20.0 g·L-1, temperature 35°C and a two-stage temperature control strategy (keep 20°C for 12 h and increase the temperature to 35°C until the end of biotransformation was performed. The biotransformation conditions for resting cells were then optimized in 3-L bioreactor and the optimized conditions were as follows: agitation speed 500 rpm, aeration rate 1.5 vvm, and l-phenylalanine concentration 30 g·L-1. The total maximal production (mass conversion rate reached 29.8 ± 2.1 g·L-1 (99.3% and 75.1 ± 2.5 g·L-1 (93.9% in the flask and 3-L bioreactor, respectively. Finally, a kinetic model was established, and it was revealed that the substrate and product inhibition were the main limiting factors for resting cell biotransformation.

Two-Step Production of Phenylpyruvic Acid from L-Phenylalanine by Growing and Resting Cells of Engineered Escherichia coli: Process Optimization and Kinetics Modeling.

Science.gov (United States)

Hou, Ying; Hossain, Gazi Sakir; Li, Jianghua; Shin, Hyun-Dong; Liu, Long; Du, Guocheng; Chen, Jian

2016-01-01

Phenylpyruvic acid (PPA) is widely used in the pharmaceutical, food, and chemical industries. Here, a two-step bioconversion process, involving growing and resting cells, was established to produce PPA from l-phenylalanine using the engineered Escherichia coli constructed previously. First, the biotransformation conditions for growing cells were optimized (l-phenylalanine concentration 20.0 g·L-1, temperature 35°C) and a two-stage temperature control strategy (keep 20°C for 12 h and increase the temperature to 35°C until the end of biotransformation) was performed. The biotransformation conditions for resting cells were then optimized in 3-L bioreactor and the optimized conditions were as follows: agitation speed 500 rpm, aeration rate 1.5 vvm, and l-phenylalanine concentration 30 g·L-1. The total maximal production (mass conversion rate) reached 29.8 ± 2.1 g·L-1 (99.3%) and 75.1 ± 2.5 g·L-1 (93.9%) in the flask and 3-L bioreactor, respectively. Finally, a kinetic model was established, and it was revealed that the substrate and product inhibition were the main limiting factors for resting cell biotransformation.

Two-Step Production of Phenylpyruvic Acid from L-Phenylalanine by Growing and Resting Cells of Engineered Escherichia coli: Process Optimization and Kinetics Modeling

Science.gov (United States)

Hou, Ying; Hossain, Gazi Sakir; Li, Jianghua; Shin, Hyun-dong; Liu, Long; Du, Guocheng; Chen, Jian

2016-01-01

Phenylpyruvic acid (PPA) is widely used in the pharmaceutical, food, and chemical industries. Here, a two-step bioconversion process, involving growing and resting cells, was established to produce PPA from l-phenylalanine using the engineered Escherichia coli constructed previously. First, the biotransformation conditions for growing cells were optimized (l-phenylalanine concentration 20.0 g·L−1, temperature 35°C) and a two-stage temperature control strategy (keep 20°C for 12 h and increase the temperature to 35°C until the end of biotransformation) was performed. The biotransformation conditions for resting cells were then optimized in 3-L bioreactor and the optimized conditions were as follows: agitation speed 500 rpm, aeration rate 1.5 vvm, and l-phenylalanine concentration 30 g·L−1. The total maximal production (mass conversion rate) reached 29.8 ± 2.1 g·L−1 (99.3%) and 75.1 ± 2.5 g·L−1 (93.9%) in the flask and 3-L bioreactor, respectively. Finally, a kinetic model was established, and it was revealed that the substrate and product inhibition were the main limiting factors for resting cell biotransformation. PMID:27851793

KINETICS PROCESSES OF DEHYDRATION AND HEATING FISH DURING FRYING, DURING SEMI HOT AND HOT SMOKING

Directory of Open Access Journals (Sweden)

V. A. Pokholchenko

2014-01-01

Full Text Available Summary. Calculated methods of graphing of curves for kinetics of dehydration and fish heating during the processes of frying, semi hot smoking and hot smoking have been developed. The offered methods of calculating are based on the basic regularities of heat and mass exchanges of these processes. Based on the research of the regularities of dehydration on the kinetic curves, critical points were identified, that characterize the transition from the moisture removal with lower energy of its bond with material to the removal of one with higher energy bond, also the influence of the product shrinkage on the velocity of the moisture removal. These points are characteristic for the temperature curves as well. It’s suggested for the temperature curve to be replaced by broken line that consists of three straight lines that are crossing in points, corresponded with the critical moistures and critical temperatures. Significant amount of the experimental material of the research of the kinetics of dehydration and fish heating under different modes is shown by authors in the form of generalized dependencies. The method allows modeling the processes of heating and dehydrating of fish and choosing the most rational modes based on the calculated data. The proposed technique makes it possible to construct the curves of the kinetics of heating and dehydration kinetics in processes of roasting, semi hot and hot smoked fish, which allows to optimize a particular process, design more efficient in terms of consumption of raw materials and energy technology, as well as to create better machines or upgrade existing equipment into account the relationship of heat and mass transfer processes.

Multi-objective optimization of two alkali catalyzed processes for biodiesel from waste cooking oil

International Nuclear Information System (INIS)

Patle, Dipesh S.; Sharma, Shivom; Ahmad, Z.; Rangaiah, G.P.

2014-01-01

Highlights: • Biodiesel processes use waste cooking oil and are close to industrial practice. • Detailed constituents of waste cooking oil and detailed kinetics are used. • Two complete processes are optimized for economic and environmental objectives. • Obtained trade-offs provide deeper understanding and alternative optimal solutions. - Abstract: In view of the finite availability and environmental concerns of fossil fuels, biodiesel is one of the promising fuel alternatives. This study considers waste cooking palm oil with 6% free fatty acids (FFA) as feed-stock, which facilitates its better utilization and promotes sustainability. Two biodiesel production processes (both involving esterification catalyzed by sulfuric acid and trans-esterification catalyzed by sodium hydroxide) are compared for economic and environmental objectives. Firstly, these processes are simulated, considering detailed constituents of palm oil and also detailed kinetics for both esterification and trans-esterification, in Aspen Plus simulator. Subsequently, both the processes are optimized considering profit, heat duty and organic waste as objectives, and using an Excel-based multi-objective optimization (EMOO) program for the elitist non-dominated sorting genetic algorithm-II (NSGA-II). The results show that the profit improves with the increase in heat duty, and that the profit increase is accompanied by larger amount of organic waste. Process 1 having three trans-esterification reactors produces significantly lower organic waste (by 32%), requires lower heat duty (by 39%) and slightly more profitable (by 1.6%) compared to Process 2 having a single trans-esterification reactor and also a different separation sequence. Overall, the obtained quantitative trade-offs between objectives enable better decision making about the process design for biodiesel production from waste cooking oil

Kinetic and thermodynamic modelling of TBP synthesis processes

International Nuclear Information System (INIS)

Azzouz, A.; Attou, M.

1989-02-01

The present paper deals with kinetic and thermodynamic modellisation of tributylphosphate (TBP) synthesis processes. Its aim consists in a purely comparative study of two different synthesis ways i.e. direct and indirect estirification of butanol. The methodology involves two steps. The first step consists in approximating curves which describe the process evolution and their dependence on the main parameters. The results gave a kinetic model of the process rate yielding in TBP. Further, on the basis of thermodynamic data concerning the various involved compounds a theoretical model was achieved. The calculations were carried out in Basic language and an interpolation mathematical method was applied to approximate the kinetic curves. The thermodynamic calculations were achieved on the basis of GIBBS' free energy using a VAX type computer and a VT240 terminal. The calculations accuracy was reasonable and within the norms. For each process, the confrontation of both models leads to an appreciable accord. In the two processes, the thermodynamic models were similar although the kinetic equations present different reaction orders. Hence the reaction orders were determined by a mathematical method which conists in searching the minimal difference between an empiric relation and a kinetic model with fixed order. This corresponds in fact in testing the model proposed at various reaction order around the suspected value. The main idea which results from such a work is that this kind of processes is well fitting with the model without taking into account the side chain reactions. The process behaviour is like that of a single reaction having a quasi linear dependence of the rate yielding and the reaction time for both processes

Adsorption behavior of direct red 80 and congo red onto activated carbon/surfactant: Process optimization, kinetics and equilibrium

Science.gov (United States)

Cheng, Zhengjun; Zhang, Lei; Guo, Xiao; Jiang, Xiaohui; Li, Tian

2015-02-01

Adsorptions of congo red and direct red 80 onto activated carbon/surfactant from aqueous solution were optimized. The Box-Behnken design (BBD) has been employed to analyze the effects of concentration of surfactant, temperature, pH, and initial concentration of the dye in the adsorption capacity. Their corresponding experimental data could be evaluated excellently by second order polynomial regression models and the two models were also examined based on the analysis of variance and t test statistics, respectively. The optimum conditions were obtained as follows: Cs = 34.10 μM, T = 50 °C, pH = 3.5, and CCR = 160 mg/L for the congo red system, and Cs = 34.10 μM, T = 50 °C, pH = 6.1, and CDR80 = 110 mg/L for the direct red 80 system. And in these conditions, the measured experimental maximum adsorption capacities for the congo red and direct red 80 removals were 769.48 mg/g and 519.90 mg/g, which were consistent with their corresponding predicted values, with small relative errors of -2.81% and -0.67%, respectively. The adsorption equilibrium and kinetics for the two dye adsorptions onto AC/DDAC were also investigated. The experimental data were fitted by four isotherm models, and Langmuir model presented the best fit. The kinetic studies indicated that the kinetic data followed the pseudo-second-order model.

Fenton and Fenton-like oxidation of pesticide acetamiprid in water samples: kinetic study of the degradation and optimization using response surface methodology.

Science.gov (United States)

Mitsika, Elena E; Christophoridis, Christophoros; Fytianos, Konstantinos

2013-11-01

The aims of this study were (a) to evaluate the degradation of acetamiprid with the use of Fenton reaction, (b) to investigate the effect of different concentrations of H2O2 and Fe(2+), initial pH and various iron salts, on the degradation of acetamiprid and (c) to apply response surface methodology for the evaluation of degradation kinetics. The kinetic study revealed a two-stage process, described by pseudo- first and second order kinetics. Different H2O2:Fe(2+) molar ratios were examined for their effect on acetamiprid degradation kinetics. The ratio of 3 mg L(-1) Fe(2+): 40 mg L(-1) H2O2 was found to completely remove acetamiprid at less than 10 min. Degradation rate was faster at lower pH, with the optimal value at pH 2.9, while Mohr salt appeared to degrade acetamiprid faster. A central composite design was selected in order to observe the effects of Fe(2+) and H2O2 initial concentration on acetamiprid degradation kinetics. A quadratic model fitted the experimental data, with satisfactory regression and fit. The most significant effect on the degradation of acetamiprid, was induced by ferrous iron concentration followed by H2O2. Optimization, aiming to minimize the applied ferrous concentration and the process time, proposed a ratio of 7.76 mg L(-1) Fe(II): 19.78 mg L(-1) H2O2. DOC is reduced much more slowly and requires more than 6h of processing for 50% degradation. The use to zero valent iron, demonstrated fast kinetic rates with acetamiprid degradation occurring in 10 min and effective DOC removal. Copyright © 2013 Elsevier Ltd. All rights reserved.

Kinetic synergistic transitions in the Ostwald ripening processes

Science.gov (United States)

Sachkov, I. N.; Turygina, V. F.; Dolganov, A. N.

2018-01-01

There is proposed approach to mathematical description of the kinetic transitions in Ostwald ripening processes of volatile substance in nonuniformly heated porous materials. It is based upon the finite element method. There are implemented computer software. The main feature of the software is to calculate evaporation and condensation fluxes on the walls of a nonuniformly heated cylindrical capillary. Kinetic transitions are detected for three modes of volatile substances migration which are different by condensation zones location. There are controlling dimensionless parameters of the kinetic transition which are revealed during research. There is phase diagram of the Ostwald ripening process modes realization.

Optimal Bayesian Experimental Design for Combustion Kinetics

KAUST Repository

Huan, Xun

2011-01-04

Experimental diagnostics play an essential role in the development and refinement of chemical kinetic models, whether for the combustion of common complex hydrocarbons or of emerging alternative fuels. Questions of experimental design—e.g., which variables or species to interrogate, at what resolution and under what conditions—are extremely important in this context, particularly when experimental resources are limited. This paper attempts to answer such questions in a rigorous and systematic way. We propose a Bayesian framework for optimal experimental design with nonlinear simulation-based models. While the framework is broadly applicable, we use it to infer rate parameters in a combustion system with detailed kinetics. The framework introduces a utility function that reflects the expected information gain from a particular experiment. Straightforward evaluation (and maximization) of this utility function requires Monte Carlo sampling, which is infeasible with computationally intensive models. Instead, we construct a polynomial surrogate for the dependence of experimental observables on model parameters and design conditions, with the help of dimension-adaptive sparse quadrature. Results demonstrate the efficiency and accuracy of the surrogate, as well as the considerable effectiveness of the experimental design framework in choosing informative experimental conditions.

Incorporation of chemical kinetic models into process control

International Nuclear Information System (INIS)

Herget, C.J.; Frazer, J.W.

1981-01-01

An important consideration in chemical process control is to determine the precise rationing of reactant streams, particularly when a large time delay exists between the mixing of the reactants and the measurement of the product. In this paper, a method is described for incorporating chemical kinetic models into the control strategy in order to achieve optimum operating conditions. The system is first characterized by determining a reaction rate surface as a function of all input reactant concentrations over a feasible range. A nonlinear constrained optimization program is then used to determine the combination of reactants which produces the specified yield at minimum cost. This operating condition is then used to establish the nominal concentrations of the reactants. The actual operation is determined through a feedback control system employing a Smith predictor. The method is demonstrated on a laboratory bench scale enzyme reactor

Partial Overhaul and Initial Parallel Optimization of KINETICS, a Coupled Dynamics and Chemistry Atmosphere Model

Science.gov (United States)

Nguyen, Howard; Willacy, Karen; Allen, Mark

2012-01-01

KINETICS is a coupled dynamics and chemistry atmosphere model that is data intensive and computationally demanding. The potential performance gain from using a supercomputer motivates the adaptation from a serial version to a parallelized one. Although the initial parallelization had been done, bottlenecks caused by an abundance of communication calls between processors led to an unfavorable drop in performance. Before starting on the parallel optimization process, a partial overhaul was required because a large emphasis was placed on streamlining the code for user convenience and revising the program to accommodate the new supercomputers at Caltech and JPL. After the first round of optimizations, the partial runtime was reduced by a factor of 23; however, performance gains are dependent on the size of the data, the number of processors requested, and the computer used.

Process optimization and leaching kinetics of zinc and manganese metals from zinc-carbon and alkaline spent batteries using citric acid reagent

Science.gov (United States)

Yuliusman; Amiliana, R. A.; Wulandari, P. T.; Huda, M.; Kusumadewi, F. A.

2018-03-01

Zn-Carbon and Alkaline spent batteries contains heavy metals, such as zinc and manganese, which can causes environmental problem if not handled properly. Usually the recovery of these metals were done by leaching method using strong acid, but the use of strong acids as leaching reagents can be harmful to the environment. This paper concerns the recovery of Zn and Mn metals from Zn-C and alkaline spent batteries with leaching method using citric acid as the environmental friendly leaching reagent. The leaching conditions using citric acid were optimized and the leaching kinetics of Zn and Mn in citric acid solution was investigated. The leaching of 89.62% Zn and 63.26% Mn was achieved with 1.5 M citric acid, 90°C temperature, and 90 minutes stirring time. Kinetics data for the dissolution of Zn showed the best fit to chemical control shrinking core model, while the diffusion controlled model was suitable for the dissolution of Mn kinetics data. The activation energy of 6.12 and 1.73 kcal/mol was acquired for the leaching of Zn and Mn in the temperature range 60°C-90°C.

An improved hybrid of particle swarm optimization and the gravitational search algorithm to produce a kinetic parameter estimation of aspartate biochemical pathways.

Science.gov (United States)

Ismail, Ahmad Muhaimin; Mohamad, Mohd Saberi; Abdul Majid, Hairudin; Abas, Khairul Hamimah; Deris, Safaai; Zaki, Nazar; Mohd Hashim, Siti Zaiton; Ibrahim, Zuwairie; Remli, Muhammad Akmal

2017-12-01

Mathematical modelling is fundamental to understand the dynamic behavior and regulation of the biochemical metabolisms and pathways that are found in biological systems. Pathways are used to describe complex processes that involve many parameters. It is important to have an accurate and complete set of parameters that describe the characteristics of a given model. However, measuring these parameters is typically difficult and even impossible in some cases. Furthermore, the experimental data are often incomplete and also suffer from experimental noise. These shortcomings make it challenging to identify the best-fit parameters that can represent the actual biological processes involved in biological systems. Computational approaches are required to estimate these parameters. The estimation is converted into multimodal optimization problems that require a global optimization algorithm that can avoid local solutions. These local solutions can lead to a bad fit when calibrating with a model. Although the model itself can potentially match a set of experimental data, a high-performance estimation algorithm is required to improve the quality of the solutions. This paper describes an improved hybrid of particle swarm optimization and the gravitational search algorithm (IPSOGSA) to improve the efficiency of a global optimum (the best set of kinetic parameter values) search. The findings suggest that the proposed algorithm is capable of narrowing down the search space by exploiting the feasible solution areas. Hence, the proposed algorithm is able to achieve a near-optimal set of parameters at a fast convergence speed. The proposed algorithm was tested and evaluated based on two aspartate pathways that were obtained from the BioModels Database. The results show that the proposed algorithm outperformed other standard optimization algorithms in terms of accuracy and near-optimal kinetic parameter estimation. Nevertheless, the proposed algorithm is only expected to work well in

Out-of-order event processing in kinetic data structures

DEFF Research Database (Denmark)

Abam, Mohammad; de Berg, Mark; Agrawal, Pankaj

2011-01-01

’s for the maintenance of several fundamental structures such as kinetic sorting and kinetic tournament trees, which overcome the difficulty by employing a refined event scheduling and processing technique. We prove that the new event scheduling mechanism leads to a KDS that is correct except for finitely many short......We study the problem of designing kinetic data structures (KDS’s for short) when event times cannot be computed exactly and events may be processed in a wrong order. In traditional KDS’s this can lead to major inconsistencies from which the KDS cannot recover. We present more robust KDS...

Optimization of semi-continuous anaerobic digestion of sugarcane straw co-digested with filter cake: Effects of macronutrients supplementation on conversion kinetics.

Science.gov (United States)

Janke, Leandro; Weinrich, Sören; Leite, Athaydes F; Schüch, Andrea; Nikolausz, Marcell; Nelles, Michael; Stinner, Walter

2017-12-01

Anaerobic digestion of sugarcane straw co-digested with sugarcane filter cake was investigated with a special focus on macronutrients supplementation for an optimized conversion process. Experimental data from batch tests and a semi-continuous experiment operated in different supplementation phases were used for modeling the conversion kinetics based on continuous stirred-tank reactors. The semi-continuous experiment showed an overall decrease in the performance along the inoculum washout from the reactors. By supplementing nitrogen alone or in combination to phosphorus and sulfur the specific methane production significantly increased (P0.99), the use of the depicted kinetics did not provide a good estimation for process simulation of the semi-continuous process (in any supplementation phase), possibly due to the different feeding modes and inoculum source, activity and adaptation. Copyright © 2017 Elsevier Ltd. All rights reserved.

Process Analytical Technology for Advanced Process Control in Biologics Manufacturing with the Aid of Macroscopic Kinetic Modeling

Directory of Open Access Journals (Sweden)

Martin Kornecki

2018-03-01

Full Text Available Productivity improvements of mammalian cell culture in the production of recombinant proteins have been made by optimizing cell lines, media, and process operation. This led to enhanced titers and process robustness without increasing the cost of the upstream processing (USP; however, a downstream bottleneck remains. In terms of process control improvement, the process analytical technology (PAT initiative, initiated by the American Food and Drug Administration (FDA, aims to measure, analyze, monitor, and ultimately control all important attributes of a bioprocess. Especially, spectroscopic methods such as Raman or near-infrared spectroscopy enable one to meet these analytical requirements, preferably in-situ. In combination with chemometric techniques like partial least square (PLS or principal component analysis (PCA, it is possible to generate soft sensors, which estimate process variables based on process and measurement models for the enhanced control of bioprocesses. Macroscopic kinetic models can be used to simulate cell metabolism. These models are able to enhance the process understanding by predicting the dynamic of cells during cultivation. In this article, in-situ turbidity (transmission, 880 nm and ex-situ Raman spectroscopy (785 nm measurements are combined with an offline macroscopic Monod kinetic model in order to predict substrate concentrations. Experimental data of Chinese hamster ovary cultivations in bioreactors show a sufficiently linear correlation (R2 ≥ 0.97 between turbidity and total cell concentration. PLS regression of Raman spectra generates a prediction model, which was validated via offline viable cell concentration measurement (RMSE ≤ 13.82, R2 ≥ 0.92. Based on these measurements, the macroscopic Monod model can be used to determine different process attributes, e.g., glucose concentration. In consequence, it is possible to approximately calculate (R2 ≥ 0.96 glucose concentration based on online cell

Process Analytical Technology for Advanced Process Control in Biologics Manufacturing with the Aid of Macroscopic Kinetic Modeling.

Science.gov (United States)

Kornecki, Martin; Strube, Jochen

2018-03-16

Productivity improvements of mammalian cell culture in the production of recombinant proteins have been made by optimizing cell lines, media, and process operation. This led to enhanced titers and process robustness without increasing the cost of the upstream processing (USP); however, a downstream bottleneck remains. In terms of process control improvement, the process analytical technology (PAT) initiative, initiated by the American Food and Drug Administration (FDA), aims to measure, analyze, monitor, and ultimately control all important attributes of a bioprocess. Especially, spectroscopic methods such as Raman or near-infrared spectroscopy enable one to meet these analytical requirements, preferably in-situ. In combination with chemometric techniques like partial least square (PLS) or principal component analysis (PCA), it is possible to generate soft sensors, which estimate process variables based on process and measurement models for the enhanced control of bioprocesses. Macroscopic kinetic models can be used to simulate cell metabolism. These models are able to enhance the process understanding by predicting the dynamic of cells during cultivation. In this article, in-situ turbidity (transmission, 880 nm) and ex-situ Raman spectroscopy (785 nm) measurements are combined with an offline macroscopic Monod kinetic model in order to predict substrate concentrations. Experimental data of Chinese hamster ovary cultivations in bioreactors show a sufficiently linear correlation (R² ≥ 0.97) between turbidity and total cell concentration. PLS regression of Raman spectra generates a prediction model, which was validated via offline viable cell concentration measurement (RMSE ≤ 13.82, R² ≥ 0.92). Based on these measurements, the macroscopic Monod model can be used to determine different process attributes, e.g., glucose concentration. In consequence, it is possible to approximately calculate (R² ≥ 0.96) glucose concentration based on online cell

Optimization strategies based on sequential quadratic programming applied for a fermentation process for butanol production.

Science.gov (United States)

Pinto Mariano, Adriano; Bastos Borba Costa, Caliane; de Franceschi de Angelis, Dejanira; Maugeri Filho, Francisco; Pires Atala, Daniel Ibraim; Wolf Maciel, Maria Regina; Maciel Filho, Rubens

2009-11-01

In this work, the mathematical optimization of a continuous flash fermentation process for the production of biobutanol was studied. The process consists of three interconnected units, as follows: fermentor, cell-retention system (tangential microfiltration), and vacuum flash vessel (responsible for the continuous recovery of butanol from the broth). The objective of the optimization was to maximize butanol productivity for a desired substrate conversion. Two strategies were compared for the optimization of the process. In one of them, the process was represented by a deterministic model with kinetic parameters determined experimentally and, in the other, by a statistical model obtained using the factorial design technique combined with simulation. For both strategies, the problem was written as a nonlinear programming problem and was solved with the sequential quadratic programming technique. The results showed that despite the very similar solutions obtained with both strategies, the problems found with the strategy using the deterministic model, such as lack of convergence and high computational time, make the use of the optimization strategy with the statistical model, which showed to be robust and fast, more suitable for the flash fermentation process, being recommended for real-time applications coupling optimization and control.

Kinetics and mechanism of synthetic CoS oxidation process

Directory of Open Access Journals (Sweden)

Štrbac N.

2006-01-01

Full Text Available The results of investigation of kinetics and mechanism for synthetic a-CoS oxidation process are presented in this paper. Based on experimental data obtained using DTA and XRD analysis and constructed PSD diagrams for Co-S-O system, mechanism of synthetic a-CoS oxidation process is suggested. Characteristic kinetic parameters were obtained for experimental isothermal investigations of desulfurization degree using Sharp method.

Superconductivity optimization and phase formation kinetics study of internal-Sn Nb3Sn superconducting wires

International Nuclear Information System (INIS)

Zhang, Chaowu

2007-07-01

Superconductors Nb 3 Sn wires are one of the most applicable cryogenic superconducting materials and the best choice for high-field magnets exceeding 10 T. One of the most significant utilization is the ITER project which is regarded as the hope of future energy source. The high-Cu composite designs with smaller number of sub-element and non-reactive diffusion barrier, and the RRP (Restacked Rod Process) internal-Sn technology are usually applied for the wire manufacturing. Such designed and processed wires were supplied by MSA/Alstom and WST/NIN in this research. The systematic investigation on internal-Sn superconducting wires includes the optimization of heat treatment (HT) conditions, phase formation and its relation with superconductivity, microstructure analysis, and the phase formation kinetics. Because of the anfractuosity of the configuration design and metallurgical processing, the MF wires are not sufficient for studying a sole factor effect on superconductivity. Therefore, four sets of mono-element (ME) wires with different Sn ratios and different third-element addition were designed and fabricated in order to explore the relationship between phase formation and superconducting performances, particularly the A15 layer growth kinetics. Different characterization technic have been used (magnetization measurements, neutron diffraction and SEM/TEM/EDX analysis). The A15 layer thicknesses of various ME samples were measured and carried out linear and non-linear fits by means of two model equations. The results have clearly demonstrated that the phase formation kinetics of Nb 3 Sn solid-state reaction is in accordance with an n power relation and the n value is increased with the increase of HT temperature and the Sn ratio in the wire composite. (author)

Sorption of water alkalinity and hardness from high-strength wastewater on bifunctional activated carbon: process optimization, kinetics and equilibrium studies.

Science.gov (United States)

Amosa, Mutiu K

2016-08-01

Sorption optimization and mechanism of hardness and alkalinity on bifunctional empty fruit bunch-based powdered activation carbon (PAC) were studied. The PAC possessed both high surface area and ion-exchange properties, and it was utilized in the treatment of biotreated palm oil mill effluent. Batch adsorption experiments designed with Design Expert(®) were conducted in correlating the singular and interactive effects of the three adsorption parameters: PAC dosage, agitation speed and contact time. The sorption trends of the two contaminants were sequentially assessed through a full factorial design with three factor interaction models and a central composite design with polynomial models of quadratic order. Analysis of variance revealed the significant factors on each design response with very high R(2) values indicating good agreement between model and experimental values. The optimum operating conditions of the two contaminants differed due to their different regions of operating interests, thus necessitating the utility of desirability factor to get consolidated optimum operation conditions. The equilibrium data for alkalinity and hardness sorption were better represented by the Langmuir isotherm, while the pseudo-second-order kinetic model described the adsorption rates and behavior better. It was concluded that chemisorption contributed majorly to the adsorption process.

Dynamic PET of human liver inflammation: impact of kinetic modeling with optimization-derived dual-blood input function.

Science.gov (United States)

Wang, Guobao; Corwin, Michael T; Olson, Kristin A; Badawi, Ramsey D; Sarkar, Souvik

2018-05-30

The hallmark of nonalcoholic steatohepatitis is hepatocellular inflammation and injury in the setting of hepatic steatosis. Recent work has indicated that dynamic 18F-FDG PET with kinetic modeling has the potential to assess hepatic inflammation noninvasively, while static FDG-PET did not show a promise. Because the liver has dual blood supplies, kinetic modeling of dynamic liver PET data is challenging in human studies. The objective of this study is to evaluate and identify a dual-input kinetic modeling approach for dynamic FDG-PET of human liver inflammation. Fourteen human patients with nonalcoholic fatty liver disease were included in the study. Each patient underwent one-hour dynamic FDG-PET/CT scan and had liver biopsy within six weeks. Three models were tested for kinetic analysis: traditional two-tissue compartmental model with an image-derived single-blood input function (SBIF), model with population-based dual-blood input function (DBIF), and modified model with optimization-derived DBIF through a joint estimation framework. The three models were compared using Akaike information criterion (AIC), F test and histopathologic inflammation reference. The results showed that the optimization-derived DBIF model improved the fitting of liver time activity curves and achieved lower AIC values and higher F values than the SBIF and population-based DBIF models in all patients. The optimization-derived model significantly increased FDG K1 estimates by 101% and 27% as compared with traditional SBIF and population-based DBIF. K1 by the optimization-derived model was significantly associated with histopathologic grades of liver inflammation while the other two models did not provide a statistical significance. In conclusion, modeling of DBIF is critical for kinetic analysis of dynamic liver FDG-PET data in human studies. The optimization-derived DBIF model is more appropriate than SBIF and population-based DBIF for dynamic FDG-PET of liver inflammation. © 2018

Conversion of Oleum papaveris seminis oil into methyl esters via esterification process: Optimization and kinetic study

Directory of Open Access Journals (Sweden)

Syam, A. M.

2016-03-01

Full Text Available This paper presents an acid pre-treatment process and a kinetic study for the esterification reaction of Oleum papaveris seminis oil with methanol in the presence of amberlite 120 as a solid catalyst to convert the oil into methyl esters. Response surface methodology (RSM was applied to optimize the reaction parameters, i.e. reaction time, percentage of the catalyst and volume ratio of methanol to oil. The results revealed that 0.87% w/w of catalyst concentration and 44.70% v/v of methanol to oil ratio provided final free fatty acid (FFA contents of 0.60% w/w at 102.40 min of reaction time. It proved that the contribution of Amberlite 120 in the esterification of FFA was highly significant. The kinetics of the esterification in Oleum papaveris seminis oil with methanol in the presence of the amberlite 120 catalyst were also investigated to establish the reaction rate constant (k, reaction order, and activation energy. The study was performed under the optimized parameters at three reaction temperatures (50, 55, and 60 ºC. The value of k was in the range of 0.013 to 0.027 min-1. The first-order kinetics’ model was suitable for this irreversible FFA esterification with the activation energy of about 60.9 KJ·mol-1.En este artículo se presenta un proceso de pre-tratamiento con ácido, y un estudio cinético de la reacción de esterificación. Se utiliza Oleum papaveris seminis con metanol en presencia de Amberlite 120 como catalizador sólido para la formación de los ésteres metílicos. Se aplicó una metodología de superficie de respuesta (RSM para optimizar los parámetros de la reacción; es decir, tiempo de reacción, porcentaje de la relación de catalizador y volumen de metanol - aceite. Los resultados mostraron que el 0,87% w/w de la concentración de catalizador y 44,70% v/v de metanol en relación al aceite dan lugar a un contenido final de ácidos grasos libres (FFA de 0,60% w/w en 102,40 min de tiempo de reacción. Se demostr

An optimized chemical kinetic mechanism for HCCI combustion of PRFs using multi-zone model and genetic algorithm

International Nuclear Information System (INIS)

Neshat, Elaheh; Saray, Rahim Khoshbakhti

2015-01-01

Highlights: • A new chemical kinetic mechanism for PRFs HCCI combustion is developed. • New mechanism optimization is performed using genetic algorithm and multi-zone model. • Engine-related combustion and performance parameters are predicted accurately. • Engine unburned HC and CO emissions are predicted by the model properly. - Abstract: Development of comprehensive chemical kinetic mechanisms is required for HCCI combustion and emissions prediction to be used in engine development. The main purpose of this study is development of a new chemical kinetic mechanism for primary reference fuels (PRFs) HCCI combustion, which can be applied to combustion models to predict in-cylinder pressure and exhaust CO and UHC emissions, accurately. Hence, a multi-zone model is developed for HCCI engine simulation. Two semi-detailed chemical kinetic mechanisms those are suitable for premixed combustion are used for n-heptane and iso-octane HCCI combustion simulation. The iso-octane mechanism contains 84 species and 484 reactions and the n-heptane mechanism contains 57 species and 296 reactions. A simple interaction between iso-octane and n-heptane is considered in new mechanism. The multi-zone model is validated using experimental data for pure n-heptane and iso-octane. A new mechanism is prepared by combination of these two mechanisms for n-heptane and iso-octane blended fuel, which includes 101 species and 594 reactions. New mechanism optimization is performed using genetic algorithm and multi-zone model. Mechanism contains low temperature heat release region, which decreases with increasing octane number. The results showed that the optimized chemical kinetic mechanism is capable of predicting engine-related combustion and performance parameters. Also after implementing the optimized mechanism, engine unburned HC and CO emissions predicted by the model are in good agreement with the corresponding experimental data

Process Optimization for Valuable Metal Recovery from Dental Amalgam Residues

Directory of Open Access Journals (Sweden)

C.M. Parra–Mesa

2009-07-01

Full Text Available In this paper, the methodology used for optimizing leaching in a semi pilot plant is presented. This leaching process was applied to recover value metals from dental amalgam residues. 23 factorial design was used to characterize the process during the first stage and in the second one, a central compound rotational design was used for modeling copper percentage dissolved, a function of the nitric acid concentration, leaching time and temperature. This model explained the 81% of the response variability, which is considered satisfactory given the complexity of the process kinetics and, furthermore, it allowed the definition of the operation conditions for better copper recovery, which this was of 99.15%, at a temperature of 55°C, a concentration of 30% by weight and a time of 26 hours.

Biogas Production from Sugarcane Waste: Assessment on Kinetic Challenges for Process Designing

Science.gov (United States)

Janke, Leandro; Leite, Athaydes; Nikolausz, Marcell; Schmidt, Thomas; Liebetrau, Jan; Nelles, Michael; Stinner, Walter

2015-01-01

Biogas production from sugarcane waste has large potential for energy generation, however, to enable the optimization of the anaerobic digestion (AD) process each substrate characteristic should be carefully evaluated. In this study, the kinetic challenges for biogas production from different types of sugarcane waste were assessed. Samples of vinasse, filter cake, bagasse, and straw were analyzed in terms of total and volatile solids, chemical oxygen demand, macronutrients, trace elements, and nutritional value. Biochemical methane potential assays were performed to evaluate the energy potential of the substrates according to different types of sugarcane plants. Methane yields varied considerably (5–181 Nm3·tonFM−1), mainly due to the different substrate characteristics and sugar and/or ethanol production processes. Therefore, for the optimization of AD on a large-scale, continuous stirred-tank reactor with long hydraulic retention times (>35 days) should be used for biogas production from bagasse and straw, coupled with pre-treatment process to enhance the degradation of the fibrous carbohydrates. Biomass immobilization systems are recommended in case vinasse is used as substrate, due to its low solid content, while filter cake could complement the biogas production from vinasse during the sugarcane offseason, providing a higher utilization of the biogas system during the entire year. PMID:26404248

Studies on generalized kinetic model and Pareto optimization of a product-driven self-cycling bioprocess.

Science.gov (United States)

Sun, Kaibiao; Kasperski, Andrzej; Tian, Yuan

2014-10-01

The aim of this study is the optimization of a product-driven self-cycling bioprocess and presentation of a way to determine the best possible decision variables out of a set of alternatives based on the designed model. Initially, a product-driven generalized kinetic model, which allows a flexible choice of the most appropriate kinetics is designed and analysed. The optimization problem is given as the bi-objective one, where maximization of biomass productivity and minimization of unproductive loss of substrate are the objective functions. Then, the Pareto fronts are calculated for exemplary kinetics. It is found that in the designed bioprocess, a decrease of emptying/refilling fraction and an increase of substrate feeding concentration cause an increase of the biomass productivity. An increase of emptying/refilling fraction and a decrease of substrate feeding concentration cause a decrease of unproductive loss of substrate. The preferred solutions are calculated using the minimum distance from an ideal solution method, while giving proposals of their modifications derived from a decision maker's reactions to the generated solutions.

Evaluation of silage-fed biogas process performance using microbiological and kinetic methods

Energy Technology Data Exchange (ETDEWEB)

Jarvis, Aa

1996-10-01

In this study, different kinetic and microbiological methods were used to evaluate the growth and activity of key groups of bacteria degrading ley silage in one-phase and two-phase biogas processes. Emphasis was placed on studying the dynamic behaviour of different trophic groups resulting from the initiation of liquid recirculation in the processes. The microbiological methods included microscopy and most probable number (MPN) counts with different substrates. The kinetic methods included measurements of specific methanogenic activity (SMA) with acetate and H{sub 2}/CO{sub 2} as substrates, batch assays with trace element additions and measurement of conversion rates of mannitol and lactate in the digesters. In general, the initiation of liquid recirculation at first promoted the growth and/or activity of several trophic groups of bacteria, such as butyrate and propionate degraders and acetotrophic and hydrogenotrophic methanogens in the liquefaction/acidogenesis reactors of the two-phase processes. This was probably mainly due to the increased pH. However, after some time of liquid recirculation, an inhibition of some bacterial groups occurred, such as propionate degraders and methanogens in the methanogenic reactors of two-phase processes. This was probably due to increased concentrations of salts and free ammonia. The batch assays proved to be valuable tools in process optimization by the addition of trace elements. Here, the addition of cobalt significantly increased methane production from acetate. In this study, a more comprehensive understanding of the process behaviour in response to the initiation of liquid recirculation was achieved which could not have been obtained by only monitoring routine parameters such as pH, methane production and concentrations of organic acids and salts. 120 refs, 4 figs, 1 tab

Superconductivity optimization and phase formation kinetics study of internal-Sn Nb{sub 3}Sn superconducting wires

Energy Technology Data Exchange (ETDEWEB)

Zhang, Chaowu

2007-07-15

Superconductors Nb{sub 3}Sn wires are one of the most applicable cryogenic superconducting materials and the best choice for high-field magnets exceeding 10 T. One of the most significant utilization is the ITER project which is regarded as the hope of future energy source. The high-Cu composite designs with smaller number of sub-element and non-reactive diffusion barrier, and the RRP (Restacked Rod Process) internal-Sn technology are usually applied for the wire manufacturing. Such designed and processed wires were supplied by MSA/Alstom and WST/NIN in this research. The systematic investigation on internal-Sn superconducting wires includes the optimization of heat treatment (HT) conditions, phase formation and its relation with superconductivity, microstructure analysis, and the phase formation kinetics. Because of the anfractuosity of the configuration design and metallurgical processing, the MF wires are not sufficient for studying a sole factor effect on superconductivity. Therefore, four sets of mono-element (ME) wires with different Sn ratios and different third-element addition were designed and fabricated in order to explore the relationship between phase formation and superconducting performances, particularly the A15 layer growth kinetics. Different characterization technic have been used (magnetization measurements, neutron diffraction and SEM/TEM/EDX analysis). The A15 layer thicknesses of various ME samples were measured and carried out linear and non-linear fits by means of two model equations. The results have clearly demonstrated that the phase formation kinetics of Nb{sub 3}Sn solid-state reaction is in accordance with an n power relation and the n value is increased with the increase of HT temperature and the Sn ratio in the wire composite. (author)

Processes of aggression described by kinetic method

Science.gov (United States)

Aristov, V. V.; Ilyin, O.

2014-12-01

In the last decades many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological and historical processes. In the present paper we suggest a model of the Nazi Germany invasion of Poland, France and USSR based on the kinetic theory. We model this process with the Cauchy boundary problem for the two-element kinetic equations with spatial initial conditions. The solution of the problem is given in the form of traveling wave. The propagation velocity of a frontline depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be expressed in terms of quadratures and elementary functions. Finally it is shown that the frontline velocities are complied with the historical data.

Processes of aggression described by kinetic method

International Nuclear Information System (INIS)

Aristov, V. V.; Ilyin, O.

2014-01-01

In the last decades many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological and historical processes. In the present paper we suggest a model of the Nazi Germany invasion of Poland, France and USSR based on the kinetic theory. We model this process with the Cauchy boundary problem for the two-element kinetic equations with spatial initial conditions. The solution of the problem is given in the form of traveling wave. The propagation velocity of a frontline depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be expressed in terms of quadratures and elementary functions. Finally it is shown that the frontline velocities are complied with the historical data

Processes of aggression described by kinetic method

Energy Technology Data Exchange (ETDEWEB)

Aristov, V. V.; Ilyin, O. [Dorodnicyn Computing Centre of Russian Academy of Sciences, Vavilova str. 40, Moscow, 119333 (Russian Federation)

2014-12-09

In the last decades many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological and historical processes. In the present paper we suggest a model of the Nazi Germany invasion of Poland, France and USSR based on the kinetic theory. We model this process with the Cauchy boundary problem for the two-element kinetic equations with spatial initial conditions. The solution of the problem is given in the form of traveling wave. The propagation velocity of a frontline depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be expressed in terms of quadratures and elementary functions. Finally it is shown that the frontline velocities are complied with the historical data.

Optimizing electrode-attached redox-peptide systems for kinetic characterization of protease action on immobilized substrates. Observation of dissimilar behavior of trypsin and thrombin enzymes.

Science.gov (United States)

Anne, Agnès; Chovin, Arnaud; Demaille, Christophe

2012-06-12

In this work, we experimentally address the issue of optimizing gold electrode attached ferrocene (Fc)-peptide systems for kinetic measurements of protease action. Considering human α-thrombin and bovine trypsin as proteases of interest, we show that the recurring problem of incomplete cleavage of the peptide layer by these enzymes can be solved by using ultraflat template-stripped gold, instead of polished polycrystalline gold, as the Fc-peptide bearing electrode material. We describe how these fragile surfaces can be mounted in a rotating disk configuration so that enzyme mass transfer no longer limits the overall measured cleavage kinetics. Finally, we demonstrate that, once the system has been optimized, in situ real-time cyclic voltammetry monitoring of the protease action can yield high-quality kinetic data, showing no sign of interfering effects. The cleavage progress curves then closely match the Langmuirian variation expected for a kinetically controlled surface process. Global fit of the progress curves yield accurate values of the peptide cleavage rate for both trypsin and thrombin. It is shown that, whereas trypsin action on the surface-attached peptide closely follows Michaelis-Menten kinetics, thrombin displays a specific and unexpected behavior characterized by a nearly enzyme-concentration-independent cleavage rate in the subnanomolar enzyme concentration range. The reason for this behavior has still to be clarified, but its occurrence may limit the sensitivity of thrombin sensors based on Fc-peptide layers.

Enzyme allocation problems in kinetic metabolic networks: Optimal solutions are elementary flux modes

Czech Academy of Sciences Publication Activity Database

Müller, Stefan; Regensburger, G.; Steuer, Ralf

2014-01-01

Roč. 347, APR 2014 (2014), s. 182-190 ISSN 0022-5193 R&D Projects: GA MŠk(CZ) EE2.3.20.0256 Institutional support: RVO:67179843 Keywords : metabolic optimization * enzyme kinetics * oriented matroid * elementary vector * conformal sum Subject RIV: EI - Biotechnology ; Bionics Impact factor: 2.116, year: 2014

Maximizing neotissue growth kinetics in a perfusion bioreactor: An in silico strategy using model reduction and Bayesian optimization.

Science.gov (United States)

Mehrian, Mohammad; Guyot, Yann; Papantoniou, Ioannis; Olofsson, Simon; Sonnaert, Maarten; Misener, Ruth; Geris, Liesbet

2018-03-01

In regenerative medicine, computer models describing bioreactor processes can assist in designing optimal process conditions leading to robust and economically viable products. In this study, we started from a (3D) mechanistic model describing the growth of neotissue, comprised of cells, and extracellular matrix, in a perfusion bioreactor set-up influenced by the scaffold geometry, flow-induced shear stress, and a number of metabolic factors. Subsequently, we applied model reduction by reformulating the problem from a set of partial differential equations into a set of ordinary differential equations. Comparing the reduced model results to the mechanistic model results and to dedicated experimental results assesses the reduction step quality. The obtained homogenized model is 10 5 fold faster than the 3D version, allowing the application of rigorous optimization techniques. Bayesian optimization was applied to find the medium refreshment regime in terms of frequency and percentage of medium replaced that would maximize neotissue growth kinetics during 21 days of culture. The simulation results indicated that maximum neotissue growth will occur for a high frequency and medium replacement percentage, a finding that is corroborated by reports in the literature. This study demonstrates an in silico strategy for bioprocess optimization paying particular attention to the reduction of the associated computational cost. © 2017 Wiley Periodicals, Inc.

Kinetic Simulations of Type II Radio Burst Emission Processes

Science.gov (United States)

Ganse, U.; Spanier, F. A.; Vainio, R. O.

2011-12-01

The fundamental emission process of Type II Radio Bursts has been under discussion for many decades. While analytic deliberations point to three wave interaction as the source for fundamental and harmonic radio emissions, sparse in-situ observational data and high computational demands for kinetic simulations have not allowed for a definite conclusion to be reached. A popular model puts the radio emission into the foreshock region of a coronal mass ejection's shock front, where shock drift acceleration can create eletrcon beam populations in the otherwise quiescent foreshock plasma. Beam-driven instabilities are then assumed to create waves, forming the starting point of three wave interaction processes. Using our kinetic particle-in-cell code, we have studied a number of emission scenarios based on electron beam populations in a CME foreshock, with focus on wave-interaction microphysics on kinetic scales. The self-consistent, fully kinetic simulations with completely physical mass-ratio show fundamental and harmonic emission of transverse electromagnetic waves and allow for detailled statistical analysis of all contributing wavemodes and their couplings.

Reproducing Phenomenology of Peroxidation Kinetics via Model Optimization

Science.gov (United States)

Ruslanov, Anatole D.; Bashylau, Anton V.

2010-06-01

We studied mathematical modeling of lipid peroxidation using a biochemical model system of iron (II)-ascorbate-dependent lipid peroxidation of rat hepatocyte mitochondrial fractions. We found that antioxidants extracted from plants demonstrate a high intensity of peroxidation inhibition. We simplified the system of differential equations that describes the kinetics of the mathematical model to a first order equation, which can be solved analytically. Moreover, we endeavor to algorithmically and heuristically recreate the processes and construct an environment that closely resembles the corresponding natural system. Our results demonstrate that it is possible to theoretically predict both the kinetics of oxidation and the intensity of inhibition without resorting to analytical and biochemical research, which is important for cost-effective discovery and development of medical agents with antioxidant action from the medicinal plants.

Kinetics of pulp mill effluent treatment by ozone-based processes

International Nuclear Information System (INIS)

Ko, Chun-Han; Hsieh, Po-Hung; Chang, Meng-Wen; Chern, Jia-Ming; Chiang, Shih-Min; Tzeng, Chewn-Jeng

2009-01-01

The wastewaters generated from wood pulping and paper production processes are traditionally treated by biological and physicochemical processes. In order to reduce chemical oxygen demand (COD) and color to meet increasingly strict discharge standards, advanced oxidation processes (AOPs) are being adapted as polishing treatment units. Various ozone-based processes were used in this study to treat simulated wastewaters prepared from black liquor from a hardwood Kraft pulp mill in Taiwan. The experimental results showed that the COD and color were primarily removed by direct ozone oxidation and activated carbon adsorption. While the addition of activated carbon could enhance the COD and color removal during ozonation, the addition of hydrogen peroxide improved the color removal only. For the various ozone-based treatment processes, kinetic models were developed to satisfactorily predict the COD and color removal rates. According to the kinetic parameters obtained from the various ozone-based processes, the enhanced COD and color removal of ozonation in the presence of activated carbon was attributed to the regeneration of the activated carbon by ozonation. These kinetic models can be used for reactor design and process design to treat pulping wastewater using ozone-based processes.

A process insight repository supporting process optimization

OpenAIRE

Vetlugin, Andrey

2012-01-01

Existing solutions for analysis and optimization of manufacturing processes, such as online analysis processing or statistical calculations, have shortcomings that limit continuous process improvements. In particular, they lack means of storing and integrating the results of analysis. This makes the valuable information that can be used for process optimizations used only once and then disposed. The goal of the Advanced Manufacturing Analytics (AdMA) research project is to design an integrate...

Thermodynamics, kinetics and process control of nitriding

DEFF Research Database (Denmark)

Mittemeijer, Eric J.; Somers, Marcel A. J.

1999-01-01

As a prerequisite for predictability of properties obtained by a nitriding treatment of iron-based workpieces, the relation between the process parameters and the composition and structure of the surface layer produced must be known. At present (even) the description of thermodynamic equilibrium...... of pure iron-nitrogen phases has not been achieved fully. It has been shown that taking into account ordering of nitrogen in the epsilon and gamma' iron-nitride phases, leads to an improved understanding of the Fe-N phase diagram. Although thermodynamics indicate the state the system strives for......, the nitriding result is determined largely by the kinetics of the process. The nitriding kinetics have been shown to be characterised by the occurring local near-equilibria and stationary states at surfaces and interfaces, and the diffusion coefficient of nitrogen in the various phases, for which new data have...

Process optimization and analysis of product inhibition kinetics of crude glycerol fermentation for 1,3-Dihydroxyacetone production.

Science.gov (United States)

Dikshit, Pritam Kumar; Padhi, Susant Kumar; Moholkar, Vijayanand S

2017-11-01

In present study, statistical optimization of biodiesel-derived crude glycerol fermentation to DHA by immobilized G. oxydans cells over polyurethane foam is reported. Effect of DHA (product) inhibition on crude glycerol fermentation was analyzed using conventional biokinetic models and new model that accounts for both substrate and product inhibition. Optimum values of fermentation parameters were: pH=4.7, temperature=31°C, initial substrate concentration=20g/L. At optimum conditions, DHA yield was 89% (17.83g/L). Effect of product inhibition on fermentation was trivial for DHA concentrations ≤30g/L. At higher concentrations (≥50g/L), kinetics and yield of fermentation showed marked reduction with sharp drop in V max and K S values. Inhibition effect was more pronounced for immobilized cells due to restricted transport of fermentation mixture across polyurethane foam. Retention of fermentation mixture in immobilized matrix resulted in higher localized DHA concentration that possibly enhanced inhibition effect. Copyright © 2017 Elsevier Ltd. All rights reserved.

THE MATHEMATICAL MODEL DEVELOPMENT OF THE ETHYLBENZENE DEHYDROGENATION PROCESS KINETICS IN A TWO-STAGE ADIABATIC CONTINUOUS REACTOR

Directory of Open Access Journals (Sweden)

V. K. Bityukov

2015-01-01

Full Text Available The article is devoted to the mathematical modeling of the kinetics of ethyl benzene dehydrogenation in a two-stage adiabatic reactor with a catalytic bed functioning on continuous technology. The analysis of chemical reactions taking place parallel to the main reaction of styrene formation has been carried out on the basis of which a number of assumptions were made proceeding from which a kinetic scheme describing the mechanism of the chemical reactions during the dehydrogenation process was developed. A mathematical model of the dehydrogenation process, describing the dynamics of chemical reactions taking place in each of the two stages of the reactor block at a constant temperature is developed. The estimation of the rate constants of direct and reverse reactions of each component, formation and exhaustion of the reacted mixture was made. The dynamics of the starting material concentration variations (ethyl benzene batch was obtained as well as styrene formation dynamics and all byproducts of dehydrogenation (benzene, toluene, ethylene, carbon, hydrogen, ect.. The calculated the variations of the component composition of the reaction mixture during its passage through the first and second stages of the reactor showed that the proposed mathematical description adequately reproduces the kinetics of the process under investigation. This demonstrates the advantage of the developed model, as well as loyalty to the values found for the rate constants of reactions, which enable the use of models for calculating the kinetics of ethyl benzene dehydrogenation under nonisothermal mode in order to determine the optimal temperature trajectory of the reactor operation. In the future, it will reduce energy and resource consumption, increase the volume of produced styrene and improve the economic indexes of the process.

Sensory Agreement Guides Kinetic Energy Optimization of Arm Movements during Object Manipulation.

Directory of Open Access Journals (Sweden)

Ali Farshchiansadegh

2016-04-01

Full Text Available The laws of physics establish the energetic efficiency of our movements. In some cases, like locomotion, the mechanics of the body dominate in determining the energetically optimal course of action. In other tasks, such as manipulation, energetic costs depend critically upon the variable properties of objects in the environment. Can the brain identify and follow energy-optimal motions when these motions require moving along unfamiliar trajectories? What feedback information is required for such optimal behavior to occur? To answer these questions, we asked participants to move their dominant hand between different positions while holding a virtual mechanical system with complex dynamics (a planar double pendulum. In this task, trajectories of minimum kinetic energy were along curvilinear paths. Our findings demonstrate that participants were capable of finding the energy-optimal paths, but only when provided with veridical visual and haptic information pertaining to the object, lacking which the trajectories were executed along rectilinear paths.

Dynamic Optimization of UV Flash Processes

DEFF Research Database (Denmark)

Ritschel, Tobias Kasper Skovborg; Capolei, Andrea; Jørgensen, John Bagterp

2017-01-01

UV ash processes, also referred to as isoenergetic-isochoric ash processes, occur for dynamic simulation and optimization of vapor-liquid equilibrium processes. Dynamic optimization and nonlinear model predictive control of distillation columns, certain two-phase ow problems, as well as oil reser...... that the optimization solver, the compiler, and high-performance linear algebra software are all important for e_cient dynamic optimization of UV ash processes....

Kinetics and thermodynamics of living copolymerization processes.

Science.gov (United States)

Gaspard, Pierre

2016-11-13

Theoretical advances are reported on the kinetics and thermodynamics of free and template-directed living copolymerizations. Until recently, the kinetic theory of these processes had only been established in the fully irreversible regime, in which the attachment rates are only considered. However, the entropy production is infinite in this regime and the approach to thermodynamic equilibrium cannot be investigated. For this purpose, the detachment rates should also be included. Inspite of this complication, the kinetics can be exactly solved in the regimes of steady growth and depolymerization. In this way, analytical expressions are obtained for the mean growth velocity, the statistical properties of the copolymer sequences, as well as the thermodynamic entropy production. The results apply to DNA replication, transcription and translation, allowing us to understand important aspects of molecular evolution.This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

Optimization of a low-cost hyperosmotic medium and establishing the fermentation kinetics of erythritol production by Yarrowia lipolytica from crude glycerol.

Science.gov (United States)

Yang, Li-Bo; Zhan, Xiao-Bei; Zhu, Li; Gao, Min-Jie; Lin, Chi-Chung

2016-05-18

The production of erythritol by Yarrowia lipolytica from low-cost substitutable substrates for high yield was investigated. Crude glycerol, urea, and NaCl related to osmotic pressure were the most significant factors affecting erythritol production. An artificial neural network model and genetic algorithm were used to search the optimal composition of the significant factors and locate the resulting erythritol yield. Medium with 232.39 g/L crude glycerol, 1.57 g/L urea, and 31.03 g/L NaCl led to predictive maximum erythritol concentration of 110.7 g/L. The erythritol concentration improved from 50.4 g/L to 109.2 g/L with the optimized medium, which was reproducible. Erythritol fermentation kinetics were investigated in a batch system. Multistep fermentation kinetic models with hyperosmotic inhibitory effects were developed. The resulting mathematical equations provided a good description of temporal variations such as microbial growth (X), substrate consumption (S), and product formation (P) in erythritol fermentation. The accordingly derived model is the first reported model for fermentative erythritol production from glycerol, providing useful information to optimize the growth of Y. lipolytica and contributing visual description for the erythritol fermentation process under high osmotic pressure, as well as improvement of productivity and efficiency.

Thermodynamics and kinetics of vesicles formation processes.

Science.gov (United States)

Guida, Vincenzo

2010-12-15

Vesicles are hollow aggregates, composed of bilayers of amphiphilic molecules, dispersed into and filled with a liquid solvent. These aggregates can be formed either as equilibrium or as out of equilibrium meta-stable structures and they exhibit a rich variety of different morphologies. The surprising richness of structures, the vast range of industrial applications and the presence of vesicles in a number of biological systems have attracted the interest of numerous researchers and scientists. In this article, we review both the thermodynamics and the kinetics aspects of the phenomena of formation of vesicles. We start presenting the thermodynamics of bilayer membranes formation and deformation, with the aim of deriving the conditions for the existence of equilibrium vesicles. Specifically, we use the results from continuum thermodynamics to discuss the possibility of formation of stable equilibrium vesicles, from both mixed amphiphiles and single component systems. We also link the bilayer membrane properties to the molecular structure of the starting amphiphiles. In the second part of this article, we focus on the dynamics and kinetics of vesiculation. We review the process of vesicles formation both from planar lamellar phase under shear and from isotropic micelles. In order to clarify the physical mechanisms of vesicles formation, we continuously draw a parallel between emulsification and vesiculation processes. Specifically, we compare the experimental results, the driving forces and the relative scaling laws identified for the two processes. Describing the dynamics of vesicles formation, we also discuss why non equilibrium vesicles can be formed by kinetics control and why they are meta-stable. Understanding how to control the properties, the stability and the formation process of vesicles is of fundamental importance for a vast number of industrial applications. Copyright © 2009. Published by Elsevier B.V.

Thermodynamic-state and kinetic-process dependent dual ferromagnetic states in high-Si content FeMn(PSi) alloys

International Nuclear Information System (INIS)

Li, Guijiang; Eriksson, Olle; Johansson, Börje; Vitos, Levente

2015-01-01

We have found that thermodynamic state and kinetic process co-determine the dual ferromagnetic (FM) orders in high-Si content FeMnP 1−x Si x (0.25 < x < 0.5). Alloys undergoing high temperature annealing and quenching process prefer a high magnetic moment FM state in a chemically partial disordered structure with low c/a ratio. This mechanism is suggested to be responsible for the often discussed virgin effect as well. A chemically ordered structure obtained by a slow cooling process from a relatively low annealing temperature and the increase in Si content stabilize a metastable lattice with high c/a ratio and FM order with low magnetic moment. The non-simultaneity of the magnetic and structural transitions can be responsible for the occurrence of FM state in the high c/a range. Thus, a c/a ratio that changes from high to low is physically plausible to stabilize the metastable FM order at low temperature. Our theoretical observations indicate that suitable thermodynamic state and kinetic diffusion process is crucial for optimizing magnetocaloric properties and exploring feasible magnetocaloric materials

Optimization of A(2)O BNR processes using ASM and EAWAG Bio-P models: model performance.

Science.gov (United States)

El Shorbagy, Walid E; Radif, Nawras N; Droste, Ronald L

2013-12-01

This paper presents the performance of an optimization model for a biological nutrient removal (BNR) system using the anaerobic-anoxic-oxic (A(2)O) process. The formulated model simulates removal of organics, nitrogen, and phosphorus using a reduced International Water Association (IWA) Activated Sludge Model #3 (ASM3) model and a Swiss Federal Institute for Environmental Science and Technology (EAWAG) Bio-P module. Optimal sizing is attained considering capital and operational costs. Process performance is evaluated against the effect of influent conditions, effluent limits, and selected parameters of various optimal solutions with the following results: an increase of influent temperature from 10 degrees C to 25 degrees C decreases the annual cost by about 8.5%, an increase of influent flow from 500 to 2500 m(3)/h triples the annual cost, the A(2)O BNR system is more sensitive to variations in influent ammonia than phosphorus concentration and the maximum growth rate of autotrophic biomass was the most sensitive kinetic parameter in the optimization model.

A Study of the Optimal Model of the Flotation Kinetics of Copper Slag from Copper Mine BOR

Science.gov (United States)

Stanojlović, Rodoljub D.; Sokolović, Jovica M.

2014-10-01

In this study the effect of mixtures of copper slag and flotation tailings from copper mine Bor, Serbia on the flotation results of copper recovery and flotation kinetics parameters in a batch flotation cell has been investigated. By simultaneous adding old flotation tailings in the ball mill at the rate of 9%, it is possible to increase copper recovery for about 20%. These results are compared with obtained copper recovery of pure copper slag. The results of batch flotation test were fitted by MatLab software for modeling the first-order flotation kinetics in order to determine kinetics parameters and define an optimal model of the flotation kinetics. Six kinetic models are tested on the batch flotation copper recovery against flotation time. All models showed good correlation, however the modified Kelsall model provided the best fit.

Anaerobic digestion of buffalo dung: simulation of process kinetics

International Nuclear Information System (INIS)

Sahito, A.R.

2015-01-01

Assessment of kinetic of AD (Anaerobic Digestion) is a beneficial practice to forecast the performance of the process. It is helpful in the design of AD vessels, substrate feeding and digestate exit systems. The aim of this work was to assess the kinetics of anaerobically digested buffalo dung at different quantities of water added. It comprises the assessment of the specific methane production on the basis of VS (Volatile Solids) added in each reactor by using three first order models, i.e. the modified Gompertz model, the Cone model and the Exponential Curve Factor model. The analysis was tested by using the three statistical parameters, i.e. the coefficient of multiple determinations, the standard deviation of residuals and the Akaike's Information Criteria. The result reveals that the Exponential Curve Factor model was the best model that described the experimental data well. Moreover, there was not a direct or indirect relation between the kinetic coefficients of the AD process with the varying total or volatile solid content. (author)

Kinetics of fragmentation-annihilation processes

OpenAIRE

Filipe, JAN; Rodgers, GJ

1996-01-01

We investigate the kinetics of systems in which particles of one species undergo binary fragmentation and pair annihilation. In the latter, nonlinear process, fragments react at collision to produce an inert species, causing loss of mass. We analyze these systems in the reaction-limited regime by solving a continuous model within the mean-field approximation. The rate of fragmentation for a particle of mass x to break into fragments of masses y and x-y has the form x(lambda-1) (lambda > 0), a...

Medium Optimization and Fermentation Kinetics for κ-Carrageenase Production by Thalassospira sp. Fjfst-332

Directory of Open Access Journals (Sweden)

Juanjuan Guo

2016-11-01

Full Text Available Effective degradation of κ-carrageenan by isolated Thalassospira sp. fjfst-332 is reported for the first time in this paper. It was identified by 16S rDNA sequencing and morphological observation using Transmission Electron Microscopy (TEM. Based on a Plackett–Burman design for significant variables, Box–Behnken experimental design and response surface methodology were used to optimize the culture conditions. Through statistical optimization, the optimum medium components were determined as follows: 2.0 g/L κ-carrageenan, 1.0 g/L yeast extract, 1.0 g/L FOS, 20.0 g/L NaCl, 2.0 g/L NaNO3, 0.5 g/L MgSO4·7H2O, 0.1 g/L K2HPO4, and 0.1 g/L CaCl2. The highest activity exhibited by Thalassospira sp. fjfst-332 was 267 U/mL, which makes it the most vigorous wild bacterium for κ-carrageenan production. In order to guide scaled-up production, two empirical models—the logistic equation and Luedeking–Piretequation—were proposed to predict the strain growth and enzyme production, respectively. Furthermore, we report the fermentation kinetics and every empirical equation of the coefficients (α, β, X0, Xm and μm for the two models, which could be used to design and optimize industrial processes.

Honing process optimization algorithms

Science.gov (United States)

Kadyrov, Ramil R.; Charikov, Pavel N.; Pryanichnikova, Valeria V.

2018-03-01

This article considers the relevance of honing processes for creating high-quality mechanical engineering products. The features of the honing process are revealed and such important concepts as the task for optimization of honing operations, the optimal structure of the honing working cycles, stepped and stepless honing cycles, simulation of processing and its purpose are emphasized. It is noted that the reliability of the mathematical model determines the quality parameters of the honing process control. An algorithm for continuous control of the honing process is proposed. The process model reliably describes the machining of a workpiece in a sufficiently wide area and can be used to operate the CNC machine CC743.

Study on fermentation kinetics and extraction process of rhamnolipid production by papermaking wastewater

Science.gov (United States)

Yu, Keer

2018-01-01

Paper mill wastewater (PMW) is the outlet water generated during pulp and papermaking process in the paper industry. Fermentation by wastewater can lower the cost of production as well as alleviate the pressure of wastewater treatment. Rhamnolipids find broad placations as natural surfactants. This paper studied the rhamnolipids fermentation by employing Pseudomonas aeruginosa isolated by the laboratory, and determined to use wastewater which filtered by medium speed filter paper and strain Z2, the culture conditions were optimized, based on the flask shaking fermentation. On the basis of 5L tank fermentation, batch fermentation was carried out, the yield of fermentation reached 7.067g/L and the fermentation kinetics model of cell growth, product formation and substrate consumption was established by using origin software, and the fermentation process could be simulated well. And studied on the extraction process of rhamnolipids, through fermentation dynamic equation analysis can predict the in fill material yield can be further improved. Research on the extraction process of rhamnolipid simplifies the operation of extraction, and lays the foundation for the industrial extraction.

Optimal operation of batch membrane processes

CERN Document Server

Paulen, Radoslav

2016-01-01

This study concentrates on a general optimization of a particular class of membrane separation processes: those involving batch diafiltration. Existing practices are explained and operational improvements based on optimal control theory are suggested. The first part of the book introduces the theory of membrane processes, optimal control and dynamic optimization. Separation problems are defined and mathematical models of batch membrane processes derived. The control theory focuses on problems of dynamic optimization from a chemical-engineering point of view. Analytical and numerical methods that can be exploited to treat problems of optimal control for membrane processes are described. The second part of the text builds on this theoretical basis to establish solutions for membrane models of increasing complexity. Each chapter starts with a derivation of optimal operation and continues with case studies exemplifying various aspects of the control problems under consideration. The authors work their way from th...

Mechanistic and kinetic aspects of microbial inactivation in food irradiation processes

International Nuclear Information System (INIS)

Tukenmez, I.

2004-01-01

Full text: A proper reaction mechanism was searched by analyzing the inactivation processes of microorganisms during food irradiation by ionizing radiation. By employing transition-state theory, it was assumed that the overall inactivation process involves a reversible sub-lethal stress and repair reactions to form reversibly injured cell or sensitized cell, which then undergoes irreversible injury leading to dead cell. A shoulder in low dose range in survival kinetics was associated with the repair process. Depending on the postulated mechanism, kinetic model equations were derived. The kinetics of cell inactivation by irradiation was expressed as depending on irradiation dose. By using experimental data in the developed model the inactivation parameters including threshold dose, radiation yield, decimal reduction dose and minimum sterilization dose were evaluated and microbial inactivation by irradiation was simulated by using the numerical values of the parameters. Developed model and model parameters may be used for the process control and the assessment of product quality in radiation preservation of food

New Methods for Processing and Quantifying VO2 Kinetics to Steady State: VO2 Onset Kinetics

Directory of Open Access Journals (Sweden)

Craig R. McNulty

2017-09-01

Full Text Available Current methods of oxygen uptake (VO2 kinetics data handling may be too simplistic for the complex physiology involved in the underlying physiological processes. Therefore, the aim of this study was to quantify the VO2 kinetics to steady state across the full range of sub-ventilatory threshold work rates, with a particular focus on the VO2 onset kinetics. Ten healthy, moderately trained males participated in five bouts of cycling. Each bout involved 10 min at a percentage of the subject's ventilation threshold (30, 45, 60, 75, 90% from unloaded cycling. The VO2 kinetics was quantified using the conventional mono-exponential time constant (tau, τ, as well as the new methods for VO2 onset kinetics. Compared to linear modeling, non-linear modeling caused a deterioration of goodness of fit (main effect, p < 0.001 across all exercise intensities. Remainder kinetics were also improved using a modified application of the mono-exponential model (main effect, p < 0.001. Interestingly, the slope from the linear regression of the onset kinetics data is similar across all subjects and absolute exercise intensities, and thereby independent of subject fitness and τ. This could indicate that there are no functional limitations between subjects during this onset phase, with limitations occurring for the latter transition to steady state. Finally, the continuing use of mono-exponential modeling could mask important underlying physiology of more instantaneous VO2 responses to steady state. Consequently, further research should be conducted on this new approach to VO2 onset kinetics.

Process optimization for the application of carbon from plantain peels in dye abstraction

Directory of Open Access Journals (Sweden)

E. Inam

2017-01-01

Full Text Available Activated carbon obtained from plantain peels was applied to the optimization of the adsorption process parameters for abstraction of colour from simulated dye effluent. The activated carbon was prepared and characterized using nitrogen adsorption, X-ray diffractometry (XRD and Fourier transform infrared spectroscopy (FTIR. Equilibrium isotherms were modelled using the Langmuir, Freundlich, Dubinin–Radushkevich and Temkin models; the Temkin and Dubinin–Radushkevich models provided the best fit for the sorption process, with a correlation coefficient greater than 0.95. The D–R model suggested a chemical process. The pseudo second-order kinetic model agreed well for fitting experimental data with the calculated adsorption capacity, qe, (46.5 mg/g, which was reasonably close to the experimental value (47.3 mg/g. Optimization of the process parameters was achieved using response surface methodology (RSM – Box–Behnken design, where factors considered are represented on three levels: (−1, (0 and (+1 for high, mean and low levels, respectively. ANOVA fits a quadratic model with prob > F less than 0.05 (<0.0001 at 95% confidence level. From this modelling, significant factors for dye removal have been identified.

Optimization of induction, subculture conditions, and growth kinetics of Angelica sinensis (Oliv.) Diels callus.

Science.gov (United States)

Huang, Bing; Han, Lijuan; Li, Shaomei; Yan, Chunyan

2015-01-01

Angelica sinensis (Oliv.) Diels is an important traditional Chinese medicine, and the medicinal position is its root. This perennial herb grows vigorously only in specific areas and the environment. Tissue culture induction of callus and plant regeneration is an important and effective way to obtain large scale cultures of A. sinensis. The objective was to optimize the inductive, subculture conditions, and growth kinetics of A. sinensis. Tissue culture conditions for A. sinensis were optimized using leaves and petioles (types I and II) as explants source. Murashige and Skoog (MS) and H media supplemented with 30 g/L sucrose, 7.5 g/L agar, and varying concentrations of plant growth regulators were used for callus induction. In addition, four different basal media supplemented with 1.0 mg/L 2,4-dichlorophenoxy acetic acid (2,4-D), 0.2 mg/L 6-benzyladenine (BA) and 30 g/L sucrose were optimized for callus subculture. Finally, growth kinetics of A. sinensis cultured on different subculture media was investigated based on callus properties, including fresh weight, dry weight, medium pH, callus relative fresh weight growth, callus relative growth rate (CRGR), and sucrose content. MS medium supplemented with 5 mg/L α-naphthaleneacetic acid, 0.5 mg/L BA, 0.7 mg/L 2,4-D, 30 g/L sucrose and 7.5 g/L agar resulted in optimal callus induction in A. sinensis while petiole I was found as the best plant organ for callus induction. The B5 medium supplemented with 1.0 mg/L 2,4-D, 0.2 mg/L BA and 30 g/L sucrose displayed the best results in A. sinensis callus subculture assays. The optimized conditions could be one of the most potent methods for large-scale tissue culture of A. sinensis.

Screening, optimization and kinetics of Jatropha curcas oil transesterification with heterogeneous catalysts

Energy Technology Data Exchange (ETDEWEB)

Zanette, Andreia F.; Barella, Rodrigo A.; Silva, Edson A. [Department of Chemical Engineering, Universidade Estadual do Oeste do Parana, Toledo (Brazil); Pergher, Sibele B.C.; Treichel, Helen; Oliveira, Debora; Mazutti, Marcio A.; Oliveira, J. Vladimir [Department of Food Engineering, URI, Campus de Erechim, CEP 99700-000, Erechim (Brazil)

2011-02-15

This work investigates the production of fatty acid methyl esters (FAME) from Jatropha curcas oil using a variety of heterogeneous catalysts: resins, zeolites, clays, hydrotalcites, aluminas and niobium oxide. For this purpose, a catalyst screening was first conducted in a batch reactor at the following operating conditions: oil to methanol molar ratio of 1:9, 6 h of reaction, 5 wt% catalyst, at 333 and 393 K. From the screening step, KSF clay and Amberlyst 15 catalysts were selected to carry out a 2{sup 3} full factorial central composite rotatable design so as to elucidate the effects of process variables on FAME yield. The optimum reaction conditions for both catalysts were found to be oil to methanol molar ratio of 1:12, 5 wt% of catalyst, 433 K and 6 h of reaction with a FAME yield of about 70 wt%. A kinetic study was then experimentally performed and a semi-empirical model was built to represent the experimental data. Finally, catalyst re-utilization in five successive batch experiments was evaluated at the optimized conditions. (author)

The unified description of kinetic and hydrodynamic processes in gases and plasmas

International Nuclear Information System (INIS)

Klimontovich, Yu.L.

1992-01-01

The unified description of kinetic and hydrodynamic processes in gases and plasmas for all values of the Knudsen number is proposed. The generalized kinetic equation consists of the additional dissipative term and is defined by the diffusion of the distribution function in the coordinate space. This equation is used for the description of nonequilibrium processes in passive and active media. (orig.)

Optimizing supercritical antisolvent process parameters to minimize the particle size of paracetamol nanoencapsulated in L-polylactide

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Kalani M

2011-05-01

Full Text Available Mahshid Kalani, Robiah Yunus, Norhafizah AbdullahChemical and Environmental Engineering, Faculty of Engineering, University Putra Malaysia, Selangor Darul Ehsan, MalaysiaBackground: The aim of this study was to optimize the different process parameters including pressure, temperature, and polymer concentration, to produce fine small spherical particles with a narrow particle size distribution using a supercritical antisolvent method for drug encapsulation. The interaction between different process parameters was also investigated.Methods and results: The optimized process parameters resulted in production of nanoencapsulated paracetamol in L-polylactide with a mean diameter of approximately 300 nm at 120 bar, 30°C, and a polymer concentration of 16 ppm. Thermogravimetric analysis illustrated the thermal characteristics of the nanoparticles. The high electrical charge on the surface of the nanoparticles caused the particles to repel each other, with the high negative zeta potential preventing flocculation.Conclusion: Our results illustrate the effect of different process parameters on particle size and morphology, and validate results obtained via RSM statistical software. Furthermore, the in vitro drug-release profile is consistent with a Korsmeyer–Peppas kinetic model.Keywords: supercritical, antisolvent, encapsulation, nanoparticles, biodegradable polymer, optimization, drug delivery

Optimizing towing processes at airports

OpenAIRE

Du, Jia Yan

2015-01-01

This work addresses the optimization of push-back and towing processes at airports, as an important part of the turnaround process. A vehicle routing based scheduling model is introduced to find a cost optimal assignment of jobs to towing tractors in daily operations. A second model derives an investment strategy to optimize tractor fleet size and mix in the long-run. Column generation heuristics are proposed as solution procedures. The thesis concludes with a case study of a major European ...

Performance of SBR for the treatment of textile dye wastewater: Optimization and kinetic studies

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S. Sathian

2014-06-01

Full Text Available In this work, sequential batch reactor (SBR was employed for the treatment of textile dye wastewater. The performance of four white rot fungi (WRF viz. Coriolus versicolor, Pleurotus floridanus, Ganoderma lucidum and Trametes pubescens was evaluated in pure and mixed combinations in terms of decolorization. From the results it was found that the combination of Pleurotus floridanus, Ganoderma lucidum and Trametes pubescens was best and they were used in the SBR. The process parameters like air flow rate, sludge retention time (SRT and cycle period were optimized using response surface methodology (RSM. At these optimized conditions, treatment of textile dye wastewater was carried out at various initial dye wastewater concentration and hydraulic retention time. The performance of SBR was analyzed in terms of decolorization, COD reduction and sludge volume index (SVI. From the results it was found that a maximum decolorization and COD reduction of 71.3% and 79.4%, respectively, was achieved in the SBR at an organic loading rate of 0.165 KgCOD/m3 d. The sludge volume index (SVI was found to be low in the range of 90–103 mL/g. The kinetic study was carried out using a first order based model and the degradation follows the first order system.

A Study on the Kinetic Characteristics of Transmutation Process Reactor

Energy Technology Data Exchange (ETDEWEB)

Chung, Chang Hyun; You, Young Woo; Cho, Jae seon; Huh, Chang Wook; Kim, Doh Hyung [Seoul National University, Seoul (Korea, Republic of)

1997-07-01

The purpose of this study is to examine the transient heat transfer characteristics of liquid mental as the coolant used in accelerator-driven transmutation process reactor which is related the disposal of high-level radioactive nuclide. At current stage, the accelerator-driven transmutation process is investigated as the most appropriate method among many transmutation process methods. In this study, previous research works are investigated especially about the thermal hydraulics and kinetic behavior of coolant material including heat transfer of coolant in transmutation process reactor. A study on the heat transfer characteristics of liquid metal is performed based on the thermal hydraulic kinetic characteristics of liquid metal reactor which uses liquid metal coolant. Based on this study, the most appropriate material for the coolant of transmutation reactor will be recommended. 53 refs., 15 tabs., 33 figs. (author)

Chemical kinetics, thermodynamics and the interpretation of in vivo processes - Part I

International Nuclear Information System (INIS)

Ferreira, R.

1976-01-01

A brief review of thermodynamic and kinetic concepts, the relationships between thermodynamic and kinetic information and the limitations of these concepts when confronted with the problems of biochemical processes and biological evaluation at the molecular level are presented [pt

Degradation kinetics of seven organophosphorus pesticides in milk during yoghurt processing

Directory of Open Access Journals (Sweden)

LI-YING BO

2011-03-01

Full Text Available Bovine milk spiked with seven organophosphorus pesticides, i.e., dimethoate, fenthion, malathion, methyl parathion, monocrotophos, phorate and trichlorphon, was fermented at 42 °C with commercial directed vat set (DVS starters to investigate the degradation kinetics of the pesticides during yoghurt processing. The spiked pesticides were extracted from the prepared samples with an organic solvent and analyzed by gas chromatography after purification. Based on published results that the degradation kinetics of pesticides is first order, the rate constant of degradation and the half live period of the pesticides were calculated. The results indicated that degradation of the pesticides in milk during yoghurt processing were enhanced by one or both starters, except for malathion, and the two commercial DVS starters had different influences on the degradation kinetics of the pesticides.

Kinetics and efficiency of the hydrated electron-induced dehalogenation by the sulfite/UV process.

Science.gov (United States)

Li, Xuchun; Fang, Jingyun; Liu, Guifang; Zhang, Shujuan; Pan, Bingcai; Ma, Jun

2014-10-01

Hydrated electron (e(aq)(-)), which is listed among the most reactive reducing species, has great potential for removal and detoxification of recalcitrant contaminants. Here we provided quantitative insight into the availability and conversion of e(aq)(-) in a newly developed sulfite/UV process. Using monochloroacetic acid as a simple e(aq)(-)-probe, the e(aq)(-)-induced dehalogenation kinetics in synthetic and surface water was well predicted by the developed models. The models interpreted the complex roles of pH and S(IV), and also revealed the positive effects of UV intensity and temperature quantitatively. Impacts of humic acid, ferrous ion, carbonate/bicarbonate, and surface water matrix were also examined. Despite the retardation of dehalogenation by electron scavengers, the process was effective even in surface water. Efficiency of the process was discussed, and the optimization approaches were proposed. This study is believed to better understand the e(aq)(-)-induced dehalogenation by the sulfite/UV process in a quantitative manner, which is very important for its potential application in water treatment. Copyright © 2014 Elsevier Ltd. All rights reserved.

Analysis of Optimal Process Flow Diagrams of Light Naphtha Isomerization Process by Mathematic Modelling Method

OpenAIRE

Chuzlov, Vyacheslav Alekseevich; Molotov, Konstantin

2016-01-01

An approach to simulation of hydrocarbons refining processes catalytic reactors. The kinetic and thermodynamic research of light naphtha isomerization process was conducted. The kinetic parameters of hydrocarbon feedstock chemical conversion on different types of platinum-content catalysts was established. The estimation of efficiency of including different types of isomerization technologies in oil refinery flow diagram was performed.

Spray Drying Processing: granules production and drying kinetics of droplets; El proceso de secado por atomizacion: formacion de granulos y cinetica de secado de gotas

Energy Technology Data Exchange (ETDEWEB)

Mondragon, R.; Julia, J. E.; Barba, A.; Jarque, J. C.

2013-09-01

Spray drying is a unit operation very common in many industrial processes. For each particular application, the resulting granulated material must possess determined properties that depend on the conditions in which the spray drying processing has been carried out, and whose dependence must be known in order to optimize the quality of the material obtained. The large number of variables that influence on the processes of matter and energy transfer and on the formation of granular material has required a detailed analysis of the drying process. Over the years there have been many studies on the spray drying processing of all kind of materials and the influence of process variables on the drying kinetics of the granulated material properties obtained. This article lists the most important works published for both the spray drying processing and the drying of individual droplets, as well as studies aimed at modeling the drying kinetics of drops. (Author)

Analysis of Optimal Process Flow Diagrams of Light Naphtha Isomerization Process by Mathematic Modelling Method

Directory of Open Access Journals (Sweden)

Chuzlov Vjacheslav

2016-01-01

Full Text Available An approach to simulation of hydrocarbons refining processes catalytic reactors. The kinetic and thermodynamic research of light naphtha isomerization process was conducted. The kinetic parameters of hydrocarbon feedstock chemical conversion on different types of platinum-content catalysts was established. The estimation of efficiency of including different types of isomerization technologies in oil refinery flow diagram was performed.

Acid hydrolysis of corn stover using hydrochloric acid: Kinetic modeling and statistical optimization

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Sun Yong

2014-01-01

Full Text Available The hydrolysis of corn stover using hydrochloric acid was studied. The kinetic parameters of the mathematical models for predicting the yields of xylose, glucose, furfural and acetic acid were obtained, and the corresponding xylose generation activation energy of 100 kJ/mol was determined. The characterization of corn stover using with different techniques during hydrolysis indicated an effective removal of xylan and the slightly alteration on the structures of cellulose and lignin. A 23five levels Central Composite Design (CCD was used to develop a statistical model for the optimization of process variables including acid concentration, pretreatment temperature and time. The optimum conditions determined by this model were found to be 108ºC for 80 minutes with acid concentration of 5.8%. Under these conditions, the maximised results are the following: xylose 19.93 g/L, glucose 1.2 g/L, furfural 1.5 g/L, acetic acid 1.3 g/L. The validation of the model indicates a good agreement between the experimental results and the predicted values.

Modeling of Fusarium redolens Dzf2 mycelial growth kinetics and optimal fed-batch fermentation for beauvericin production.

Science.gov (United States)

Xu, Li-Jian; Liu, Yuan-Shuai; Zhou, Li-Gang; Wu, Jian-Yong

2011-09-01

Beauvericin (BEA) is a cyclic hexadepsipeptide mycotoxin with notable phytotoxic and insecticidal activities. Fusarium redolens Dzf2 is a highly BEA-producing fungus isolated from a medicinal plant. The aim of the current study was to develop a simple and valid kinetic model for F. redolens Dzf2 mycelial growth and the optimal fed-batch operation for efficient BEA production. A modified Monod model with substrate (glucose) and product (BEA) inhibition was constructed based on the culture characteristics of F. redolens Dzf2 mycelia in a liquid medium. Model parameters were derived by simulation of the experimental data from batch culture. The model fitted closely with the experimental data over 20-50 g l(-1) glucose concentration range in batch fermentation. The kinetic model together with the stoichiometric relationships for biomass, substrate and product was applied to predict the optimal feeding scheme for fed-batch fermentation, leading to 54% higher BEA yield (299 mg l(-1)) than in the batch culture (194 mg l(-1)). The modified Monod model incorporating substrate and product inhibition was proven adequate for describing the growth kinetics of F. redolens Dzf2 mycelial culture at suitable but not excessive initial glucose levels in batch and fed-batch cultures.

Comparison of adsorption equilibrium and kinetic models for a case study of pharmaceutical active ingredient adsorption from fermentation broths: parameter determination, simulation, sensitivity analysis and optimization

Directory of Open Access Journals (Sweden)

B. Likozar

2012-09-01

Full Text Available Mathematical models for a batch process were developed to predict concentration distributions for an active ingredient (vancomycin adsorption on a representative hydrophobic-molecule adsorbent, using differently diluted crude fermentation broth with cells as the feedstock. The kinetic parameters were estimated using the maximization of the coefficient of determination by a heuristic algorithm. The parameters were estimated for each fermentation broth concentration using four concentration distributions at initial vancomycin concentrations of 4.96, 1.17, 2.78, and 5.54 g l−¹. In sequence, the models and their parameters were validated for fermentation broth concentrations of 0, 20, 50, and 100% (v/v by calculating the coefficient of determination for each concentration distribution at the corresponding initial concentration. The applicability of the validated models for process optimization was investigated by using the models as process simulators to optimize the two process efficiencies.

Calculation the kinetics of the baking biscuit process

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S. T. Antipov

2013-01-01

Full Text Available Based on the input values of the equivalent values of thermophysical units and the heat transfer coefficient were calculated: values that reflect the kinetics of the process of baking; values allowing to determine the relationship duration baking temperature in the baking chamber; the voltage of the active area of the hearth.

Volatile fatty acid degradation kinetics in anaerobic process; Cinetica de la degradacion de acidos grasos volatiles en procesos anaerobios

Energy Technology Data Exchange (ETDEWEB)

Riscado, S.; Osuna, B.; Iza, J.; Ruiz, E. [Universidad del Pais Vasco. Bilbao (Spain)

1998-10-01

While searching for the optimal substrate load for anaerobic toxicity assays, the inhibition caused by the propionic acid has been addressed. Lab scale experiments have been carried out to assess the effects of different loads and acid ratios. Results bad been subjected to kinetic analysis and show the degradation follows a first order kinetic, and acetic is easier to degrade than propionic acid. The optimal load for a 100 ml vial assay is composed of 158 mg COD of the 3:1:1 HAc:HPr:HBu mixture. (Author) 9 refs.

Kinetic studies on the degradation of crystal violet by the Fenton oxidation process.

Science.gov (United States)

Wu, H; Fan, M M; Li, C F; Peng, M; Sheng, L J; Pan, Q; Song, G W

2010-01-01

The degradation of dye crystal violet (CV) by Fenton oxidation process was investigated. The UV-Vis spectrogram has shown that CV can be degraded effectively by Fenton oxidation process. Different system variables namely initial H(2)O(2) concentration, initial Fe(2 + ) concentration and reaction temperature, which have effect on the degradation of CV by Fenton oxidation process, have been studied systematically. The degradation kinetics of CV was also elucidated based on the experimental data. The degradation of CV obeys the first-order reaction kinetics. The kinetic model can be described as k=1.5 exp(-(7.5)/(RT))[H(2)O(2)](0)(0.8718)[Fe(2+)](0)(0.5062). According to the IR spectrogram, it is concluded that the benzene ring of crystal violet has been destroyed by Fenton oxidation. The result will be useful in treating dyeing wastewater containing CV by Fenton oxidation process.

Optimization of direct solvent lipid extraction kinetics on marine trebouxiophycean alga by central composite design – Bioenergy perspective

International Nuclear Information System (INIS)

Mathimani, Thangavel; Uma, Lakshmanan; Prabaharan, Dharmar

2017-01-01

Highlights: • Direct solvent extraction is an appropriate pretreatment for marine C. vulgaris. • 2:1 chloroform/methanol, 1:5 DCW/solvent, 65 °C and 120 min time are optimal variables. • Favorable R"2, Prob > F, F value and desirability ratio for all models was observed. • Precision and compatibility of the optimized process suit well with Picochlorum sp. • Fuel properties of biodiesel comply ASTM, EN and ISO standards. - Abstract: This present work compares various pretreatment techniques, single/binary solvent system, biomass drying methods and biomass particle sizes to ascertain effective lipid extraction process for marine trebouxiophycean microalga Chlorella vulgaris BDUG 91771. Of the tested methods, homogenization or direct solvent extraction (DSE) pretreatment, chloroform/methanol binary solvent system, and ≤600 µm particle size extracted maximum lipid of 22.1% irrespective of different biomass drying methods. Further, considering low energy consumption and industrial feasibility, optimization of DSE process kinetics was performed by central composite design. According to central composite design, high lipid recovery was attained with 2:1 chloroform/methanol ratio, 1:5 dry cell weight/solvent ratio, 65 °C temperature, 120 min reaction time, and it was highly validated by regression analysis, coefficient determination, F-value, coefficient variation, desirability ratio of the models. It is noteworthy that, the optimized DSE process was compatible with another trebouxiophycean alga Picochlorum sp. BDUG 91281 through biological and technical replicates. In a bioenergy outlook, fuel properties of C. vulgaris BDUG 91771 biodiesel such as degree of unsaturation (69.03), long chain saturation factor (2.49), cold filter plugging point (−9.75 °C), cloud point (8.1 °C), pour point (0.66 °C), saponification value (248.2 mg KOH/g), acid value (0.51 mg KOH/g), ash content (0.019%), insoluble impurities (0.022 g/kg) and viscosity (4.1 cSt) comply ASTM

Kinetic models for historical processes of fast invasion and aggression

Science.gov (United States)

Aristov, Vladimir V.; Ilyin, Oleg V.

2015-04-01

In the last few decades many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological, and historical processes. In the present paper we suggest a model of the Nazi Germany invasion of Poland, France, and the USSR based on kinetic theory. We simulate this process with the Cauchy boundary problem for two-element kinetic equations. The solution of the problem is given in the form of a traveling wave. The propagation velocity of a front line depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be expressed in terms of quadratures and elementary functions. Finally it is shown that the front-line velocities agree with the historical data.

Model and system learners, optimal process constructors and kinetic theory-based goal-oriented design: A new paradigm in materials and processes informatics

Science.gov (United States)

Abisset-Chavanne, Emmanuelle; Duval, Jean Louis; Cueto, Elias; Chinesta, Francisco

2018-05-01

Traditionally, Simulation-Based Engineering Sciences (SBES) has relied on the use of static data inputs (model parameters, initial or boundary conditions, … obtained from adequate experiments) to perform simulations. A new paradigm in the field of Applied Sciences and Engineering has emerged in the last decade. Dynamic Data-Driven Application Systems [9, 10, 11, 12, 22] allow the linkage of simulation tools with measurement devices for real-time control of simulations and applications, entailing the ability to dynamically incorporate additional data into an executing application, and in reverse, the ability of an application to dynamically steer the measurement process. It is in that context that traditional "digital-twins" are giving raise to a new generation of goal-oriented data-driven application systems, also known as "hybrid-twins", embracing models based on physics and models exclusively based on data adequately collected and assimilated for filling the gap between usual model predictions and measurements. Within this framework new methodologies based on model learners, machine learning and kinetic goal-oriented design are defining a new paradigm in materials, processes and systems engineering.

Disposition Kinetics and Optimal Dosage of Ciprofloxacin in Healthy Domestic Ruminant Species

Directory of Open Access Journals (Sweden)

Ijaz Javed

2009-01-01

Full Text Available The purpose of this experimental study was to determine the disposition kinetics and optimal dosages of ciprofloxacin in healthy domestic ruminant species including adult female buffalo, cow, sheep and goat. The drug was given as a single intramuscular dose of 5 mg/kg. The plasma concentrations of the drug were determined with HPLC and pharmacokinetic variables were determined. The biological half-life (t1/2 β was longer in cows (3.25 ± 0.46 h followed by intermediate values in buffaloes (3.05 ± 0.20 h and sheep (2.93 ± 0.45 h and shorter in goats (2.62 ± 0.39 h. The volume of distribution (Vd in buffaloes was 1.09 ± 0.06 l/kg, cows 1.24 ± 0.16 l/kg, sheep 2.89 ± 0.30 l/kg and goats 3.76 ± 0.92 l/kg. Total body clearance (ClB expressed in l/h/kg was minimum in buffaloes 0.25 ± 0.02 followed by values in cows 0.31 ± 0.02 and sheep 0.75 ± 0.04 and maximum in goats 1.09 ± 0.11. An optimal dosage regimen for 12-h interval consisted of 5.17, 5.62, 6.54 and 6.10 mg/kg body weight as priming and 4.84, 5.37, 6.26 and 5.91 mg/kg body weight as maintenance intramuscular dose in buffalo, cow, sheep and goat, respectively. The manufacturers of ciprofloxacin have claimed 5 mg/kg dose to be repeated after 24 h. However, the investigated dosage regimen may be repeated after 12 h to maintain MIC at the end of the dosage interval. Therefore, it is imperative that an optimal dosage regimen be based on the disposition kinetics data determined in the species and environment in which a drug is to be employed clinically.

Optimization and kinetic studies of sea mango (Cerbera odollam) oil for biodiesel production via supercritical reaction

International Nuclear Information System (INIS)

Ang, Gaik Tin; Ooi, San Nee; Tan, Kok Tat; Lee, Keat Teong; Mohamed, Abdul Rahman

2015-01-01

Highlights: • Sea mango oil as feedstock for biodiesel via non-catalytic supercritical reaction. • Extracted sea mango oil with high FFA could produce high yield of FAME. • Employment of Response Surface Methodology for optimization of FAME. • Kinetic study for reversible transesterification and esterification reactions. - Abstract: Sea mango (Cerbera odollam) oil, which is rich in free fatty acids, was utilized to produce fatty acid methyl esters (FAME) via supercritical transesterification reaction. Sea mango oil was extracted from seeds and was subsequently reacted with methanol in a batch-type supercritical reactor. Response surface methodology (RSM) analysis was used to optimize important parameters, including reaction temperature, reaction time and the molar ratio of methanol to oil. The optimum conditions were found as 380 °C, 40 min and 45:1 mol/mol, respectively, to achieve 78% biodiesel content. The first kinetic modelling of FAME production from sea mango oil incorporating reversible transesterification and reversible esterification was verified simultaneously. The kinetic parameters, including reaction rate constants, k, the pre-exponential constant, A, and the activation energy, Ea, for transesterification and esterification were determined using an ordinary differential equation (ODE45) solver. The highest activation energy of 40 kJ/mol and the lowest reaction rate constant of 2.50 × 10 −5 dm 3 /mol s verified that the first stepwise reaction of TG to produce DG was the rate-limiting step

Decolorization and mineralization of Diarylide Yellow 12 (PY12) by photo-Fenton process: the Response Surface Methodology as the optimization tool.

Science.gov (United States)

GilPavas, Edison; Dobrosz-Gómez, Izabela; Gómez-García, Miguel Ángel

2012-01-01

The Response Surface Methodology (RSM) was applied as a tool for the optimization of the operational conditions of the photo-degradation of highly concentrated PY12 wastewater, resulting from a textile industry located in the suburbs of Medellin (Colombia). The Box-Behnken experimental Design (BBD) was chosen for the purpose of response optimization. The photo-Fenton process was carried out in a laboratory-scale batch photo-reactor. A multifactorial experimental design was proposed, including the following variables: the initial dyestuff concentration, the H(2)O(2) and the Fe(+2) concentrations, as well as the UV wavelength radiation. The photo-Fenton process performed at the optimized conditions resulted in ca. 100% of dyestuff decolorization, 92% of COD and 82% of TOC degradation. A kinetic study was accomplished, including the identification of some intermediate compounds generated during the oxidation process. The water biodegradability reached a final DBO(5)/DQO = 0.86 value.

Surrogate models and optimal design of experiments for chemical kinetics applications

KAUST Repository

Bisetti, Fabrizio

2015-01-07

Kinetic models for reactive flow applications comprise hundreds of reactions describing the complex interaction among many chemical species. The detailed knowledge of the reaction parameters is a key component of the design cycle of next-generation combustion devices, which aim at improving conversion efficiency and reducing pollutant emissions. Shock tubes are a laboratory scale experimental configuration, which is widely used for the study of reaction rate parameters. Important uncertainties exist in the values of the thousands of parameters included in the most advanced kinetic models. This talk discusses the application of uncertainty quantification (UQ) methods to the analysis of shock tube data as well as the design of shock tube experiments. Attention is focused on a spectral framework in which uncertain inputs are parameterized in terms of canonical random variables, and quantities of interest (QoIs) are expressed in terms of a mean-square convergent series of orthogonal polynomials acting on these variables. We outline the implementation of a recent spectral collocation approach for determining the unknown coefficients of the expansion, namely using a sparse, adaptive pseudo-spectral construction that enables us to obtain surrogates for the QoIs accurately and efficiently. We first discuss the utility of the resulting expressions in quantifying the sensitivity of QoIs to uncertain inputs, and in the Bayesian inference key physical parameters from experimental measurements. We then discuss the application of these techniques to the analysis of shock-tube data and the optimal design of shock-tube experiments for two key reactions in combustion kinetics: the chain-brancing reaction H + O2 ←→ OH + O and the reaction of Furans with the hydroxyl radical OH.

Modeling texture kinetics during thermal processing of potato products.

Science.gov (United States)

Moyano, P C; Troncoso, E; Pedreschi, F

2007-03-01

A kinetic model based on 2 irreversible serial chemical reactions has been proposed to fit experimental data of texture changes during thermal processing of potato products. The model links dimensionless maximum force F*(MAX) with processing time. Experimental texture changes were obtained during frying of French fries and potato chips at different temperatures, while literature data for blanching/cooking of potato cubes have been considered. A satisfactory agreement between experimental and predicted values was observed, with root mean square values (RMSs) in the range of 4.7% to 16.4% for French fries and 16.7% to 29.3% for potato chips. In the case of blanching/cooking, the proposed model gave RMSs in the range of 1.2% to 17.6%, much better than the 6.2% to 44.0% obtained with the traditional 1st-order kinetics. The model is able to predict likewise the transition from softening to hardening of the tissue during frying.

Thermo-kinetic modeling and optimization of the sulfur recovery unit thermal stage

International Nuclear Information System (INIS)

Zarei, Samane; Ganji, Hamid; Sadi, Maryam; Rashidzadeh, Mehdi

2016-01-01

Highlights: • The Claus reaction furnace was modeled using the corrected Gibbs energy minimization. • Using the corrected model, a significant error reduction from 33.50 to 7.86% occurred. • The waste heat boiler was modeled using plant data and a new H_2S decomposition rate. • The combined model could reasonably predict the experimental data with 6.50% error. • An optimization was carried out to control the operating variables of an existing plant. - Abstract: In this study, the reaction furnace of Claus process was modeled using the Gibbs free energy minimization method, which involved new parameters in correlations of thermodynamic properties. Using the new parameters, a significant error reduction from 33.50% to 7.86% occurred in the prediction of molar flow rate of components. Subsequently, the waste heat boiler attached to the reaction furnace was modeled using experimental plant data and a new hydrogen sulfide decomposition rate. Utilizing this new rate expression, the capability of the model in H_2 molar flow rate prediction was enhanced, and the mean absolute percentage error of the model for H_2 and H_2S species reached 12.94% and 9.43%, respectively. The combined model including corrected equilibrium model for the reaction furnace and corrected kinetic model for the waste heat boiler could reasonably predict the experimental data so that the mean absolute percentage error reached to 6.50%. An optimization study was carried out to examine the operating condition of the Claus reaction furnace and the waste heat boiler in order to maximize sulfur production and minimize COS emission while maintaining H_2S to SO_2 flow ratio at constant value of 2.

Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition State

Directory of Open Access Journals (Sweden)

Vicente Martí-Centelles

2012-01-01

competitive oligomerization/polymerization processes yielding undesired oligomeric/polymeric byproducts. The effect of anions has also been included in the kinetic models, as they can act as catalytic templates in the transition state reducing and stabilizing the transition state. The corresponding differential equation systems for each kinetic model can be solved numerically. Through a comprehensive analysis of these results, it is possible to obtain a better understanding of the different parameters that are involved in the macrocyclization reaction mechanism and to develop strategies for the optimization of the desired processes.

Optimization and control of metal forming processes

NARCIS (Netherlands)

Havinga, Gosse Tjipke

2016-01-01

Inevitable variations in process and material properties limit the accuracy of metal forming processes. Robust optimization methods or control systems can be used to improve the production accuracy. Robust optimization methods are used to design production processes with low sensitivity to the

Optimal design issues of a gas-to-liquid process

Energy Technology Data Exchange (ETDEWEB)

Rafiee, Ahmad

2012-07-01

methane reformer in front of ATR will reduce total oxygen consumption per barrel of product by 40 % compared to the process with a standalone ATR. The production rate of liquid hydrocarbons is increased by 25.3%. The process with a standalone ATR has the highest Co2 emission. The Fischer-Tropsch (FT) reactor is sectioned into stages. The design functions (decision variables) are optimized to maximize an objective function. The decision variables are fluid mixing (dispersion), heat transfer area distribution, coolant temperature, and catalyst concentration. With the chosen kinetic models for iron and cobalt based catalysts, staging of the FT reactor will increase the production rate of C11+. By introducing the cost of heat transfer area in the objective function, the total heat transfer area requirement is reduced which will increase the annual profit. The optimal mixing structure for a two stage Fischer-Tropsch is completely mixed (CSTR) for the first stage and plug flow (PFR) for second stage. Having less heat transfer area, the purpose of the CSTR is to level out the temperature peak. If we set the CSTR to a PFR, the peak temperature will exceed the maximum temperature.(Author)

Generic Schemes for Single-Molecule Kinetics. 3: Self-Consistent Pathway Solutions for Nonrenewal Processes.

Science.gov (United States)

Piephoff, D Evan; Cao, Jianshu

2018-04-23

We recently developed a pathway analysis framework (paper 1) for describing single-molecule kinetics for renewal (i.e., memoryless) processes based on the decomposition of a kinetic scheme into generic structures. In our approach, waiting time distribution functions corresponding to such structures are expressed in terms of self-consistent pathway solutions and concatenated to form measurable probability distribution functions (PDFs), affording a simple way to decompose and recombine a network. Here, we extend this framework to nonrenewal processes, which involve correlations between events, and employ it to formulate waiting time PDFs, including the first-passage time PDF, for a general kinetic network model. Our technique does not require the assumption of Poissonian kinetics, permitting a more general kinetic description than the usual rate approach, with minimal topological restrictiveness. To demonstrate the usefulness of this technique, we provide explicit calculations for our general model, which we adapt to two generic schemes for single-enzyme turnover with conformational interconversion. For each generic scheme, wherein the intermediate state(s) need not undergo Poissonian decay, the functional dependence of the mean first-passage time on the concentration of an external substrate is analyzed. When conformational detailed balance is satisfied, the enzyme turnover rate (related to the mean first-passage time) reduces to the celebrated Michaelis-Menten functional form, consistent with our previous work involving a similar scheme with all rate processes, thereby establishing further generality to this intriguing result. Our framework affords a general and intuitive approach for evaluating measurable waiting time PDFs and their moments, making it a potentially useful kinetic tool for a wide variety of single-molecule processes.

Dose dependent oxidation kinetics of lipids in fish during irradiation processing

International Nuclear Information System (INIS)

Tukenmez, I.; Ersen, M.S.; Bakioglu, A.T.; Bicer, A.; Pamuk, V.

1997-01-01

Kinetic aspects of the development of lipid oxidation in complex foods as fish in the course of irradiation were analyzed with respect to the associated formation of malonaldehyde (MA) through the reactions modified so as to be consistent with those in complex foods as fish. Air-packed anchovy (Engraulis encrasicholus) samples in polyethylene pouches were irradiated at the doses of 1, 2, 5, 10, 15,20 and 25 kGy at 20 o C in a Cs-137 gamma irradiator of 1.806 kGy/h dose rate. Immediately after each irradiation, MA contents of irradiated and unirradiated samples were determined by thiobarbituric acid test. Based on the MA formation, a kinetic model to simulate the apparent oxidation of lipid in fish as a function of irradiation dose was derived from the rate equations consistent with modified reactions. Kinetic parameters and simulation were related to conditions of lipid oxidation, and associated rancidity state of fish with respect to the doses applied in different irradiation-preservation processes. Numerical values of kinetic parameters based on the MA formation were found as a threshold dose of 0.375 kGy, an apparent yield of 1.871 μmol/kg kGy, and a maximum attainable concentration of 15.853 μmol/kg which may be used for process control and dosimetry. (author)

Removal of Dibenzothiophene Using Activated Carbon/γ-Fe2O3 Nano-Composite: Kinetic and Thermodynamic Investigation of the Removal Process

Directory of Open Access Journals (Sweden)

Maryam Fayazi

2015-12-01

Full Text Available In the present study, removal of dibenzothiophene (DBT from model oil (n-hexane was investigated using magnetic activated carbon (MAC nano-composite adsorbent. The synthesized nano-composite was characterized by FT-IR, FE-SEM, BET and VSM techniques. The MAC nano-composite exhibited a nearly superparamagnetic property with a saturation magnetization (Ms of 29.2 emu g-1, which made it desirable for separation under an external magnetic field. The magnetic adsorbent afforded a maximum adsorption capacity of 38.0 mg DBT g-1 at the optimized conditions (adsorbent dose, 8 g l-1; contact time, 1 h; temperature, 25 °C. Langmuir, Freundlich and Temkin isotherm models were used to fit equilibrium data for MAC nano-composite. Adsorption process could be well described by the Langmuir model. Kinetic studies were carried out and showed the sorption kinetics of DBT was best described by a pseudo-second-order kinetic model. In addition, the MAC nano-composite exhibited good capability of recycling to adsorb DBT in gasoline deep desulfurization.

The Characterization of Cognitive Processes Involved in Chemical Kinetics Using a Blended Processing Framework

Science.gov (United States)

Bain, Kinsey; Rodriguez, Jon-Marc G.; Moon, Alena; Towns, Marcy H.

2018-01-01

Chemical kinetics is a highly quantitative content area that involves the use of multiple mathematical representations to model processes and is a context that is under-investigated in the literature. This qualitative study explored undergraduate student integration of chemistry and mathematics during problem solving in the context of chemical…

Modeling Kinetics of Distortion in Porous Bi-layered Structures

DEFF Research Database (Denmark)

Tadesse Molla, Tesfaye; Frandsen, Henrik Lund; Bjørk, Rasmus

2013-01-01

because of different sintering rates of the materials resulting in undesired distortions of the component. An analytical model based on the continuum theory of sintering has been developed to describe the kinetics of densification and distortion in the sintering processes. A new approach is used...... to extract the material parameters controlling shape distortion through optimizing the model to experimental data of free shrinkage strains. The significant influence of weight of the sample (gravity) on the kinetics of distortion is taken in to consideration. The modeling predictions indicate good agreement...

Optimization, isotherm, kinetic and thermodynamic studies of Pb(II) ions adsorption onto N-maleated chitosan-immobilized TiO2 nanoparticles from aqueous media

Science.gov (United States)

Shaker, Medhat A.; Yakout, Amr A.

2016-02-01

Chitosan, CS was chemically engineered by maleic anhydride via simple protocol to produce N-maleated chitosan, MCS which immobilized on anatase TiO2 to synthesize novel eco-friendly nanosorbent (51 ± 3.8 nm), MCS@TiO2 for cost-effective and efficient removal of Pb(II) ions from aqueous media. The chemical structure, surface properties and morphology of MCS@TiO2 were recognized by FTIR, 1H NMR, XRD, TEM, DLS and zeta-potential techniques. The relations between %removal of Pb(II) and different analytical parameters such as solution acidity (pH), MCS@TiO2 dosage, time of contact and initial Pb(II) concentration were optimized using response surface methodology (RSM) and Box-Behnken design (BBD) statistical procedures. The fitting of the experimental data to four different isotherm models at optimized conditions was carried out by various statistical treatments including the correlation coefficient (r), coefficient of determination (r2) and non-linear Chi-square (χ2) test analyses which all confirm the suitability of Langmuir model to explain the adsorption isotherm data. Also, statistics predicted that the pseudo-second-order model is the optimum kinetic model among four applied kinetic models to closely describe the rate equation of the adsorption process. Thermodynamics viewed the adsorption as endothermic and feasible physical process. EDTA could release the sorbed Pb(II) ions from MCS@TiO2 with a recovery above 92% after three sorption-desorption cycles. The novel synthesized nanosorbent is evidenced to be an excellent solid phase extractor for Pb(II) ions from wastewaters.

PROPOSAL OF SPATIAL OPTIMIZATION OF PRODUCTION PROCESS IN PROCESS DESIGNER

Directory of Open Access Journals (Sweden)

Peter Malega

2015-03-01

Full Text Available This contribution is focused on optimizing the use of space in the production process using software Process Designer. The aim of this contribution is to suggest possible improvements to the existing layout of the selected production process. Production process was analysed in terms of inputs, outputs and course of actions. Nowadays there are many software solutions aimed at optimizing the use of space. One of these software products is the Process Designer, which belongs to the product line Tecnomatix. This software is primarily aimed at production planning. With Process Designer is possible to design the layout of production and subsequently to analyse the production or to change according to the current needs of the company.

On kinetic description of electromagnetic processes in a quantum plasma

International Nuclear Information System (INIS)

Tyshetskiy, Yu.; Vladimirov, S. V.; Kompaneets, R.

2011-01-01

A nonlinear kinetic equation for nonrelativistic quantum plasma with electromagnetic interaction of particles is obtained in the Hartree's mean-field approximation. It is cast in a convenient form of Vlasov-Boltzmann-type equation with ''quantum interference integral'', which allows for relatively straightforward modification of existing classical Vlasov codes to incorporate quantum effects (quantum statistics and quantum interference of overlapping particles wave functions), without changing the bulk of the codes. Such modification (upgrade) of existing Vlasov codes may provide a direct and effective path to numerical simulations of nonlinear electrostatic and electromagnetic phenomena in quantum plasmas, especially of processes where kinetic effects are important (e.g., modulational interactions and stimulated scattering phenomena involving plasma modes at short wavelengths or high-order kinetic modes, dynamical screening and interaction of charges in quantum plasma, etc.) Moreover, numerical approaches involving such modified Vlasov codes would provide a useful basis for theoretical analyses of quantum plasmas, as quantum and classical effects can be easily separated there.

Recrystallization kinetics of nanostructured copper processed by dynamic plastic deformation

DEFF Research Database (Denmark)

Lin, Fengxiang; Zhang, Yubin; Pantleon, Wolfgang

2012-01-01

The recrystallization kinetics of nanostructured copper samples processed by dynamic plastic deformation was investigated by electron backscatter diffraction. It was found that the evolution of the recrystallized volume fraction as a function of annealing time has a very low slope (n=0.37) when...

Heterogeneous architecture to process swarm optimization algorithms

Directory of Open Access Journals (Sweden)

Maria A. Dávila-Guzmán

2014-01-01

Full Text Available Since few years ago, the parallel processing has been embedded in personal computers by including co-processing units as the graphics processing units resulting in a heterogeneous platform. This paper presents the implementation of swarm algorithms on this platform to solve several functions from optimization problems, where they highlight their inherent parallel processing and distributed control features. In the swarm algorithms, each individual and dimension problem are parallelized by the granularity of the processing system which also offer low communication latency between individuals through the embedded processing. To evaluate the potential of swarm algorithms on graphics processing units we have implemented two of them: the particle swarm optimization algorithm and the bacterial foraging optimization algorithm. The algorithms’ performance is measured using the acceleration where they are contrasted between a typical sequential processing platform and the NVIDIA GeForce GTX480 heterogeneous platform; the results show that the particle swarm algorithm obtained up to 36.82x and the bacterial foraging swarm algorithm obtained up to 9.26x. Finally, the effect to increase the size of the population is evaluated where we show both the dispersion and the quality of the solutions are decreased despite of high acceleration performance since the initial distribution of the individuals can converge to local optimal solution.

Simulation of kinetic processes in the nuclear-excited helium non-ideal dusty plasma

International Nuclear Information System (INIS)

Budnik, A.P.; Kosarev, V.A.; Rykov, V.A.; Fortov, V.E.; Vladimirov, V.I.; Deputatova, L.V.

2009-01-01

The paper is devoted to the studying of kinetic processes in the nuclear-excited plasma of the helium gas with the fine uranium (or its chemical compounds) particles admixture. A new theoretical model for the mathematical simulation of the kinetic processes in dusty plasma of helium gas was developed. The main goal of this investigation is to determine possibilities of a creation of non-ideal dusty plasma, containing nano- and micro-particles, and excited by fission fragments (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Modeling Ignition of a Heptane Isomer: Improved Thermodynamics, Reaction Pathways, Kinetic, and Rate Rule Optimizations for 2-Methylhexane

KAUST Repository

Mohamed, Samah; Cai, Liming; Khaled, Fathi; Banyon, Colin; Wang, Zhandong; Rachidi, Mariam El; Pitsch, Heinz; Curran, Henry J.; Farooq, Aamir; Sarathy, Mani

2016-01-01

Accurate chemical kinetic combustion models of lightly branched alkanes (e.g., 2-methylalkanes) are important to investigate the combustion behavior of real fuels. Improving the fidelity of existing kinetic models is a necessity, as new experiments and advanced theories show inaccuracies in certain portions of the models. This study focuses on updating thermodynamic data and the kinetic reaction mechanism for a gasoline surrogate component, 2-methylhexane, based on recently published thermodynamic group values and rate rules derived from quantum calculations and experiments. Alternative pathways for the isomerization of peroxy-alkylhydroperoxide (OOQOOH) radicals are also investigated. The effects of these updates are compared against new high-pressure shock tube and rapid compression machine ignition delay measurements. It is shown that rate constant modifications are required to improve agreement between kinetic modeling simulations and experimental data. We further demonstrate the ability to optimize the kinetic model using both manual and automated techniques for rate parameter tunings to improve agreement with the measured ignition delay time data. Finally, additional low temperature chain branching reaction pathways are shown to improve the model’s performance. The present approach to model development provides better performance across extended operating conditions while also strengthening the fundamental basis of the model.

Modeling Ignition of a Heptane Isomer: Improved Thermodynamics, Reaction Pathways, Kinetic, and Rate Rule Optimizations for 2-Methylhexane

KAUST Repository

Mohamed, Samah

2016-03-21

Accurate chemical kinetic combustion models of lightly branched alkanes (e.g., 2-methylalkanes) are important to investigate the combustion behavior of real fuels. Improving the fidelity of existing kinetic models is a necessity, as new experiments and advanced theories show inaccuracies in certain portions of the models. This study focuses on updating thermodynamic data and the kinetic reaction mechanism for a gasoline surrogate component, 2-methylhexane, based on recently published thermodynamic group values and rate rules derived from quantum calculations and experiments. Alternative pathways for the isomerization of peroxy-alkylhydroperoxide (OOQOOH) radicals are also investigated. The effects of these updates are compared against new high-pressure shock tube and rapid compression machine ignition delay measurements. It is shown that rate constant modifications are required to improve agreement between kinetic modeling simulations and experimental data. We further demonstrate the ability to optimize the kinetic model using both manual and automated techniques for rate parameter tunings to improve agreement with the measured ignition delay time data. Finally, additional low temperature chain branching reaction pathways are shown to improve the model’s performance. The present approach to model development provides better performance across extended operating conditions while also strengthening the fundamental basis of the model.

Food processing optimization using evolutionary algorithms | Enitan ...

African Journals Online (AJOL)

Evolutionary algorithms are widely used in single and multi-objective optimization. They are easy to use and provide solution(s) in one simulation run. They are used in food processing industries for decision making. Food processing presents constrained and unconstrained optimization problems. This paper reviews the ...

Statistical optimization for enhanced yields of probiotic Bacillus coagulans and its phage resistant mutants followed by kinetic modelling of the process.

Science.gov (United States)

Pandey, Kavita R; Joshi, Chetan; Vakil, Babu V

2016-01-01

Probiotics are microorganisms which when administered in adequate amounts confer health benefits to the host. A leading pharmaceutical company producing Bacillus coagulans as a probiotic was facing the problem of recurring phage attacks. Two mutants viz. B. co PIII and B. co MIII that were isolated as phage resistant mutants after UV irradiation and MMS treatment of phage sensitive B. coagulans parental culture were characterized at functional and molecular level and were noted to have undergone interesting genetic changes. The non-specific genetic alterations induced by mutagenesis can also lead to alterations in cell performance. Hence, in the current study the parental strain and the two mutants were selected for shake flask optimization. Plackett-Burman design was used to select the significant culture variables affecting biomass production. Evolutionary operation method was applied for further optimization. The study showed wide variations in the nutritional requirements of phage resistant mutants, post exposure to mutagens. An increment of 150, 134 and 152 % was observed in the biomass productions of B. coagulans (parental type) and mutants B.co PIII and B.co MIII respectively, compared to the yield from one-factor-at-a-time technique. Using Logistic and modified Leudeking-Piret equations, biomass accumulation and substrate utilization efficiency of the bioprocess were determined. The experimental data was in agreement with the results predicted by statistical analysis and modelling. The developed model may be useful for controlling the growth and substrate consumption kinetics in large scale fermentation using B. coagulans .

Photo-assisted Fenton type processes for the degradation of phenol: A kinetic study

International Nuclear Information System (INIS)

Kusic, Hrvoje; Koprivanac, Natalija; Bozic, Ana Loncaric; Selanec, Iva

2006-01-01

In this study the application of advanced oxidation processes (AOPs), dark Fenton and photo-assisted Fenton type processes; Fe 2+ /H 2 O 2 , Fe 3+ /H 2 O 2 , Fe 0 /H 2 O 2 , UV/Fe 2+ /H 2 O 2 , UV/Fe 3+ /H 2 O 2 and UV/Fe 0 /H 2 O 2 , for degradation of phenol as a model organic pollutant in the wastewater was investigated. A detail kinetic modeling which describes the degradation of phenol was performed. Mathematical models which predict phenol decomposition and formation of primary oxidation by-products: catechol, hydroquinone and benzoquinone, by applied processes were developed. The study also consist the modeling of mineralization kinetic of the phenol solution by applied AOPs. This part, besides well known reactions of Fenton and photo-Fenton chemistry, involves additional reactions which describe removal of iron from catalytic cycle through formation of ferric complexes and its regeneration induced by UV radiation. Phenol decomposition kinetic was monitored by HPLC analysis and total organic carbon content measurements (TOC). Complete phenol removal was obtained by all applied processes. Residual TOC by applied Fenton type processes ranged between 60.2 and 44.7%, while the efficiency of those processes was significantly enhanced in the presence of UV light, where residual TOC ranged between 15.2 and 2.4%

A conservative scheme of drift kinetic electrons for gyrokinetic simulation of kinetic-MHD processes in toroidal plasmas

Science.gov (United States)

Bao, J.; Liu, D.; Lin, Z.

2017-10-01

A conservative scheme of drift kinetic electrons for gyrokinetic simulations of kinetic-magnetohydrodynamic processes in toroidal plasmas has been formulated and verified. Both vector potential and electron perturbed distribution function are decomposed into adiabatic part with analytic solution and non-adiabatic part solved numerically. The adiabatic parallel electric field is solved directly from the electron adiabatic response, resulting in a high degree of accuracy. The consistency between electrostatic potential and parallel vector potential is enforced by using the electron continuity equation. Since particles are only used to calculate the non-adiabatic response, which is used to calculate the non-adiabatic vector potential through Ohm's law, the conservative scheme minimizes the electron particle noise and mitigates the cancellation problem. Linear dispersion relations of the kinetic Alfvén wave and the collisionless tearing mode in cylindrical geometry have been verified in gyrokinetic toroidal code simulations, which show that the perpendicular grid size can be larger than the electron collisionless skin depth when the mode wavelength is longer than the electron skin depth.

Numerical optimization of laboratory combustor geometry for NO suppression

International Nuclear Information System (INIS)

Mazaheri, Karim; Shakeri, Alireza

2016-01-01

Highlights: • A five-step kinetics for NO and CO prediction is extracted from GRI-3.0 mechanism. • Accuracy and applicability of this kinetics for numerical optimization were shown. • Optimized geometry for a combustor was determined using the combined process. • NO emission from optimized geometry is found 10.3% lower than the basis geometry. - Abstract: In this article, geometry optimization of a jet stirred reactor (JSR) combustor has been carried out for minimum NO emissions in methane oxidation using a combined numerical algorithm based on computational fluid dynamics (CFD) and differential evolution (DE) optimization. The optimization algorithm is also used to find a fairly accurate reduced mechanism. The combustion kinetics is based on a five-step mechanism with 17 unknowns which is obtained using an optimization DE algorithm for a PSR–PFR reactor based on GRI-3.0 full mechanism. The optimization design variables are the unknowns of the five-step mechanism and the cost function is the concentration difference of pollutants obtained from the 5-step mechanism and the full mechanism. To validate the flow solver and the chemical kinetics, the computed NO at the outlet of the JSR is compared with experiments. To optimize the geometry of a combustor, the JSR combustor geometry is modeled using three parameters (i.e., design variables). An integrated approach using a flow solver and the DE optimization algorithm produces the lowest NO concentrations. Results show that the exhaust NO emission for the optimized geometry is 10.3% lower than the original geometry, while the inlet temperature of the working fluid and the concentration of O_2 are operating constraints. In addition, the concentration of CO pollutant is also much less than the original chamber.

Determination of kinetic parameters of 1,3-propanediol fermentation by Clostridium diolis using statistically optimized medium.

Science.gov (United States)

Kaur, Guneet; Srivastava, Ashok K; Chand, Subhash

2012-09-01

1,3-propanediol (1,3-PD) is a chemical compound of immense importance primarily used as a raw material for fiber and textile industry. It can be produced by the fermentation of glycerol available abundantly as a by-product from the biodiesel plant. The present study was aimed at determination of key kinetic parameters of 1,3-PD fermentation by Clostridium diolis. Initial experiments on microbial growth inhibition were followed by optimization of nutrient medium recipe by statistical means. Batch kinetic data from studies in bioreactor using optimum concentration of variables obtained from statistical medium design was used for estimation of kinetic parameters of 1,3-PD production. Direct use of raw glycerol from biodiesel plant without any pre-treatment for 1,3-PD production using this strain investigated for the first time in this work gave results comparable to commercial glycerol. The parameter values obtained in this study would be used to develop a mathematical model for 1,3-PD to be used as a guide for designing various reactor operating strategies for further improving 1,3-PD production. An outline of protocol for model development has been discussed in the present work.

Gaussian process regression for geometry optimization

Science.gov (United States)

Denzel, Alexander; Kästner, Johannes

2018-03-01

We implemented a geometry optimizer based on Gaussian process regression (GPR) to find minimum structures on potential energy surfaces. We tested both a two times differentiable form of the Matérn kernel and the squared exponential kernel. The Matérn kernel performs much better. We give a detailed description of the optimization procedures. These include overshooting the step resulting from GPR in order to obtain a higher degree of interpolation vs. extrapolation. In a benchmark against the Limited-memory Broyden-Fletcher-Goldfarb-Shanno optimizer of the DL-FIND library on 26 test systems, we found the new optimizer to generally reduce the number of required optimization steps.

Fermentation of Saccharomyces cerevisiae - Combining kinetic modeling and optimization techniques points out avenues to effective process design.

Science.gov (United States)

Scheiblauer, Johannes; Scheiner, Stefan; Joksch, Martin; Kavsek, Barbara

2018-09-14

A combined experimental/theoretical approach is presented, for improving the predictability of Saccharomyces cerevisiae fermentations. In particular, a mathematical model was developed explicitly taking into account the main mechanisms of the fermentation process, allowing for continuous computation of key process variables, including the biomass concentration and the respiratory quotient (RQ). For model calibration and experimental validation, batch and fed-batch fermentations were carried out. Comparison of the model-predicted biomass concentrations and RQ developments with the corresponding experimentally recorded values shows a remarkably good agreement for both batch and fed-batch processes, confirming the adequacy of the model. Furthermore, sensitivity studies were performed, in order to identify model parameters whose variations have significant effects on the model predictions: our model responds with significant sensitivity to the variations of only six parameters. These studies provide a valuable basis for model reduction, as also demonstrated in this paper. Finally, optimization-based parametric studies demonstrate how our model can be utilized for improving the efficiency of Saccharomyces cerevisiae fermentations. Copyright © 2018 Elsevier Ltd. All rights reserved.

Modeling of subtle kinetic processes in plasma simulation

International Nuclear Information System (INIS)

Sydora, R.D.; Decyk, V.K.; Dawson, J.M.

1988-01-01

A new diagnostic method for plasma simulation models is presented which enables one to probe the subtle dielectric properties of the plasma medium. The procedure involves the removal of the background plasma response in order to isolate the effects of small perturbing influences which are externally added. We have found the technique accurately describes fundamental kinetic plasma behavior such as the shielding of individual test charges and currents. Wave emission studies and drag of test particles has been carried out in explicit particle algorithms as well as large time step implicit and gyrokinetic models. Accurate plasma behavior is produced and it is possible to investigate in detail, processes which can be compared with plasma kinetic theory. The technique of subtraction is not only limited to particle simulation models but also can be used in MHD or fluid models where resolution is difficult due to the intensity of the background response relative to the phenomena one is interested in measuring, such as a weakly grouwing instability or nonlinear mode coupling effect. (author)

Optimal control of a CSTR process

Directory of Open Access Journals (Sweden)

A. Soukkou

2008-12-01

Full Text Available Designing an effective criterion and learning algorithm for find the best structure is a major problem in the control design process. In this paper, the fuzzy optimal control methodology is applied to the design of the feedback loops of an Exothermic Continuous Stirred Tank Reactor system. The objective of design process is to find an optimal structure/gains of the Robust and Optimal Takagi Sugeno Fuzzy Controller (ROFLC. The control signal thus obtained will minimize a performance index, which is a function of the tracking/regulating errors, the quantity of the energy of the control signal applied to the system, and the number of fuzzy rules. The genetic learning is proposed for constructing the ROFLC. The chromosome genes are arranged into two parts, the binary-coded part contains the control genes and the real-coded part contains the genes parameters representing the fuzzy knowledge base. The effectiveness of this chromosome formulation enables the fuzzy sets and rules to be optimally reduced. The performances of the ROFLC are compared to these found by the traditional PD controller with Genetic Optimization (PD_GO. Simulations demonstrate that the proposed ROFLC and PD_GO has successfully met the design specifications.

Optimal control of switched systems arising in fermentation processes

CERN Document Server

Liu, Chongyang

2014-01-01

The book presents, in a systematic manner, the optimal controls under different mathematical models in fermentation processes. Variant mathematical models – i.e., those for multistage systems; switched autonomous systems; time-dependent and state-dependent switched systems; multistage time-delay systems and switched time-delay systems – for fed-batch fermentation processes are proposed and the theories and algorithms of their optimal control problems are studied and discussed. By putting forward novel methods and innovative tools, the book provides a state-of-the-art and comprehensive systematic treatment of optimal control problems arising in fermentation processes. It not only develops nonlinear dynamical system, optimal control theory and optimization algorithms, but can also help to increase productivity and provide valuable reference material on commercial fermentation processes.

Combined TGA-MS kinetic analysis of multistep processes. Thermal decomposition and ceramification of polysilazane and polysiloxane preceramic polymers.

Science.gov (United States)

García-Garrido, C; Sánchez-Jiménez, P E; Pérez-Maqueda, L A; Perejón, A; Criado, José M

2016-10-26

The polymer-to-ceramic transformation kinetics of two widely employed ceramic precursors, 1,3,5,7-tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane (TTCS) and polyureamethylvinylsilazane (CERASET), have been investigated using coupled thermogravimetry and mass spectrometry (TG-MS), Raman, XRD and FTIR. The thermally induced decomposition of the pre-ceramic polymer is the critical step in the synthesis of polymer derived ceramics (PDCs) and accurate kinetic modeling is key to attaining a complete understanding of the underlying process and to attempt any behavior predictions. However, obtaining a precise kinetic description of processes of such complexity, consisting of several largely overlapping physico-chemical processes comprising the cleavage of the starting polymeric network and the release of organic moieties, is extremely difficult. Here, by using the evolved gases detected by MS as a guide it has been possible to determine the number of steps that compose the overall process, which was subsequently resolved using a semiempirical deconvolution method based on the Frasier-Suzuki function. Such a function is more appropriate that the more usual Gaussian or Lorentzian functions since it takes into account the intrinsic asymmetry of kinetic curves. Then, the kinetic parameters of each constituent step were independently determined using both model-free and model-fitting procedures, and it was found that the processes obey mostly diffusion models which can be attributed to the diffusion of the released gases through the solid matrix. The validity of the obtained kinetic parameters was tested not only by the successful reconstruction of the original experimental curves, but also by predicting the kinetic curves of the overall processes yielded by different thermal schedules and by a mixed TTCS-CERASET precursor.

Multi-Objective Optimization of Squeeze Casting Process using Genetic Algorithm and Particle Swarm Optimization

Directory of Open Access Journals (Sweden)

Patel G.C.M.

2016-09-01

Full Text Available The near net shaped manufacturing ability of squeeze casting process requiresto set the process variable combinations at their optimal levels to obtain both aesthetic appearance and internal soundness of the cast parts. The aesthetic and internal soundness of cast parts deal with surface roughness and tensile strength those can readily put the part in service without the requirement of costly secondary manufacturing processes (like polishing, shot blasting, plating, hear treatment etc.. It is difficult to determine the levels of the process variable (that is, pressure duration, squeeze pressure, pouring temperature and die temperature combinations for extreme values of the responses (that is, surface roughness, yield strength and ultimate tensile strength due to conflicting requirements. In the present manuscript, three population based search and optimization methods, namely genetic algorithm (GA, particle swarm optimization (PSO and multi-objective particle swarm optimization based on crowding distance (MOPSO-CD methods have been used to optimize multiple outputs simultaneously. Further, validation test has been conducted for the optimal casting conditions suggested by GA, PSO and MOPSO-CD. The results showed that PSO outperformed GA with regard to computation time.

Optimization of forging processes using finite element simulations

NARCIS (Netherlands)

Bonte, M.H.A.; Fourment, Lionel; Do, Tien-tho; van den Boogaard, Antonius H.; Huetink, Han

2010-01-01

During the last decades, simulation software based on the Finite Element Method (FEM) has significantly contributed to the design of feasible forming processes. Coupling FEM to mathematical optimization algorithms offers a promising opportunity to design optimal metal forming processes rather than

On the theory of optimal processes

International Nuclear Information System (INIS)

Goldenberg, P.; Provenzano, V.

1975-01-01

The theory of optimal processes is a recent mathematical formalism that is used to solve an important class of problems in science and in technology, that cannot be solved by classical variational techniques. An example of such processes would be the control of a nuclear reactor. Certain features of the theory of optimal processes are discussed, emphasizing the central contribution of Pontryagin with his formulation of the maximum principle. An application of the theory of optimum control is presented. The example is a time optimum problem applied to a simplified model of a nuclear reactor. It deals with the question of changing the equilibrium power level of the reactor in an optimum time

Detailed Modelling of Kinetic Biodegradation Processes in a Laboratory Mmicrocosm

Science.gov (United States)

Watson, I.; Oswald, S.; Banwart, S.; Mayer, U.

2003-04-01

Biodegradation of organic contaminants in soil and groundwater usually takes places via different redox processes happening sequentially as well as simultaneously. We used numerical modelling of a long-term lab microcosm experiment to simulate the dynamic behaviour of fermentation and respiration in the aqueous phase in contact with the sandstone material, and to develop a conceptual model describing these processes. Aqueous speciation, surface complexation, mineral dissolution and precipitation were taken into account also. Fermentation can be the first step of the degradation process producing intermediate species, which are subsequently consumed by TEAPs. Microbial growth and substrate utilisation kinetics are coupled via a formulation that also includes aqueous speciation and other geochemical reactions including surface complexation, mineral dissolution and precipitation. Competitive exclusion between TEAPs is integral to the conceptual model of the simulation, and the results indicate that exclusion is not complete, but some overlap is found between TEAPs. The model was used to test approaches like the partial equilibrium approach that currently make use of hydrogen levels to diagnose prevalent TEAPs in groundwater. The observed pattern of hydrogen and acetate concentrations were reproduced well by the simulations, and the results show the relevance of kinetics, lag times and inhibition, and especially that intermediate products play a key role.

Kinetic Modeling of a Silicon Refining Process in a Moist Hydrogen Atmosphere

Science.gov (United States)

Chen, Zhiyuan; Morita, Kazuki

2018-06-01

We developed a kinetic model that considers both silicon loss and boron removal in a metallurgical grade silicon refining process. This model was based on the hypotheses of reversible reactions. The reaction rate coefficient kept the same form but error of terminal boron concentration could be introduced when relating irreversible reactions. Experimental data from published studies were used to develop a model that fit the existing data. At 1500 °C, our kinetic analysis suggested that refining silicon in a moist hydrogen atmosphere generates several primary volatile species, including SiO, SiH, HBO, and HBO2. Using the experimental data and the kinetic analysis of volatile species, we developed a model that predicts a linear relationship between the reaction rate coefficient k and both the quadratic function of p(H2O) and the square root of p(H2). Moreover, the model predicted the partial pressure values for the predominant volatile species and the prediction was confirmed by the thermodynamic calculations, indicating the reliability of the model. We believe this model provides a foundation for designing a silicon refining process with a fast boron removal rate and low silicon loss.

Optimization of the Enzymatic Saccharification Process of Milled Orange Wastes

Directory of Open Access Journals (Sweden)

Daniel Velasco

2017-08-01

Full Text Available Orange juice production generates a very high quantity of residues (Orange Peel Waste or OPW-50–60% of total weight that can be used for cattle feed as well as feedstock for the extraction or production of essential oils, pectin and nutraceutics and several monosaccharides by saccharification, inversion and enzyme-aided extraction. As in all solid wastes, simple pretreatments can enhance these processes. In this study, hydrothermal pretreatments and knife milling have been analyzed with enzyme saccharification at different dry solid contents as the selection test: simple knife milling seemed more appropriate, as no added pretreatment resulted in better final glucose yields. A Taguchi optimization study on dry solid to liquid content and the composition of the enzymatic cocktail was undertaken. The amounts of enzymatic preparations were set to reduce their impact on the economy of the process; however, as expected, the highest amounts resulted in the best yields to glucose and other monomers. Interestingly, the highest content in solid to liquid (11.5% on dry basis rendered the best yields. Additionally, in search for process economy with high yields, operational conditions were set: medium amounts of hemicellulases, polygalacturonases and β-glucosidases. Finally, a fractal kinetic modelling of results for all products from the saccharification process indicated very high activities resulting in the liberation of glucose, fructose and xylose, and very low activities to arabinose and galactose. High activity on pectin was also observed, but, for all monomers liberated initially at a fast rate, high hindrances appeared during the saccharification process.

Process optimization and kinetics for leaching of rare earth metals from the spent Ni-metal hydride batteries.

Science.gov (United States)

Meshram, Pratima; Pandey, B D; Mankhand, T R

2016-05-01

Nickel-metal hydride batteries (Ni-MH) contain not only the base metals, but valuable rare earth metals (REMs) viz. La, Sm, Nd, Pr and Ce as well. In view of the importance of resource recycling and assured supply of the contained metals in such wastes, the present study has focussed on the leaching of the rare earth metals from the spent Ni-MH batteries. The conditions for the leaching of REMs from the spent batteries were optimized as: 2M H2SO4, 348K temperature and 120min of time at a pulp density (PD) of 100g/L. Under this condition, the leaching of 98.1% Nd, 98.4% Sm, 95.5% Pr and 89.4% Ce was achieved. Besides the rare earth metals, more than 90% of base metals (Ni, Co, Mn and Zn) were also leached out in this condition. Kinetic data for the dissolution of all the rare earth metals showed the best fit to the chemical control shrinking core model. The leaching of metals followed the mechanism involving the chemical reaction proceeding on the surface of particles by the lixiviant, which was corroborated by the XRD phase analysis and SEM-EDS studies. The activation energy of 7.6, 6.3, 11.3 and 13.5kJ/mol was acquired for the leaching of neodymium, samarium, praseodymium and cerium, respectively in the temperature range 305-348K. From the leach liquor, the mixed rare earth metals were precipitated at pH∼1.8 and the precipitated REMs was analyzed by XRD and SEM studies to determine the phases and the morphological features. Copyright © 2015. Published by Elsevier Ltd.

Kinetic Study of the Catalytic Pyrolysis of Oil-Containing Waste

Directory of Open Access Journals (Sweden)

Kirill Chalov

2016-10-01

Full Text Available Basing on the experimental data the optimal parameters of the pyrolysis of heavy and residual hydrocarbons of oil were defined as follows: temperature of 500 °С; catalyst  of CoCl2 with the catalyst loading 5% (wt. of the substrate weight. Under the optimal conditions the kinetic investigation of the pyrolysis process was carried out using the thermogravimetric method. According to the investigation, it was found that the activation energy of the catalytic pyrolysis of oil-containing waste decreased by 20-30 kJ/mol in comparison to non-catalytic process. Copyright © 2016 BCREC GROUP. All rights reserved Received: 13th July 2015; Revised: 25th March 2016; Accepted: 1st April 2016 How to Cite: Chalov, K., Lugovoy, Y., Kosivtsov, Y., Sulman, M., Sulman, E., Matveeva, V., Stepacheva, A. (2016. Kinetic Study of the Catalytic Pyrolysis of Oil-Containing Waste. Bulletin of Chemical Reaction Engineering & Catalysis, 11 (3: 330-338 (doi:10.9767/bcrec.11.3.572.330-338 Permalink/DOI: http://doi.org/10.9767/bcrec.11.3.572.330-338

Model reduction for dynamic real-time optimization of chemical processes

NARCIS (Netherlands)

Van den Berg, J.

2005-01-01

The value of models in process industries becomes apparent in practice and literature where numerous successful applications are reported. Process models are being used for optimal plant design, simulation studies, for off-line and online process optimization. For online optimization applications

Determination of kinetic constants from tests of reducibility and their application for modelling in metallurgy

International Nuclear Information System (INIS)

Pustejovska, P.; Silvie, B.

2013-01-01

The paper analyses details for renewal of the research in blast furnace process within Research Centre ENET at VSB - Technical University of Ostrava. A newly established laboratory for reducibility testing is an impuls to overcome the former limits and renew a research in its coherence after years. The paper deals with the possibilities of optimization of blast furnace operation. In the introduction, it sums up different approaches how to model blast furnace operation. It discusses the variety of optimal operation for different kinds of iron making technologies. It evaluates reduction course and reducing gas consumption in the stack of reduction aggregate. In the experimental, it creates kinetics model of blast furnace operating using Matlab mathematical library. It determines kinetic and heat limits of carbon consumption for different process conditions. (author)

Transient processes in cell proliferation kinetics

CERN Document Server

Yakovlev, Andrej Yu

1989-01-01

A mathematician who has taken the romantic decision to devote himself to biology will doubtlessly look upon cell kinetics as the most simple and natural field of application for his knowledge and skills. Indeed, the thesaurus he is to master is not so complicated as, say, in molecular biology, the structural elements of the system, i. e. ceils, have been segregated by Nature itself, simple considerations of balance may be used for deducing basic equations, and numerous analogies in other areas of science also superficial add to one"s confidence. Generally speaking, this number of impression is correct, as evidenced by the very great theoretical studies on population kinetics, unmatched in other branches of mathematical biology. This, however, does not mean that mathematical theory of cell systems has traversed in its development a pathway free of difficulties or errors. The seeming ease of formalizing the phenomena of cell kinetics not infrequently led to the appearance of mathematical models lacking in adequ...

Simulative design and process optimization of the two-stage stretch-blow molding process

Energy Technology Data Exchange (ETDEWEB)

Hopmann, Ch.; Rasche, S.; Windeck, C. [Institute of Plastics Processing at RWTH Aachen University (IKV) Pontstraße 49, 52062 Aachen (Germany)

2015-05-22

The total production costs of PET bottles are significantly affected by the costs of raw material. Approximately 70 % of the total costs are spent for the raw material. Therefore, stretch-blow molding industry intends to reduce the total production costs by an optimized material efficiency. However, there is often a trade-off between an optimized material efficiency and required product properties. Due to a multitude of complex boundary conditions, the design process of new stretch-blow molded products is still a challenging task and is often based on empirical knowledge. Application of current CAE-tools supports the design process by reducing development time and costs. This paper describes an approach to determine optimized preform geometry and corresponding process parameters iteratively. The wall thickness distribution and the local stretch ratios of the blown bottle are calculated in a three-dimensional process simulation. Thereby, the wall thickness distribution is correlated with an objective function and preform geometry as well as process parameters are varied by an optimization algorithm. Taking into account the correlation between material usage, process history and resulting product properties, integrative coupled simulation steps, e.g. structural analyses or barrier simulations, are performed. The approach is applied on a 0.5 liter PET bottle of Krones AG, Neutraubling, Germany. The investigations point out that the design process can be supported by applying this simulative optimization approach. In an optimization study the total bottle weight is reduced from 18.5 g to 15.5 g. The validation of the computed results is in progress.

Simulative design and process optimization of the two-stage stretch-blow molding process

International Nuclear Information System (INIS)

Hopmann, Ch.; Rasche, S.; Windeck, C.

2015-01-01

The total production costs of PET bottles are significantly affected by the costs of raw material. Approximately 70 % of the total costs are spent for the raw material. Therefore, stretch-blow molding industry intends to reduce the total production costs by an optimized material efficiency. However, there is often a trade-off between an optimized material efficiency and required product properties. Due to a multitude of complex boundary conditions, the design process of new stretch-blow molded products is still a challenging task and is often based on empirical knowledge. Application of current CAE-tools supports the design process by reducing development time and costs. This paper describes an approach to determine optimized preform geometry and corresponding process parameters iteratively. The wall thickness distribution and the local stretch ratios of the blown bottle are calculated in a three-dimensional process simulation. Thereby, the wall thickness distribution is correlated with an objective function and preform geometry as well as process parameters are varied by an optimization algorithm. Taking into account the correlation between material usage, process history and resulting product properties, integrative coupled simulation steps, e.g. structural analyses or barrier simulations, are performed. The approach is applied on a 0.5 liter PET bottle of Krones AG, Neutraubling, Germany. The investigations point out that the design process can be supported by applying this simulative optimization approach. In an optimization study the total bottle weight is reduced from 18.5 g to 15.5 g. The validation of the computed results is in progress

Recent developments in thermoluminescence kinetics: applications to other thermally stimulated processes

International Nuclear Information System (INIS)

Levy, P.W.

1985-01-01

Recent thermoluminescence (TL) studies indicate that many kinetic properties are not in accord with the well known 1st and 2nd order TL kinetic equations. For example, the usual equations do not describe: (1) the shape of certain single glow peaks. (2) The shape of glow peaks in many glow curves containing more than one glow peak. (3) The dependence of the peak temperature, the FWHM, the shape, and other properties on the pre-measurement dose. However, the properties of some single glow peaks are precisely described, or closely approximated by, the more general basic equation from which the usual 1st and 2nd order equations are obtained as special cases. Furthermore, glow curves containing more than one glow peak are described by a system of equations that includes interactions between different types of traps and is a straightforward extension of the general one peak equation. This system - called Interactive Kinetics - accounts for most properties, and explains many anomalies, associated with glow curves containing more than one glow peak. It is particularly convenient for computerized analysis procedures. Lastly, it is suggested that other thermally stimulated processes depend on analogous interactions and are describable by similar sets of kinetic equations that are convenient for computer analysis. 11 refs., 2 figs

Recent Progress on Data-Based Optimization for Mineral Processing Plants

Directory of Open Access Journals (Sweden)

Jinliang Ding

2017-04-01

Full Text Available In the globalized market environment, increasingly significant economic and environmental factors within complex industrial plants impose importance on the optimization of global production indices; such optimization includes improvements in production efficiency, product quality, and yield, along with reductions of energy and resource usage. This paper briefly overviews recent progress in data-driven hybrid intelligence optimization methods and technologies in improving the performance of global production indices in mineral processing. First, we provide the problem description. Next, we summarize recent progress in data-based optimization for mineral processing plants. This optimization consists of four layers: optimization of the target values for monthly global production indices, optimization of the target values for daily global production indices, optimization of the target values for operational indices, and automation systems for unit processes. We briefly overview recent progress in each of the different layers. Finally, we point out opportunities for future works in data-based optimization for mineral processing plants.

Optimization of Thermochemical, Kinetic, and Electrochemical Factors Governing Partitioning of Radionuclides During Melt Decontamination of Radioactively Contaminated Stainless Steel; TOPICAL

International Nuclear Information System (INIS)

VAN DEN AVYLE, JAMES A.; MALGAARD, DAVID; MOLECKE, MARTIN; PAL, UDAY B.; WILLIAMSON, RODNEY L.; ZHIDKOV, VASILY V.

1999-01-01

The Research Objectives of this project are to characterize and optimize the use of molten slags to melt decontaminate radioactive stainless steel scrap metal. The major focus is on optimizing the electroslag remelting (ESR) process, a widely used industrial process for stainless steels and other alloys, which can produce high quality ingots directly suitable for forging, rolling, and parts fabrication. It is our goal to have a melting process ready for a DOE D and D demonstration at the end of the third year of EMSP sponsorship, and this technology could be applied to effective stainless steel scrap recycle for internal DOE applications. It also has potential international applications. The technical approach has several elements: (1) characterize the thermodynamics and kinetics of slag/metal/contaminate reactions by models and experiments, (2) determine the capacity of slags for radioactive containment, (3) characterize the minimum levels of residual slags and contaminates in processed metal, and (4) create an experimental and model-based database on achievable levels of decontamination to support recycle applications. Much of the experimental work on this project is necessarily focused on reactions of slags with surrogate compounds which behave similar to radioactive transuranic and actinide species. This work is being conducted at three locations. At Boston University, Prof. Uday Pal's group conducts fundamental studies on electrochemical and thermochemical reactions among slags, metal, and surrogate contaminate compounds. The purpose of this work is to develop a detailed understanding of reactions in slags through small laboratory scale experiments and modeling. At Sandia, this fundamental information is applied to the design of electroslag melting experiments with surrogates to produce and characterize metal ingots. In addition, ESR furnace conditions are characterized, and both thermodynamic and ESR process models are utilized to optimize the process. To

[Imaging center - optimization of the imaging process].

Science.gov (United States)

Busch, H-P

2013-04-01

Hospitals around the world are under increasing pressure to optimize the economic efficiency of treatment processes. Imaging is responsible for a great part of the success but also of the costs of treatment. In routine work an excessive supply of imaging methods leads to an "as well as" strategy up to the limit of the capacity without critical reflection. Exams that have no predictable influence on the clinical outcome are an unjustified burden for the patient. They are useless and threaten the financial situation and existence of the hospital. In recent years the focus of process optimization was exclusively on the quality and efficiency of performed single examinations. In the future critical discussion of the effectiveness of single exams in relation to the clinical outcome will be more important. Unnecessary exams can be avoided, only if in addition to the optimization of single exams (efficiency) there is an optimization strategy for the total imaging process (efficiency and effectiveness). This requires a new definition of processes (Imaging Pathway), new structures for organization (Imaging Center) and a new kind of thinking on the part of the medical staff. Motivation has to be changed from gratification of performed exams to gratification of process quality (medical quality, service quality, economics), including the avoidance of additional (unnecessary) exams. © Georg Thieme Verlag KG Stuttgart · New York.

Presenting a new kinetic model for methanol to light olefins reactions over a hierarchical SAPO-34 catalyst using the Langmuir-Hinshelwood-Hougen-Watson mechanism

Science.gov (United States)

Javad Azarhoosh, Mohammad; Halladj, Rouein; Askari, Sima

2017-10-01

In this study, a new kinetic model for methanol to light olefins (MTO) reactions over a hierarchical SAPO-34 catalyst using the Langmuir-Hinshelwood-Hougen-Watson (LHHW) mechanism was presented and the kinetic parameters was obtained using a genetic algorithm (GA) and genetic programming (GP). Several kinetic models for the MTO reactions have been presented. However, due to the complexity of the reactions, most reactions are considered lumped and elementary, which cannot be deemed a completely accurate kinetic model of the process. Therefore, in this study, the LHHW mechanism is presented as kinetic models of MTO reactions. Because of the non-linearity of the kinetic models and existence of many local optimal points, evolutionary algorithms (GA and GP) are used in this study to estimate the kinetic parameters in the rate equations. Via the simultaneous connection of the code related to modelling the reactor and the GA and GP codes in the MATLAB R2013a software, optimization of the kinetic models parameters was performed such that the least difference between the results from the kinetic models and experiential results was obtained and the best kinetic parameters of MTO process reactions were achieved. A comparison of the results from the model with experiential results showed that the present model possesses good accuracy.

Power Consumption Optimization in Tooth Gears Processing

Science.gov (United States)

Kanatnikov, N.; Harlamov, G.; Kanatnikova, P.; Pashmentova, A.

2018-01-01

The paper reviews the issue of optimization of technological process of tooth gears production of the power consumption criteria. The authors dwell on the indices used for cutting process estimation by the consumed energy criteria and their applicability in the analysis of the toothed wheel production process. The inventors proposed a method for optimization of power consumptions based on the spatial modeling of cutting pattern. The article is aimed at solving the problem of effective source management in order to achieve economical and ecological effect during the mechanical processing of toothed gears. The research was supported by Russian Science Foundation (project No. 17-79-10316).

A Taguchi approach on optimal process control parameters for HDPE pipe extrusion process

Science.gov (United States)

Sharma, G. V. S. S.; Rao, R. Umamaheswara; Rao, P. Srinivasa

2017-06-01

High-density polyethylene (HDPE) pipes find versatile applicability for transportation of water, sewage and slurry from one place to another. Hence, these pipes undergo tremendous pressure by the fluid carried. The present work entails the optimization of the withstanding pressure of the HDPE pipes using Taguchi technique. The traditional heuristic methodology stresses on a trial and error approach and relies heavily upon the accumulated experience of the process engineers for determining the optimal process control parameters. This results in setting up of less-than-optimal values. Hence, there arouse a necessity to determine optimal process control parameters for the pipe extrusion process, which can ensure robust pipe quality and process reliability. In the proposed optimization strategy, the design of experiments (DoE) are conducted wherein different control parameter combinations are analyzed by considering multiple setting levels of each control parameter. The concept of signal-to-noise ratio ( S/ N ratio) is applied and ultimately optimum values of process control parameters are obtained as: pushing zone temperature of 166 °C, Dimmer speed at 08 rpm, and Die head temperature to be 192 °C. Confirmation experimental run is also conducted to verify the analysis and research result and values proved to be in synchronization with the main experimental findings and the withstanding pressure showed a significant improvement from 0.60 to 1.004 Mpa.

Process control and optimization with simple interval calculation method

DEFF Research Database (Denmark)

Pomerantsev, A.; Rodionova, O.; Høskuldsson, Agnar

2006-01-01

for the quality improvement in the course of production. The latter is an active quality optimization, which takes into account the actual history of the process. The advocate approach is allied to the conventional method of multivariate statistical process control (MSPC) as it also employs the historical process......Methods of process control and optimization are presented and illustrated with a real world example. The optimization methods are based on the PLS block modeling as well as on the simple interval calculation methods of interval prediction and object status classification. It is proposed to employ...... the series of expanding PLS/SIC models in order to support the on-line process improvements. This method helps to predict the effect of planned actions on the product quality and thus enables passive quality control. We have also considered an optimization approach that proposes the correcting actions...

Process optimization of friction stir welding based on thermal models

DEFF Research Database (Denmark)

Larsen, Anders Astrup

2010-01-01

This thesis investigates how to apply optimization methods to numerical models of a friction stir welding process. The work is intended as a proof-of-concept using different methods that are applicable to models of high complexity, possibly with high computational cost, and without the possibility...... information of the high-fidelity model. The optimization schemes are applied to stationary thermal models of differing complexity of the friction stir welding process. The optimization problems considered are based on optimizing the temperature field in the workpiece by finding optimal translational speed....... Also an optimization problem based on a microstructure model is solved, allowing the hardness distribution in the plate to be optimized. The use of purely thermal models represents a simplification of the real process; nonetheless, it shows the applicability of the optimization methods considered...

Quantum field kinetics of QCD quark-gluon transport theory for light-cone dominated processes

CERN Document Server

Kinder-Geiger, Klaus

1996-01-01

A quantum kinetic formalism is developed to study the dynamical interplay of quantum and statistical-kinetic properties of non-equilibrium multi-parton systems produced in high-energy QCD processes. The approach provides the means to follow the quantum dynamics in both space-time and energy-momentum, starting from an arbitrary initial configuration of high-momentum quarks and gluons. Using a generalized functional integral representation and adopting the `closed-time-path' Green function techniques, a self-consistent set of equations of motions is obtained: a Ginzburg-Landau equation for a possible color background field, and Dyson-Schwinger equations for the 2-point functions of the gluon and quark fields. By exploiting the `two-scale nature' of light-cone dominated QCD processes, i.e. the separation between the quantum scale that specifies the range of short-distance quantum fluctuations, and the kinetic scale that characterizes the range of statistical binary inter- actions, the quantum-field equations of ...

The effect of the phase composition of compound layer on the growth kinetics of the nitrided layer

International Nuclear Information System (INIS)

Ratajski, J.; Olik, R.; Suszko, T.; Tacikowski, J.

2001-01-01

This paper presents a part of research work on the kinetics of formation and growth of nitrided layers on 40HM steel that was conducted within the research project devoted to the control of gaseous nitriding processes. The purpose of the research was to find answers to still opened questions connected with the optimization of the growth kinetics of nitrided layer. It has been demonstrated in particular how important in diffusion layer kinetics of growth on steel is the role-played by compound layer phase composition. Mainly, this refers to designing changes of parameters in processes where accurate formation of layer on precise parts with required tolerance of size changes is demanded. It comes out of the presented research that proper diffusion layer growth kinetics can be achieved when phase ε dominates in the compound layer. This domination of the phase ε influences speed of growth of the compound layer and first of all growth of diffusion layer. The obtained results are also a starting point of for working-out of good functional relations which could create good basis for design of algorithms of potential values changes in the function of the process time which provides the optimal kinetics of the growth of the layers. In this respect it has been achieved very good qualitative relation between the simulated distribution of nitrogen concentration in the layer and experimentally established distribution of hardness. (author)

Kinetic modeling of simultaneous saccharification and fermentation of corn starch for ethanol production.

Science.gov (United States)

Białas, Wojciech; Czerniak, Adrian; Szymanowska-Powałowska, Daria

2014-01-01

Fuel ethanol production, using a simultaneous saccharification and fermentation process (SSF) of native starch from corn flour, has been performed using Saccharomyces cerevisiae and a granular starch hydrolyzing enzyme. The quantitative effects of mash concentration, enzyme dose and pH were investigated with the use of a Box-Wilson central composite design protocol. Proceeding from results obtained in optimal fermentation conditions, a kinetics model relating the utilization rates of starch and glucose as well as the production rates of ethanol and biomass was tested. Moreover, scanning electron microscopy (SEM) was applied to investigate corn starch granule surface after the SFF process. A maximum ethanol concentration of 110.36 g/l was obtained for native corn starch using a mash concentration of 25%, which resulted in ethanol yield of 85.71%. The optimal conditions for the above yield were found with an enzyme dose of 2.05 ml/kg and pH of 5.0. These results indicate that by using a central composite design, it is possible to determine optimal values of the fermentation parameters for maximum ethanol production. The investigated kinetics model can be used to describe SSF process conducted with granular starch hydrolyzing enzymes. The SEM micrographs reveal randomly distributed holes on the surface of granules.

Non-equilibrium reacting gas flows kinetic theory of transport and relaxation processes

CERN Document Server

Nagnibeda, Ekaterina; Nagnibeda, Ekaterina

2009-01-01

This volume develops the kinetic theory of transport phenomena and relaxation processes in the flows of reacting gas mixtures. The theory is applied to the modeling of non-equilibrium flows behind strong shock waves, in the boundary layer, and in nozzles.

Energy optimization of bread baking process undergoing quality constraints

International Nuclear Information System (INIS)

Papasidero, Davide; Pierucci, Sauro; Manenti, Flavio

2016-01-01

International home energy rating regulations are forcing to use efficient cooking equipment and processes towards energy saving and sustainability. For this reason gas ovens are replaced by the electric ones, to get the highest energy rating. Due to this fact, the study of the technologies related to the energy efficiency in cooking is increasingly developing. Indeed, big industries are working to the energy optimization of their processes since decades, while there is still a lot of room in energy optimization of single household appliances. The achievement of a higher efficiency can have a big impact on the society only if the use of modern equipment gets widespread. The combination of several energy sources (e.g. forced convection, irradiation, microwave, etc.) and their optimization is an emerging target for oven manufacturers towards optimal oven design. In this work, an energy consumption analysis and optimization is applied to the case of bread baking. Each source of energy gets the due importance and the process conditions are compared. A basic quality standard is guaranteed by taking into account some quality markers, which are relevant based on a consumer viewpoint. - Highlights: • Energy optimization is based on a validated finite-element model for bread baking. • Quality parameters for the product acceptability are introduced as constraints. • Dynamic optimization leads to 20% energy saving compared to non-optimized case. • The approach is applicable to many products, quality parameters, thermal processes. • Other heating processes can be easily integrated in the presented model.

Advanced Process Control Application and Optimization in Industrial Facilities

Directory of Open Access Journals (Sweden)

Howes S.

2015-01-01

Full Text Available This paper describes application of the new method and tool for system identification and PID tuning/advanced process control (APC optimization using the new 3G (geometric, gradient, gravity optimization method. It helps to design and implement control schemes directly inside the distributed control system (DCS or programmable logic controller (PLC. Also, the algorithm helps to identify process dynamics in closed-loop mode, optimizes controller parameters, and helps to develop adaptive control and model-based control (MBC. Application of the new 3G algorithm for designing and implementing APC schemes is presented. Optimization of primary and advanced control schemes stabilizes the process and allows the plant to run closer to process, equipment and economic constraints. This increases production rates, minimizes operating costs and improves product quality.

Reaction kinetics for preparation of silica film with Stoeber method

International Nuclear Information System (INIS)

Shang Mengying; Jiang Xiaodong; Liu Miao; Luo Xuan; Tang Yongjian; Cao Linhong

2013-01-01

A new formula was proposed to investigate the relationship between reaction time and tetraethylorthosilicate (TEOS) conversion rate for preparation of silica sol with Stöber method, by studying the reaction kinetics of TEOS hydrolytic process. An appropriate conversion rate was then determined and used to calculate the theoretical optimal reaction time. Meanwhile, silica sols were prepared by sol-gel process using TEOS as precursor and ammonia as catalyst. It was found that the reaction time decreases with an increasing amount of ammonia and water. The values of experimental optimal reaction time were obtained, and agree with the theoretical results (the errors are within 5%), which shows good applicability of our formula. (authors)

Hamiltonian kinetic theory of plasma ponderomotive processes

International Nuclear Information System (INIS)

McDonald, S.W.; Kaufman, A.N.

1981-12-01

The nonlinear nonresonant interaction of plasma waves and particles is formulated in a Hamiltonian kinetic theory which treats the wave-action and particle distributions on an equal footing, thereby displaying reciprocity relations. In the quasistatic limit, a nonlinear wave-kinetic equation is obtained. The generality of the formalism allows for applications to arbitrary geometry, with the nonlinear effects expressed in terms of the linear susceptibility

Hamiltonian kinetic theory of plasma ponderomotive processes

International Nuclear Information System (INIS)

McDonald, S.W.; Kaufman, A.N.

1982-01-01

The nonlinear nonresonant interaction of plasma waves and particles is formulated in Hamiltonian kinetic theory which treats the wave-action and particle distributions on an equal footing, thereby displaying reciprocity relations. In the quasistatic limit, a nonlinear wave-kinetic equation is obtained. The generality of the formalism allows for applications to arbitrary geometry, with the nonlinear effects expressed in terms of the linear susceptibility

Optimization of thermal processing of canned mussels.

Science.gov (United States)

Ansorena, M R; Salvadori, V O

2011-10-01

The design and optimization of thermal processing of solid-liquid food mixtures, such as canned mussels, requires the knowledge of the thermal history at the slowest heating point. In general, this point does not coincide with the geometrical center of the can, and the results show that it is located along the axial axis at a height that depends on the brine content. In this study, a mathematical model for the prediction of the temperature at this point was developed using the discrete transfer function approach. Transfer function coefficients were experimentally obtained, and prediction equations fitted to consider other can dimensions and sampling interval. This model was coupled with an optimization routine in order to search for different retort temperature profiles to maximize a quality index. Both constant retort temperature (CRT) and variable retort temperature (VRT; discrete step-wise and exponential) were considered. In the CRT process, the optimal retort temperature was always between 134 °C and 137 °C, and high values of thiamine retention were achieved. A significant improvement in surface quality index was obtained for optimal VRT profiles compared to optimal CRT. The optimization procedure shown in this study produces results that justify its utilization in the industry.

Investigations into the process kinetics of immobilized microorganisms

Energy Technology Data Exchange (ETDEWEB)

Voss, H; Geipel, F

1987-01-01

The authors present a population-structured process model of ethanol production by S. cerevisiae cells fixed in Ca alginate. Experiments were made in discontinuous and continuous fluidized-bed reactors. Living cells, both reproductive and non-reproductive, are distinguished from dead cells in the segregated reactor model. The rates of cell state change are described as a function of the ethanol concentration. The growth rate is described by a Monod model extended by inhibition functions and supplemented by a cell inhibition function. Product formation comprises a growth-associated component and a non-associated component resulting from the endogenous and maintenance metabolism. Further, a cell discharge rate from the gel is considered which is dependent both on growth and on the biomass concentration. The simulation of process kinetics and reactor dynamics with an optimum parameter vector shows an excellent adaptation for all experiments.

First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study.

Science.gov (United States)

Van Speybroeck, Veronique; De Wispelaere, Kristof; Van der Mynsbrugge, Jeroen; Vandichel, Matthias; Hemelsoet, Karen; Waroquier, Michel

2014-11-07

To optimally design next generation catalysts a thorough understanding of the chemical phenomena at the molecular scale is a prerequisite. Apart from qualitative knowledge on the reaction mechanism, it is also essential to be able to predict accurate rate constants. Molecular modeling has become a ubiquitous tool within the field of heterogeneous catalysis. Herein, we review current computational procedures to determine chemical kinetics from first principles, thus by using no experimental input and by modeling the catalyst and reacting species at the molecular level. Therefore, we use the methanol-to-olefin (MTO) process as a case study to illustrate the various theoretical concepts. This process is a showcase example where rational design of the catalyst was for a long time performed on the basis of trial and error, due to insufficient knowledge of the mechanism. For theoreticians the MTO process is particularly challenging as the catalyst has an inherent supramolecular nature, for which not only the Brønsted acidic site is important but also organic species, trapped in the zeolite pores, must be essentially present during active catalyst operation. All these aspects give rise to specific challenges for theoretical modeling. It is shown that present computational techniques have matured to a level where accurate enthalpy barriers and rate constants can be predicted for reactions occurring at a single active site. The comparison with experimental data such as apparent kinetic data for well-defined elementary reactions has become feasible as current computational techniques also allow predicting adsorption enthalpies with reasonable accuracy. Real catalysts are truly heterogeneous in a space- and time-like manner. Future theory developments should focus on extending our view towards phenomena occurring at longer length and time scales and integrating information from various scales towards a unified understanding of the catalyst. Within this respect molecular

Influence of oxalic acid on the dissolution kinetics of manganese oxide

Science.gov (United States)

Godunov, E. B.; Artamonova, I. V.; Gorichev, I. G.; Lainer, Yu. A.

2012-11-01

The kinetics and electrochemical processes of the dissolution of manganese oxides with various oxidation states in sulfuric acid solutions containing oxalate ion additives is studied under variable conditions (concentration, pH, temperature). The parameters favoring a higher degree of the dissolution of manganese oxides in acidic media are determined. The optimal conditions are found for the dissolution of manganese oxides in acidic media in the presence of oxalate ions. The mechanism proposed for the dissolution of manganese oxides in sulfuric acid solutions containing oxalic acid is based on the results of kinetic and electrochemical studies. The steps of the dissolution mechanism are discussed.

Simulation and optimization of a coking wastewater biological treatment process by activated sludge models (ASM).

Science.gov (United States)

Wu, Xiaohui; Yang, Yang; Wu, Gaoming; Mao, Juan; Zhou, Tao

2016-01-01

Applications of activated sludge models (ASM) in simulating industrial biological wastewater treatment plants (WWTPs) are still difficult due to refractory and complex components in influents as well as diversity in activated sludges. In this study, an ASM3 modeling study was conducted to simulate and optimize a practical coking wastewater treatment plant (CWTP). First, respirometric characterizations of the coking wastewater and CWTP biomasses were conducted to determine the specific kinetic and stoichiometric model parameters for the consecutive aeration-anoxic-aeration (O-A/O) biological process. All ASM3 parameters have been further estimated and calibrated, through cross validation by the model dynamic simulation procedure. Consequently, an ASM3 model was successfully established to accurately simulate the CWTP performances in removing COD and NH4-N. An optimized CWTP operation condition could be proposed reducing the operation cost from 6.2 to 5.5 €/m(3) wastewater. This study is expected to provide a useful reference for mathematic simulations of practical industrial WWTPs. Copyright © 2015 Elsevier Ltd. All rights reserved.

A kinetic reaction model for biomass pyrolysis processes in Aspen Plus

International Nuclear Information System (INIS)

Peters, Jens F.; Banks, Scott W.; Bridgwater, Anthony V.; Dufour, Javier

2017-01-01

Highlights: • Predictive kinetic reaction model applicable to any lignocellulosic feedstock. • Calculates pyrolysis yields and product composition as function of reactor conditions. • Detailed modelling of product composition (33 model compounds for the bio-oil). • Good agreement with literature regarding yield curves and product composition. • Successful validation with pyrolysis experiments in bench scale fast pyrolysis rig. - Abstract: This paper presents a novel kinetic reaction model for biomass pyrolysis processes. The model is based on the three main building blocks of lignocellulosic biomass, cellulose, hemicellulose and lignin and can be readily implemented in Aspen Plus and easily adapted to other process simulation software packages. It uses a set of 149 individual reactions that represent the volatilization, decomposition and recomposition processes of biomass pyrolysis. A linear regression algorithm accounts for the secondary pyrolysis reactions, thus allowing the calculation of slow and intermediate pyrolysis reactions. The bio-oil is modelled with a high level of detail, using up to 33 model compounds, which allows for a comprehensive estimation of the properties of the bio-oil and the prediction of further upgrading reactions. After showing good agreement with existing literature data, our own pyrolysis experiments are reported for validating the reaction model. A beech wood feedstock is subjected to pyrolysis under well-defined conditions at different temperatures and the product yields and compositions are determined. Reproducing the experimental pyrolysis runs with the simulation model, a high coincidence is found for the obtained fraction yields (bio-oil, char and gas), for the water content and for the elemental composition of the pyrolysis products. The kinetic reaction model is found to be suited for predicting pyrolysis yields and product composition for any lignocellulosic biomass feedstock under typical pyrolysis conditions

Equilibrium, kinetic and thermodynamic studies of uranium biosorption by calcium alginate beads

International Nuclear Information System (INIS)

Bai, Jing; Fan, Fangli; Wu, Xiaolei; Tian, Wei; Zhao, Liang; Yin, Xiaojie; Fan, Fuyou; Li, Zhan; Tian, Longlong; Wang, Yang; Qin, Zhi; Guo, Junsheng

2013-01-01

Calcium alginate beads are potential biosorbent for radionuclides removal as they contain carboxyl groups. However, until now limited information is available concerning the uptake behavior of uranium by this polymer gel, especially when sorption equilibrium, kinetics and thermodynamics are concerned. In present work, batch experiments were carried out to study the equilibrium, kinetics and thermodynamics of uranium sorption by calcium alginate beads. The effects of initial solution pH, sorbent amount, initial uranium concentration and temperature on uranium sorption were also investigated. The determined optimal conditions were: initial solution pH of 3.0, added sorbent amount of 40 mg, and uranium sorption capacity increased with increasing initial uranium concentration and temperature. Equilibrium data obtained under different temperatures were fitted better with Langmuir model than Freundlich model, uranium sorption was dominated by a monolayer way. The kinetic data can be well depicted by the pseudo-second-order kinetic model. The activation energy derived from Arrhenius equation was 30.0 kJ/mol and the sorption process had a chemical nature. Thermodynamic constants such as ΔH 0 , ΔS 0 and ΔG 0 were also evaluated, results of thermodynamic study showed that the sorption process was endothermic and spontaneous. -- Highlights: • Equilibrium, kinetics and thermodynamics of uranium sorption by CaAlg were studied. • Equilibrium studies show that Langmuir isotherm better fit with experimental data. • Pseudo-second-order kinetics model is found to be well depicting the kinetic data. • Thermodynamic study shows that the sorption process is endothermic and spontaneous

Tank Waste Remediation System optimized processing strategy

International Nuclear Information System (INIS)

Slaathaug, E.J.; Boldt, A.L.; Boomer, K.D.; Galbraith, J.D.; Leach, C.E.; Waldo, T.L.

1996-03-01

This report provides an alternative strategy evolved from the current Hanford Site Tank Waste Remediation System (TWRS) programmatic baseline for accomplishing the treatment and disposal of the Hanford Site tank wastes. This optimized processing strategy performs the major elements of the TWRS Program, but modifies the deployment of selected treatment technologies to reduce the program cost. The present program for development of waste retrieval, pretreatment, and vitrification technologies continues, but the optimized processing strategy reuses a single facility to accomplish the separations/low-activity waste (LAW) vitrification and the high-level waste (HLW) vitrification processes sequentially, thereby eliminating the need for a separate HLW vitrification facility

Optimization of lime treatment processes

International Nuclear Information System (INIS)

Zinck, J. M.; Aube, B. C.

2000-01-01

Lime neutralization technology used in the treatment of acid mine drainage and other acidic effluents is discussed. Theoretical studies and laboratory experiments designed to optimize the technology of lime neutralization processes and to improve the cost efficiency of the treatment process are described. Effluent quality, slaking temperature, aeration, solid-liquid separation, sludge production and geochemical stability have been studied experimentally and on site. Results show that through minor modification of the treatment process, costs, sludge volume generated, and metal released to the environment can be significantly reduced. 17 refs., 4 figs

Bidirectional optimization of the melting spinning process.

Science.gov (United States)

Liang, Xiao; Ding, Yongsheng; Wang, Zidong; Hao, Kuangrong; Hone, Kate; Wang, Huaping

2014-02-01

A bidirectional optimizing approach for the melting spinning process based on an immune-enhanced neural network is proposed. The proposed bidirectional model can not only reveal the internal nonlinear relationship between the process configuration and the quality indices of the fibers as final product, but also provide a tool for engineers to develop new fiber products with expected quality specifications. A neural network is taken as the basis for the bidirectional model, and an immune component is introduced to enlarge the searching scope of the solution field so that the neural network has a larger possibility to find the appropriate and reasonable solution, and the error of prediction can therefore be eliminated. The proposed intelligent model can also help to determine what kind of process configuration should be made in order to produce satisfactory fiber products. To make the proposed model practical to the manufacturing, a software platform is developed. Simulation results show that the proposed model can eliminate the approximation error raised by the neural network-based optimizing model, which is due to the extension of focusing scope by the artificial immune mechanism. Meanwhile, the proposed model with the corresponding software can conduct optimization in two directions, namely, the process optimization and category development, and the corresponding results outperform those with an ordinary neural network-based intelligent model. It is also proved that the proposed model has the potential to act as a valuable tool from which the engineers and decision makers of the spinning process could benefit.

Process optimization and particle engineering of micronized drug powders via milling.

Science.gov (United States)

Brunaugh, A; Smyth, H D C

2017-11-13

Process control and optimization is a critical aspect of process analytical technology (PAT), quality by design (QbD), and the implementation of continuous manufacturing procedures. While process control and optimization techniques have been utilized in other manufacturing industries for decades, the pharmaceutical industry has only recently begun to adopt these procedures. Micronization, particularly milling, is a generally low-yield, high-energy consumption process that is well suited for a process optimization mindset. This review discusses optimization of the pharmaceutical milling process through design space development, theoretical and empirical modeling, and monitoring of critical quality attributes.

A generalized disjunctive programming framework for the optimal synthesis and analysis of processes for ethanol production from corn stover.

Science.gov (United States)

Scott, Felipe; Aroca, Germán; Caballero, José Antonio; Conejeros, Raúl

2017-07-01

The aim of this study is to analyze the techno-economic performance of process configurations for ethanol production involving solid-liquid separators and reactors in the saccharification and fermentation stage, a family of process configurations where few alternatives have been proposed. Since including these process alternatives creates a large number of possible process configurations, a framework for process synthesis and optimization is proposed. This approach is supported on kinetic models fed with experimental data and a plant-wide techno-economic model. Among 150 process configurations, 40 show an improved MESP compared to a well-documented base case (BC), almost all include solid separators and some show energy retrieved in products 32% higher compared to the BC. Moreover, 16 of them also show a lower capital investment per unit of ethanol produced per year. Several of the process configurations found in this work have not been reported in the literature. Copyright © 2017 Elsevier Ltd. All rights reserved.

Adsorption of saturated fatty acid in urea complexation: Kinetics and equilibrium studies

Science.gov (United States)

Setyawardhani, Dwi Ardiana; Sulistyo, Hary; Sediawan, Wahyudi Budi; Fahrurrozi, Mohammad

2018-02-01

Urea complexation is fractionation process for concentrating poly-unsaturated fatty acids (PUFAs) from vegetable oil or animal fats. For process design and optimization in commercial industries, it is necessary to provide kinetics and equilibrium data. Urea inclusion compounds (UICs) as the product is a unique complex form which one molecule (guest) is enclosed within another molecule (host). In urea complexation, the guest-host bonding exists between saturated fatty acids (SFAs) and crystalline urea. This research studied the complexation is analogous to an adsorption process. The Batch adsorption process was developed to obtain the experimental data. The ethanolic urea solution was mixed with SFA in certain compositions and adsorption times. The mixture was heated until it formed homogenous and clear solution, then it cooled very slowly until the first numerous crystal appeared. Adsorption times for the kinetic data were determined since the crystal formed. The temperature was maintained constant at room temperature. Experimental sets of data were observed with adsorption kinetics and equilibrium models. High concentration of saturated fatty acid (SFA) was used to represent adsorption kinetics and equilibrium parameters. Kinetic data were examined with pseudo first-order, pseudo second-order and intra particle diffusion models. Linier, Freundlich and Langmuir isotherm were used to study the equilibrium model of this adsorption. The experimental data showed that SFA adsorption in urea crystal followed pseudo second-order model. The compatibility of the data with Langmuir isotherm showed that urea complexation was a monolayer adsorption.

A kinetic model for the burst phase of processive cellulases

DEFF Research Database (Denmark)

Præstgaard, Eigil; Olsen, Jens Elmerdahl; Murphy, Leigh

2011-01-01

. This approach generally accounts well for the initial time course (approximately 1 h) of the hydrolysis. We suggest that the models will be useful in attempts to rationalize the initial kinetics of processive cellulases, and demonstrate their application to some open questions, including the effect of repeated......Cellobiohydrolases (exocellulases) hydrolyze cellulose processively, i.e. by sequential cleaving of soluble sugars from one end of a cellulose strand. Their activity generally shows an initial burst, followed by a pronounced slowdown, even when substrate is abundant and product accumulation...... of the model, which can be solved analytically, shows that the burst and slowdown can be explained by the relative rates of the sequential reactions in the hydrolysis process and the occurrence of obstacles for the processive movement along the cellulose strand. More specifically, the maximum enzyme activity...

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multi-zone Reaction Kinetics: Model Derivation and Validation

Science.gov (United States)

Rout, Bapin Kumar; Brooks, Geoff; Rhamdhani, M. Akbar; Li, Zushu; Schrama, Frank N. H.; Sun, Jianjun

2018-04-01

A multi-zone kinetic model coupled with a dynamic slag generation model was developed for the simulation of hot metal and slag composition during the basic oxygen furnace (BOF) operation. The three reaction zones (i) jet impact zone, (ii) slag-bulk metal zone, (iii) slag-metal-gas emulsion zone were considered for the calculation of overall refining kinetics. In the rate equations, the transient rate parameters were mathematically described as a function of process variables. A micro and macroscopic rate calculation methodology (micro-kinetics and macro-kinetics) were developed to estimate the total refining contributed by the recirculating metal droplets through the slag-metal emulsion zone. The micro-kinetics involves developing the rate equation for individual droplets in the emulsion. The mathematical models for the size distribution of initial droplets, kinetics of simultaneous refining of elements, the residence time in the emulsion, and dynamic interfacial area change were established in the micro-kinetic model. In the macro-kinetics calculation, a droplet generation model was employed and the total amount of refining by emulsion was calculated by summing the refining from the entire population of returning droplets. A dynamic FetO generation model based on oxygen mass balance was developed and coupled with the multi-zone kinetic model. The effect of post-combustion on the evolution of slag and metal composition was investigated. The model was applied to a 200-ton top blowing converter and the simulated value of metal and slag was found to be in good agreement with the measured data. The post-combustion ratio was found to be an important factor in controlling FetO content in the slag and the kinetics of Mn and P in a BOF process.

The optimization, kinetics and mechanism of m-cresol degradation via catalytic wet peroxide oxidation with sludge-derived carbon catalyst

Energy Technology Data Exchange (ETDEWEB)

Wang, Yamin [Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Wei, Huangzhao; Zhao, Ying [Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Sun, Wenjing [Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Sun, Chenglin, E-mail: clsun@dicp.ac.cn [Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)

2017-03-15

Highlights: • The sludge derived carbon modified with 0 °C acid was used as catalyst in CWPO. • RSM was used to optimize CWPO reaction conditions of m-cresol for the first time. • The kinetic model was disclosed to be correlated with residue target concentration. • The proposed degradation pathways of m-cresol were well proven by DFT method. - Abstract: The sludge-derived carbon catalyst modified with 0 °C HNO{sub 3} solution was tested in catalytic wet peroxide oxidation of m-cresol (100 mg L{sup −1}) with systematical mathematical models and theoretical calculation for the first time. The reaction conditions were optimized by response surface methodology (RSM) as T = 60 °C, initial pH = 3.0, C{sub 0,H2O2(30%)} = 1.20 g L{sup −1} (lower than the stoichiometric amount of 1.80 g L{sup −1}) and C{sub cat} = 0.80 g L{sup −1}, with 96% of m-cresol and 47% of TOC converted after 16 min and 120 min of reaction, respectively, and ξ (mg TOC/g H{sub 2}O{sub 2} fed) = 83.6 mg/g. The end time of the first kinetic period in m-cresol model was disclosed to be correlated with the fixed residue m-cresol concentration of about 33%. Furthermore, the kinetic constants in models of TOC and H{sub 2}O{sub 2} exactly provide convincing proof of three-dimensional response surfaces analysis by RSM, which showed the influence of the interaction between organics and H{sub 2}O{sub 2} on effective H{sub 2}O{sub 2} utilization. The reaction intermediates over time were identified by gas chromatography–mass spectrometer based on kinetics analysis. Four degradation pathways for m-cresol were proposed, of which the possibility and feasibility were well proven by frontier molecule orbital theory and atomic charge distribution via density functional theory method.

Kinetic theory of age-structured stochastic birth-death processes

Science.gov (United States)

Greenman, Chris D.; Chou, Tom

2016-01-01

Classical age-structured mass-action models such as the McKendrick-von Foerster equation have been extensively studied but are unable to describe stochastic fluctuations or population-size-dependent birth and death rates. Stochastic theories that treat semi-Markov age-dependent processes using, e.g., the Bellman-Harris equation do not resolve a population's age structure and are unable to quantify population-size dependencies. Conversely, current theories that include size-dependent population dynamics (e.g., mathematical models that include carrying capacity such as the logistic equation) cannot be easily extended to take into account age-dependent birth and death rates. In this paper, we present a systematic derivation of a new, fully stochastic kinetic theory for interacting age-structured populations. By defining multiparticle probability density functions, we derive a hierarchy of kinetic equations for the stochastic evolution of an aging population undergoing birth and death. We show that the fully stochastic age-dependent birth-death process precludes factorization of the corresponding probability densities, which then must be solved by using a Bogoliubov--Born--Green--Kirkwood--Yvon-like hierarchy. Explicit solutions are derived in three limits: no birth, no death, and steady state. These are then compared with their corresponding mean-field results. Our results generalize both deterministic models and existing master equation approaches by providing an intuitive and efficient way to simultaneously model age- and population-dependent stochastic dynamics applicable to the study of demography, stem cell dynamics, and disease evolution.

Use of Experimental Design for Peuhl Cheese Process Optimization ...

African Journals Online (AJOL)

Use of Experimental Design for Peuhl Cheese Process Optimization. ... Journal of Applied Sciences and Environmental Management ... This work consisting in use of a central composite design enables the determination of optimal process conditions concerning: leaf extract volume added (7 mL), heating temperature ...

Multi-stage and multi-response process optimization in Taguchi ...

African Journals Online (AJOL)

Product quality is all about reducing variations of key performance indicators. However, product manufacturing often, requires multiple processes with multiple indicators, which make reducing variation a complex task. There are tools used to optimize a single stage process independently which ensure local optimization ...

Fungal bioleaching of WPCBs using Aspergillus niger: Observation, optimization and kinetics.

Science.gov (United States)

Faraji, Fariborz; Golmohammadzadeh, Rabeeh; Rashchi, Fereshteh; Alimardani, Navid

2018-07-01

In this study, Aspergillus niger (A. niger) as an environmentally friendly agent for fungal bioleaching of waste printed circuit boards (WPCBs) was employed. D-optimal response surface methodology (RSM) was utilized for optimization of the bioleaching parameters including bioleaching method (one step, two step and spent medium) and pulp densities (0.5 g L -1 to 20 g L -1 ) to maximize the recovery of Zn, Ni and Cu from WPCBs. According to the high performance liquid chromatography analysis, citric, oxalic, malic and gluconic acids were the most abundant organic acids produced by A.niger in 21 days experiments. Maximum recoveries of 98.57% of Zn, 43.95% of Ni and 64.03% of Cu were achieved based on acidolysis and complexolysis dissolution mechanisms of organic acids. Based on the kinetic studies, the rate controlling mechanism for Zn dissolution at one step approach was found to be diffusion through liquid film, while it was found to be mixed control for both two step and spent medium. Furthermore, rate of Cu dissolution which is controlled by diffusion in one step and two step approaches, detected to be controlled by chemical reaction at spent medium. It was shown that for Ni, the rate is controlled by chemical reaction for all the methods studied. Eventually, it was understood that A. niger is capable of leaching 100% of Zn, 80.39% of Ni and 85.88% of Cu in 30 days. Copyright © 2018 Elsevier Ltd. All rights reserved.

Kinetics of glycoalkaloid hydrolysis and solanidine extraction in liquid-liquid systems

Directory of Open Access Journals (Sweden)

Stanković Mihajlo Z.

2002-01-01

Full Text Available The kinetics of glycoalkaloid hydrolysis and solanidine extraction in Analyzed in this study. obtained from dried and milled potato haulm to to which hydrochlotic acid was added is the first liquid phase, while chloroform trichloroethylene or carbon tetrachlondeisthe second organic, liquid phase. The purpose of this paper was to combine the processes of glycoalkaloid hydrolysis to solanidine and solanidine extraction into one step, and to find the optimal liquid-liquid system for such a process.

Kinetic models for irreversible processes on a lattice

Energy Technology Data Exchange (ETDEWEB)

Wolf, N.O.

1979-04-01

The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism.

Kinetic models for irreversible processes on a lattice

International Nuclear Information System (INIS)

Wolf, N.O.

1979-04-01

The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism

Are We There Yet? Applying Thermodynamic and Kinetic Profiling on Embryonic Ectoderm Development (EED) Hit-to-Lead Program.

Science.gov (United States)

Wang, Ying; Edalji, Rohinton P; Panchal, Sanjay C; Sun, Chaohong; Djuric, Stevan W; Vasudevan, Anil

2017-10-26

It is advocated that kinetic and thermodynamic profiling of bioactive compounds should be incorporated and utilized as complementary tools for hit and lead optimizations in drug discovery. To assess their applications in the EED hit-to-lead optimization process, large amount of thermodynamic and kinetic data were collected and analyzed via isothermal titration calorimetry (ITC) and surface plasmon resonance (SPR), respectively. Slower dissociation rates (k off ) of the lead compounds were observed as the program progressed. Analysis of the kinetic data indicated that compound cellular activity correlated with both K i and k off . Our analysis revealed that ITC data should be interpreted in the context of chiral purity of the compounds. The thermodynamic signatures of the EED aminopyrrolidine compounds were found to be mainly enthalpy driven with improved enthalpic contributions as the program progressed. Our study also demonstrated that significant challenges still exist in utilizing kinetic and thermodynamic parameters for hit selection.

Heterocatalytic Fenton oxidation process for the treatment of tannery effluent: kinetic and thermodynamic studies.

Science.gov (United States)

Karthikeyan, S; Ezhil Priya, M; Boopathy, R; Velan, M; Mandal, A B; Sekaran, G

2012-06-01

BACKGROUND, AIM, SCOPE: Treatment of wastewater has become significant with the declining water resources. The presence of recalcitrant organics is the major issue in meeting the pollution control board norms in India. The theme of the present investigation was on partial or complete removal of pollutants or their transformation into less toxic and more biodegradable products by heterogeneous Fenton oxidation process using mesoporous activated carbon (MAC) as the catalyst. Ferrous sulfate (FeSO(4)·7H(2)O), sulfuric acid (36 N, specific gravity 1.81, 98% purity), hydrogen peroxide (50% v/v) and all other chemicals used in this study were of analytical grade (Merck). Two reactors, each of height 50 cm and diameter 6 cm, were fabricated with PVC while one reactor was packed with MAC of mass 150 g and other without MAC served as control. The oxidation process was presented with kinetic and thermodynamic constants for the removal of COD, BOD, and TOC from the wastewater. The activation energy (Ea) for homogeneous and heterogeneous Fenton oxidation processes were 44.79 and 25.89 kJ/mol, respectively. The thermodynamic parameters ΔG, ΔH, and ΔS were calculated for the oxidation processes using Van't Hoff equation. Furthermore, the degradation of organics was confirmed through FTIR and UV-visible spectroscopy, and cyclic voltammetry. The heterocatalytic Fenton oxidation process efficiently increased the biodegradability index (BOD/COD) of the tannery effluent. The optimized conditions for the heterocatalytic Fenton oxidation of organics in tannery effluent were pH 3.5, reaction time-4 h, and H(2)O(2)/FeSO(4)·7H(2)O in the molar ratio of 2:1.

Optimizing the solar photo-Fenton process in the treatment of contaminated water. Determination of intrinsic kinetic constants for scale-up

Energy Technology Data Exchange (ETDEWEB)

Rodriguez, Miguel [Universidad de Los Andes, Escuela Basica de Ingenieria, La Hechicera, Merida (Venezuela); Malato, Sixto [Plataforma Solar de Almeria, Tabernas (PSA) (Spain); Pulgarin, Cesar [Institute of Environmental Engineering, Laboratory for Environmental Biotechnology, Swiss Federal Institute of Technology (EPFL), CH-1015 Lausanne (Switzerland); Contreras, Sandra; Curco, David; Gimenez, Jaime; Esplugas, Santiago [Department d' Enginyeria Quimica i Metallurgia, Universitat de Barcelona, Marti i Franques 1, 08028 Barcelona (Spain)

2005-10-01

The elimination of aromatic compounds present in surface water by photo-Fenton with sunlight as the source of radiation was studied. The concentrations of Fe{sup 3+} and H{sub 2}O{sub 2} are key factors for this process. A solar simulator and a prototype parabolic collector were used as laboratory-scale reactors to find the parameters of those key factors to be used in the CPC (compound parabolic collector) pilot plant reactor. The initial mineralization rate constant (k{sub obs}) was determined and evaluated at different Fe{sup 3+} and H{sub 2}O{sub 2} concentrations to find the best values for maximum efficiency. In all the experiments the mineralization of an aqueous phenol solution was described by assuming a pseudo-first-order reaction. The intrinsic kinetic constants not dependent on the lighting conditions were also estimated for scale-up. (author)

Optimizing a Laser Process for Making Carbon Nanotubes

Science.gov (United States)

Arepalli, Sivaram; Nikolaev, Pavel; Holmes, William

2010-01-01

A systematic experimental study has been performed to determine the effects of each of the operating conditions in a double-pulse laser ablation process that is used to produce single-wall carbon nanotubes (SWCNTs). The comprehensive data compiled in this study have been analyzed to recommend conditions for optimizing the process and scaling up the process for mass production. The double-pulse laser ablation process for making SWCNTs was developed by Rice University researchers. Of all currently known nanotube-synthesizing processes (arc and chemical vapor deposition), this process yields the greatest proportion of SWCNTs in the product material. The aforementioned process conditions are important for optimizing the production of SWCNTs and scaling up production. Reports of previous research (mostly at Rice University) toward optimization of process conditions mention effects of oven temperature and briefly mention effects of flow conditions, but no systematic, comprehensive study of the effects of process conditions was done prior to the study described here. This was a parametric study, in which several production runs were carried out, changing one operating condition for each run. The study involved variation of a total of nine parameters: the sequence of the laser pulses, pulse-separation time, laser pulse energy density, buffer gas (helium or nitrogen instead of argon), oven temperature, pressure, flow speed, inner diameter of the flow tube, and flow-tube material.

Parametric optimization of ultrasonic machining process using gravitational search and fireworks algorithms

Directory of Open Access Journals (Sweden)

Debkalpa Goswami

2015-03-01

Full Text Available Ultrasonic machining (USM is a mechanical material removal process used to erode holes and cavities in hard or brittle workpieces by using shaped tools, high-frequency mechanical motion and an abrasive slurry. Unlike other non-traditional machining processes, such as laser beam and electrical discharge machining, USM process does not thermally damage the workpiece or introduce significant levels of residual stress, which is important for survival of materials in service. For having enhanced machining performance and better machined job characteristics, it is often required to determine the optimal control parameter settings of an USM process. The earlier mathematical approaches for parametric optimization of USM processes have mostly yielded near optimal or sub-optimal solutions. In this paper, two almost unexplored non-conventional optimization techniques, i.e. gravitational search algorithm (GSA and fireworks algorithm (FWA are applied for parametric optimization of USM processes. The optimization performance of these two algorithms is compared with that of other popular population-based algorithms, and the effects of their algorithm parameters on the derived optimal solutions and computational speed are also investigated. It is observed that FWA provides the best optimal results for the considered USM processes.

Optimization of the Adsorption of Malachite Green on the NH2-SBA-15 Nano-adsorbent Using the Taguchi Method by Qualitek-4 Software An Isotherm, Kinetic, and Thermodynamic Study

Directory of Open Access Journals (Sweden)

Arghavan Mirahsani

2015-01-01

Full Text Available SBA-15 nanoporous silica was prepared and functionalized with propylamine groups via post-synthesis grafting to develop efficient adsorbents of dyes in wastewater. The materials thus prepared were then characterized by XRD, N2 adsorption-desorption, and FTIR. Adsorption of a cationic dye, malachite green, on functionalized SBA-15 was investigated under various conditions of pH (5, 6, and 7, temperature (10, 20, and 30 °C, adsorbent dosage (0.1, 0.3, and 0.5 g/L, and dye concentration (50, 100, 150, 200, 250, 300 mg/L. Maximum equilibrium adsorption capacity to achieve maximum removal percentage (R%=100% in optimum conditions (dye concentration=100 mg/L, pH=7, adsorbent dosage= 0.3 g/L was estimated at 333 mg/g. The Taguchi method was used to optimize the adsorption performances of the materials , and then the isotherm, kinetic, and thermodynamic properties were analyzed under the optimum conditions. The results showed that the overall process was fast and its kinetics was well-fitted by pseudo-second-order kinetic model. The experimental data agreed well with Freundlich model. Therefore, the maximum amount of multilayer dye adsorbed was estimated as 500 mg/g. Based on the results obtained, this process may be regarded as an endothermic one with a negative ∆G, which shows the process is also spontaneous. Finally, the results indicate that the silica‐based nanoporous organic–inorganic hybrid material can be a promising sorbent for the removal of malachite green from aquatic solutions

Kinetics of palm kernel oil and ethanol transesterification

Energy Technology Data Exchange (ETDEWEB)

Ahiekpor, Julius C. [Centre for Energy, Environment and Sustainable Development (CEESD), P.O. Box FN 793, Kumasi (Ghana); Kuwornoo, David K. [Faculty of Chemical and Materials Engineering, Kwame Nkrumah University of Science and Technology (KNUST), Private Mail Bag, Kumasi (Ghana)

2010-07-01

Biodiesel, an alternative diesel fuel made from renewable sources such as vegetable oils and animal fats, has been identified by government to play a key role in the socio-economic development of Ghana. The utilization of biodiesel is expected to be about 10% of the total liquid fuel mix of the country by the year 2020. Despite this great potential and the numerous sources from which biodiesel could be developed in Ghana, there are no available data on the kinetics and mechanisms of transesterification of local vegetable oils. The need for local production of biodiesel necessitates that the mechanism and kinetics of the process is well understood, since the properties of the biodiesel depends on the type of oil use for the transesterification process. The objective of this work is to evaluate the appropriate kinetics mechanism and to find out the reaction rate constants for palm kernel oil transesterification with ethanol when KOH was used as a catalyst. In this present work, 16 biodiesel samples were prepared at specified times based on reported optimal conditions and the samples analysed by gas chromatography. The experimental mass fractions were calibrated and fitted to mathematical models of different proposed mechanisms in previous works.The rate data fitted well to second-order kinetics without shunt mechanism. It was also observed that, although transesterification reaction of crude palm kernel oil is a reversible reaction, the reaction rate constants indicated that the forward reactions were the most prominent.

GA based CNC turning center exploitation process parameters optimization

Directory of Open Access Journals (Sweden)

Z. Car

2009-01-01

Full Text Available This paper presents machining parameters (turning process optimization based on the use of artificial intelligence. To obtain greater efficiency and productivity of the machine tool, optimal cutting parameters have to be obtained. In order to find optimal cutting parameters, the genetic algorithm (GA has been used as an optimal solution finder. Optimization has to yield minimum machining time and minimum production cost, while considering technological and material constrains.

Valorization of aquaculture waste in removal of cadmium from aqueous solution: optimization by kinetics and ANN analysis

Science.gov (United States)

Aditya, Gautam; Hossain, Asif

2018-05-01

Cadmium is one of the most hazardous heavy metal concerning human health and aquatic pollution. The removal of cadmium through biosorption is a feasible option for restoration of the ecosystem health of the contaminated freshwater ecosystems. In compliance with this proposition and considering the efficiency of calcium carbonate as biosorbent, the shell dust of the economically important snail Bellamya bengalensis was tested for the removal of cadmium from aqueous medium. Following use of the flesh as a cheap source of protein, the shells of B. bengalensis made up of CaCO3 are discarded as aquaculture waste. The biosorption was assessed through batch sorption studies along with studies to characterize the morphology and surface structures of waste shell dust. The data on the biosorption were subjected to the artificial neural network (ANN) model for optimization of the process. The biosorption process changed as functions of pH of the solution, concentration of heavy metal, biomass of the adsorbent and time of exposure. The kinetic process was well represented by pseudo second order ( R 2 = 0.998), and Langmuir equilibrium ( R 2 = 0.995) had better fits in the equilibrium process with 30.33 mg g-1 of maximum sorption capacity. The regression equation ( R 2 = 0.948) in the ANN model supports predicted values of Cd removal satisfactorily. The normalized importance analysis in ANN predicts Cd2+ concentration, and pH has the most influence in removal than biomass dose and time. The SEM and EDX studies show clear peaks for Cd confirming the biosorption process while the FTIR study depicts the main functional groups (-OH, C-H, C=O, C=C) responsible for the biosorption process. The study indicated that the waste shell dust can be used as an efficient, low cost, environment friendly, sustainable adsorbent for the removal of cadmium from aqueous solution.

Making waves: Kinetic processes controlling surface evolution during low energy ion sputtering

International Nuclear Information System (INIS)

Chan, W.L.; Chason, Eric

2007-01-01

When collimated beams of low energy ions are used to bombard materials, the surface often develops a periodic pattern or ''ripple'' structure. Different types of patterns are observed to develop under different conditions, with characteristic features that depend on the substrate material, the ion beam parameters, and the processing conditions. Because the patterns develop spontaneously, without applying any external mask or template, their formation is the expression of a dynamic balance among fundamental surface kinetic processes, e.g., erosion of material from the surface, ion-induced defect creation, and defect-mediated evolution of the surface morphology. In recent years, a comprehensive picture of the different kinetic mechanisms that control the different types of patterns that form has begun to emerge. In this article, we provide a review of different mechanisms that have been proposed and how they fit together in terms of the kinetic regimes in which they dominate. These are grouped into regions of behavior dominated by the directionality of the ion beam, the crystallinity of the surface, the barriers to surface roughening, and nonlinear effects. In sections devoted to each type of behavior, we relate experimental observations of patterning in these regimes to predictions of continuum models and to computer simulations. A comparison between theory and experiment is used to highlight strengths and weaknesses in our understanding. We also discuss the patterning behavior that falls outside the scope of the current understanding and opportunities for advancement

On process optimization considering LCA methodology.

Science.gov (United States)

Pieragostini, Carla; Mussati, Miguel C; Aguirre, Pío

2012-04-15

The goal of this work is to research the state-of-the-art in process optimization techniques and tools based on LCA, focused in the process engineering field. A collection of methods, approaches, applications, specific software packages, and insights regarding experiences and progress made in applying the LCA methodology coupled to optimization frameworks is provided, and general trends are identified. The "cradle-to-gate" concept to define the system boundaries is the most used approach in practice, instead of the "cradle-to-grave" approach. Normally, the relationship between inventory data and impact category indicators is linearly expressed by the characterization factors; then, synergic effects of the contaminants are neglected. Among the LCIA methods, the eco-indicator 99, which is based on the endpoint category and the panel method, is the most used in practice. A single environmental impact function, resulting from the aggregation of environmental impacts, is formulated as the environmental objective in most analyzed cases. SimaPro is the most used software for LCA applications in literature analyzed. The multi-objective optimization is the most used approach for dealing with this kind of problems, where the ε-constraint method for generating the Pareto set is the most applied technique. However, a renewed interest in formulating a single economic objective function in optimization frameworks can be observed, favored by the development of life cycle cost software and progress made in assessing costs of environmental externalities. Finally, a trend to deal with multi-period scenarios into integrated LCA-optimization frameworks can be distinguished providing more accurate results upon data availability. Copyright © 2011 Elsevier Ltd. All rights reserved.

A Methodology for Optimization in Multistage Industrial Processes: A Pilot Study

Directory of Open Access Journals (Sweden)

Piotr Jarosz

2015-01-01

Full Text Available The paper introduces a methodology for optimization in multistage industrial processes with multiple quality criteria. Two ways of formulation of optimization problem and four different approaches to solve the problem are considered. Proposed methodologies were tested first on a virtual process described by benchmark functions and next were applied in optimization of multistage lead refining process.

Simulation-based optimization for product and process design

NARCIS (Netherlands)

Driessen, L.

2006-01-01

The design of products and processes has gradually shifted from a purely physical process towards a process that heavily relies on computer simulations (virtual prototyping). To optimize this virtual design process in terms of speed and final product quality, statistical methods and mathematical

Efficient integration of stiff kinetics with phase change detection for reactive reservoir processes

DEFF Research Database (Denmark)

Kristensen, Morten Rode; Gerritsen, Margot G.; Thomsen, Per Grove

2007-01-01

We propose the use of implicit one-step Explicit Singly Diagonal Implicit Runge-Kutta (ESDIRK) methods for integration of the stiff kinetics in reactive, compositional and thermal processes that are solved using operator-splitting type approaches. To facilitate the algorithmic development we...

Simulation of the organic-waste processing in plasma with allowance for kinetics of thermochemical transformations

Science.gov (United States)

Messerle, V. E.; Ustimenko, A. B.

2017-07-01

Kinetic calculations of the plasma processing/utilization process of organic waste in air and steam ambient were carried out. It is shown that, during the time of waste residence in the plasma reactor, 0.7 and 1.2 s, at the exit from the reactor there forms a high-calorific fuel gas with a combustion heat of 3540 and 5070 kcal/kg, respectively. In this process, 1 kg of waste yields 1.16 kg of fuel gas at air gasification of waste and 0.87 kg of pure synthesis gas at steam gasification. The energy efficiency of the waste gasification process, defined by the ratio between the calorific value of the resultant fuel gas and the initial calorific value of the waste amounts to 91 % in air plasma and 98 % in steam plasma. A comparison between the results of kinetic and thermodynamic calculations has revealed their good agreement.

Hydrogen production by onboard gasoline processing – Process simulation and optimization

Energy Technology Data Exchange (ETDEWEB)

Bisaria, Vega; Smith, R.J. Byron,

2013-12-15

Highlights: • Process flow sheet for an onboard fuel processor for 100 kW fuel cell output was simulated. • Gasoline fuel requirement was found to be 30.55 kg/hr. • The fuel processor efficiency was found to be 95.98%. • An heat integrated optimum flow sheet was developed. - Abstract: Fuel cell vehicles have reached the commercialization stage and hybrid vehicles are already on the road. While hydrogen storage and infrastructure remain critical issues in stand alone commercialization of the technology, researchers are developing onboard fuel processors, which can convert a variety of fuels into hydrogen to power these fuel cell vehicles. The feasibility study of a 100 kW on board fuel processor based on gasoline fuel is carried out using process simulation. The steady state model has been developed with the help of Aspen HYSYS to analyze the fuel processor and total system performance. The components of the fuel processor are the fuel reforming unit, CO clean-up unit and auxiliary units. Optimization studies were carried out by analyzing the influence of various operating parameters such as oxygen to carbon ratio, steam to carbon ratio, temperature and pressure on the process equipments. From the steady state model optimization using Aspen HYSYS, an optimized reaction composition in terms of hydrogen production and carbon monoxide concentration corresponds to: oxygen to carbon ratio of 0.5 and steam to carbon ratio of 0.5. The fuel processor efficiency of 95.98% is obtained under these optimized conditions. The heat integration of the system using the composite curve, grand composite curve and utility composite curve were studied for the system. The most appropriate heat exchanger network from the generated ones was chosen and that was incorporated into the optimized flow sheet of the100 kW fuel processor. A completely heat integrated 100 kW fuel processor flow sheet using gasoline as fuel was thus successfully simulated and optimized.

Hydrogen production by onboard gasoline processing – Process simulation and optimization

International Nuclear Information System (INIS)

Bisaria, Vega; Smith, R.J. Byron

2013-01-01

Highlights: • Process flow sheet for an onboard fuel processor for 100 kW fuel cell output was simulated. • Gasoline fuel requirement was found to be 30.55 kg/hr. • The fuel processor efficiency was found to be 95.98%. • An heat integrated optimum flow sheet was developed. - Abstract: Fuel cell vehicles have reached the commercialization stage and hybrid vehicles are already on the road. While hydrogen storage and infrastructure remain critical issues in stand alone commercialization of the technology, researchers are developing onboard fuel processors, which can convert a variety of fuels into hydrogen to power these fuel cell vehicles. The feasibility study of a 100 kW on board fuel processor based on gasoline fuel is carried out using process simulation. The steady state model has been developed with the help of Aspen HYSYS to analyze the fuel processor and total system performance. The components of the fuel processor are the fuel reforming unit, CO clean-up unit and auxiliary units. Optimization studies were carried out by analyzing the influence of various operating parameters such as oxygen to carbon ratio, steam to carbon ratio, temperature and pressure on the process equipments. From the steady state model optimization using Aspen HYSYS, an optimized reaction composition in terms of hydrogen production and carbon monoxide concentration corresponds to: oxygen to carbon ratio of 0.5 and steam to carbon ratio of 0.5. The fuel processor efficiency of 95.98% is obtained under these optimized conditions. The heat integration of the system using the composite curve, grand composite curve and utility composite curve were studied for the system. The most appropriate heat exchanger network from the generated ones was chosen and that was incorporated into the optimized flow sheet of the100 kW fuel processor. A completely heat integrated 100 kW fuel processor flow sheet using gasoline as fuel was thus successfully simulated and optimized

Pavement maintenance optimization model using Markov Decision Processes

Science.gov (United States)

Mandiartha, P.; Duffield, C. F.; Razelan, I. S. b. M.; Ismail, A. b. H.

2017-09-01

This paper presents an optimization model for selection of pavement maintenance intervention using a theory of Markov Decision Processes (MDP). There are some particular characteristics of the MDP developed in this paper which distinguish it from other similar studies or optimization models intended for pavement maintenance policy development. These unique characteristics include a direct inclusion of constraints into the formulation of MDP, the use of an average cost method of MDP, and the policy development process based on the dual linear programming solution. The limited information or discussions that are available on these matters in terms of stochastic based optimization model in road network management motivates this study. This paper uses a data set acquired from road authorities of state of Victoria, Australia, to test the model and recommends steps in the computation of MDP based stochastic optimization model, leading to the development of optimum pavement maintenance policy.

Pyrolysis characteristics and kinetics of microalgae via thermogravimetric analysis (TGA): A state-of-the-art review.

Science.gov (United States)

Bach, Quang-Vu; Chen, Wei-Hsin

2017-12-01

Pyrolysis is a promising route for biofuels production from microalgae at moderate temperatures (400-600°C) in an inert atmosphere. Depending on the operating conditions, pyrolysis can produce biochar and/or bio-oil. In practice, knowledge for thermal decomposition characteristics and kinetics of microalgae during pyrolysis is essential for pyrolyzer design and pyrolysis optimization. Recently, the pyrolysis kinetics of microalgae has become a crucial topic and received increasing interest from researchers. Thermogravimetric analysis (TGA) has been employed as a proven technique for studying microalgae pyrolysis in a kinetic control regime. In addition, a number of kinetic models have been applied to process the TGA data for kinetic evaluation and parameters estimation. This paper aims to provide a state-of-the art review on recent research activities in pyrolysis characteristics and kinetics of various microalgae. Common kinetic models predicting the thermal degradation of microalgae are examined and their pros and cons are illustrated. Copyright © 2017 Elsevier Ltd. All rights reserved.

Magnetically assisted chemical separation (MACS) process: Preparation and optimization of particles for removal of transuranic elements

International Nuclear Information System (INIS)

Nunez, L.; Kaminski, M.; Bradley, C.; Buchholz, B.A.; Aase, S.B.; Tuazon, H.E.; Vandegrift, G.F.; Landsberger, S.

1995-05-01

The Magnetically Assisted Chemical Separation (MACS) process combines the selectivity afforded by solvent extractants with magnetic separation by using specially coated magnetic particles to provide a more efficient chemical separation of transuranic (TRU) elements, other radionuclides, and heavy metals from waste streams. Development of the MACS process uses chemical and physical techniques to elucidate the properties of particle coatings and the extent of radiolytic and chemical damage to the particles, and to optimize the stages of loading, extraction, and particle regeneration. This report describes the development of a separation process for TRU elements from various high-level waste streams. Polymer-coated ferromagnetic particles with an adsorbed layer of octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide (CMPO) diluted with tributyl phosphate (TBP) were evaluated for use in the separation and recovery of americium and plutonium from nuclear waste solutions. Due to their chemical nature, these extractants selectively complex americium and plutonium contaminants onto the particles, which can then be recovered from the solution by using a magnet. The partition coefficients were larger than those expected based on liquid[liquid extractions, and the extraction proceeded with rapid kinetics. Extractants were stripped from the particles with alcohols and 400-fold volume reductions were achieved. Particles were more sensitive to acid hydrolysis than to radiolysis. Overall, the optimization of a suitable NMCS particle for TRU separation was achieved under simulant conditions, and a MACS unit is currently being designed for an in-lab demonstration

Computer performance optimization systems, applications, processes

CERN Document Server

Osterhage, Wolfgang W

2013-01-01

Computing power performance was important at times when hardware was still expensive, because hardware had to be put to the best use. Later on this criterion was no longer critical, since hardware had become inexpensive. Meanwhile, however, people have realized that performance again plays a significant role, because of the major drain on system resources involved in developing complex applications. This book distinguishes between three levels of performance optimization: the system level, application level and business processes level. On each, optimizations can be achieved and cost-cutting p

STATISTICAL OPTIMIZATION OF PROCESS VARIABLES FOR ...

African Journals Online (AJOL)

2012-11-03

Nov 3, 2012 ... The osmotic dehydration process was optimized for water loss and solutes gain. ... basis) with safe moisture content for storage (10% wet basis) [3]. Due to ... sucrose, glucose, fructose, corn syrup and sodium chlo- ride have ...

Kinetic and spectral descriptions of autoionization phenomena associated with atomic processes in plasmas

Science.gov (United States)

Jacobs, Verne L.

2017-06-01

This investigation has been devoted to the theoretical description and computer modeling of atomic processes giving rise to radiative emission in energetic electron and ion beam interactions and in laboratory plasmas. We are also interested in the effects of directed electron and ion collisions and of anisotropic electric and magnetic fields. In the kinetic-theory description, we treat excitation, de-excitation, ionization, and recombination in electron and ion encounters with partially ionized atomic systems, including the indirect contributions from processes involving autoionizing resonances. These fundamental collisional and electromagnetic interactions also provide particle and photon transport mechanisms. From the spectral perspective, the analysis of atomic radiative emission can reveal detailed information on the physical properties in the plasma environment, such as non-equilibrium electron and charge-state distributions as well as electric and magnetic field distributions. In this investigation, a reduced-density-matrix formulation is developed for the microscopic description of atomic electromagnetic interactions in the presence of environmental (collisional and radiative) relaxation and decoherence processes. Our central objective is a fundamental microscopic description of atomic electromagnetic processes, in which both bound-state and autoionization-resonance phenomena can be treated in a unified and self-consistent manner. The time-domain (equation-of-motion) and frequency-domain (resolvent-operator) formulations of the reduced-density-matrix approach are developed in a unified and self-consistent manner. This is necessary for our ultimate goal of a systematic and self-consistent treatment of non-equilibrium (possibly coherent) atomic-state kinetics and high-resolution (possibly overlapping) spectral-line shapes. We thereby propose the introduction of a generalized collisional-radiative atomic-state kinetics model based on a reduced

Optimization of CernVM early boot process

CERN Document Server

Mazdin, Petra

2015-01-01

CernVM virtual machine is a Linux based virtual appliance optimized for High Energy Physics experiments. It is used for cloud computing, volunteer computing, and software development by the four large LHC experiments. The goal of this project is proling and optimizing the boot process of the CernVM. A key part was the development of a performance profiler for shell scripts as an extension to the popular BusyBox open source UNIX tool suite. Based on the measurements, costly shell code was replaced by more efficient, custom C programs. The results are compared to the original ones and successful optimization is proven.

GENERAL EQUATIONS OF CARBONIZATION OF EUCALYPTUS SPP KINETIC MECHANISMS

Directory of Open Access Journals (Sweden)

Túlio Jardim Raad

2006-06-01

Full Text Available In the present work, a set of general equations related to kinetic mechanism of wood compound carbonization: hemicelluloses, cellulose and lignin was obtained by Avrami-Eroffev and Arrhenius equations and Thermogravimetry of Eucalyptus cloeziana, Eucalyptus camaldulensis, Corymbia citriodora, Eucalyptus urophylla and Eucalyptus grandis samples, TG-Isothermal and TG-Dynamic. The different thermal stabilities and decomposition temperature bands of those species compounds were applied as strategy to obtain the kinetic parameters: activation energy, exponential factor and reaction order. The kinetic model developed was validated by thermogravimetric curves from carbonization of others biomass such as coconut. The kinetic parameters found were - Hemicelluloses: E=98,6 kJmol, A=3,5x106s-1 n=1,0; - Cellulose: E=182,2 kJmol, A=1,2x1013s-1 n=1,5; - Lignin: E=46,6 kJmol, A=2,01s-1 n=0,41. The set of equations can be implemented in a mathematical model of wood carbonization simulation (with heat and mass transfer equations with the aim of optimizing the control and charcoal process used to produce pig iron.

Estimation of beech pyrolysis kinetic parameters by Shuffled Complex Evolution.

Science.gov (United States)

Ding, Yanming; Wang, Changjian; Chaos, Marcos; Chen, Ruiyu; Lu, Shouxiang

2016-01-01

The pyrolysis kinetics of a typical biomass energy feedstock, beech, was investigated based on thermogravimetric analysis over a wide heating rate range from 5K/min to 80K/min. A three-component (corresponding to hemicellulose, cellulose and lignin) parallel decomposition reaction scheme was applied to describe the experimental data. The resulting kinetic reaction model was coupled to an evolutionary optimization algorithm (Shuffled Complex Evolution, SCE) to obtain model parameters. To the authors' knowledge, this is the first study in which SCE has been used in the context of thermogravimetry. The kinetic parameters were simultaneously optimized against data for 10, 20 and 60K/min heating rates, providing excellent fits to experimental data. Furthermore, it was shown that the optimized parameters were applicable to heating rates (5 and 80K/min) beyond those used to generate them. Finally, the predicted results based on optimized parameters were contrasted with those based on the literature. Copyright © 2015 Elsevier Ltd. All rights reserved.

Optimization of airport security process

Science.gov (United States)

Wei, Jianan

2017-05-01

In order to facilitate passenger travel, on the basis of ensuring public safety, the airport security process and scheduling to optimize. The stochastic Petri net is used to simulate the single channel security process, draw the reachable graph, construct the homogeneous Markov chain to realize the performance analysis of the security process network, and find the bottleneck to limit the passenger throughput. Curve changes in the flow of passengers to open a security channel for the initial state. When the passenger arrives at a rate that exceeds the processing capacity of the security channel, it is queued. The passenger reaches the acceptable threshold of the queuing time as the time to open or close the next channel, simulate the number of dynamic security channel scheduling to reduce the passenger queuing time.

On the optimization of endoreversible processes

Science.gov (United States)

Pescetti, D.

2014-03-01

This paper is intended for undergraduates and specialists in thermodynamics and related areas. We consider and discuss the optimization of endoreversible thermodynamic processes under the condition of maximum work production. Explicit thermodynamic analyses of the solutions are carried out for the Novikov and Agrawal processes. It is shown that the efficiencies at maximum work production and maximum power output are not necessarily equal. They are for the Novikov process but not for the Agrawal process. The role of the constraints is put into evidence. The physical aspects are enhanced by the simplicity of the involved mathematics.

Cell kinetics and therapeutic efficiency

International Nuclear Information System (INIS)

Andreeff, M.; Abenhardt, W.; Gruner, B.; Stoffner, D.; Mainz Univ.

1976-01-01

The study shows that cell kinetics effects correlate with the effects of cytostatic drugs in the tumour model investigated here. It should, however, be noted that even genetically related tumour cell types may react differently to the same cytostatic drug, and that the cell kinetics effects, due to the changes in the cell cycle, cannot be predicted but should be followed with a very fast method, e.g. sequential flan fluorescence cytophotometry, for optimal therapeutic results. (orig./GSE) [de

Ring rolling process simulation for geometry optimization

Science.gov (United States)

Franchi, Rodolfo; Del Prete, Antonio; Donatiello, Iolanda; Calabrese, Maurizio

2017-10-01

Ring Rolling is a complex hot forming process where different rolls are involved in the production of seamless rings. Since each roll must be independently controlled, different speed laws must be set; usually, in the industrial environment, a milling curve is introduced to monitor the shape of the workpiece during the deformation in order to ensure the correct ring production. In the present paper a ring rolling process has been studied and optimized in order to obtain anular components to be used in aerospace applications. In particular, the influence of process input parameters (feed rate of the mandrel and angular speed of main roll) on geometrical features of the final ring has been evaluated. For this purpose, a three-dimensional finite element model for HRR (Hot Ring Rolling) has been implemented in SFTC DEFORM V11. The FEM model has been used to formulate a proper optimization problem. The optimization procedure has been implemented in the commercial software DS ISight in order to find the combination of process parameters which allows to minimize the percentage error of each obtained dimension with respect to its nominal value. The software allows to find the relationship between input and output parameters applying Response Surface Methodology (RSM), by using the exact values of output parameters in the control points of the design space explored through FEM simulation. Once this relationship is known, the values of the output parameters can be calculated for each combination of the input parameters. After the calculation of the response surfaces for the selected output parameters, an optimization procedure based on Genetic Algorithms has been applied. At the end, the error between each obtained dimension and its nominal value has been minimized. The constraints imposed were the maximum values of standard deviations of the dimensions obtained for the final ring.

Isobutane Alkylation Process Synthesis by means of Hybrid Simulation-Multiobjective Optimization

OpenAIRE

Fernandez-Torres, Maria J.; García, Norberto; Caballero, José A.

2014-01-01

Multiobjective Generalized Disjunctive Programming (MO-GDP) optimization has been used for the synthesis of an important industrial process, isobutane alkylation. The two objective functions to be simultaneously optimized are the environmental impact, determined by means of LCA (Life Cycle Assessment), and the economic potential of the process. The main reason for including the minimization of the environmental impact in the optimization process is the widespread environmental concern by the ...

Research on the drying kinetics of household food waste for the development and optimization of domestic waste drying technique.

Science.gov (United States)

Sotiropoulos, A; Malamis, D; Michailidis, P; Krokida, M; Loizidou, M

2016-01-01

Domestic food waste drying foresees the significant reduction of household food waste mass through the hygienic removal of its moisture content at source. In this manuscript, a new approach for the development and optimization of an innovative household waste dryer for the effective dehydration of food waste at source is presented. Food waste samples were dehydrated with the use of the heated air-drying technique under different air-drying conditions, namely air temperature and air velocity, in order to investigate their drying kinetics. Different thin-layer drying models have been applied, in which the drying constant is a function of the process variables. The Midilli model demonstrated the best performance in fitting the experimental data in all tested samples, whereas it was found that food waste drying is greatly affected by temperature and to a smaller scale by air velocity. Due to the increased moisture content of food waste, an appropriate configuration of the drying process variables can lead to a total reduction of its mass by 87% w/w, thus achieving a sustainable residence time and energy consumption level. Thus, the development of a domestic waste dryer can be proved to be economically and environmentally viable in the future.

Bioleaching of spent hydro-processing catalyst using acidophilic bacteria and its kinetics aspect

International Nuclear Information System (INIS)

Mishra, Debaraj; Kim, Dong J.; Ralph, David E.; Ahn, Jong G.; Rhee, Young H.

2008-01-01

Bioleaching of metals from hazardous spent hydro-processing catalysts was attempted in the second stage after growing the bacteria with sulfur in the first stage. The first stage involved transformation of elemental sulfur particles to sulfuric acid through an oxidation process by acidophilic bacteria. In the second stage, the acidic medium was utilized for the leaching process. Nickel, vanadium and molybdenum contained within spent catalyst were leached from the solid materials to liquid medium by the action of sulfuric acid that was produced by acidophilic leaching bacteria. Experiments were conducted varying the reaction time, amount of spent catalysts, amount of elemental sulfur and temperature. At 50 g/L spent catalyst concentration and 20 g/L elemental sulfur, 88.3% Ni, 46.3% Mo, and 94.8% V were recovered after 7 days. Chemical leaching with commercial sulfuric acid of the similar amount that produced by bacteria was compared. Thermodynamic parameters were calculated and the nature of reaction was found to be exothermic. Leaching kinetics of the metals was represented by different reaction kinetic equations, however, only diffusion controlled model showed the best correlation here. During the whole process Mo showed low dissolution because of substantiate precipitation with leach residues as MoO 3 . Bioleach residues were characterized by EDX and XRD

Bioleaching of spent hydro-processing catalyst using acidophilic bacteria and its kinetics aspect

Energy Technology Data Exchange (ETDEWEB)

Mishra, Debaraj [Mineral and Material Processing Division, Korea Institute of Geosciences and Mineral Resources, Daejeon 305-350 (Korea, Republic of); Department of Microbiology, Chungnam National University, Daejeon 305-764 (Korea, Republic of); Kim, Dong J. [Mineral and Material Processing Division, Korea Institute of Geosciences and Mineral Resources, Daejeon 305-350 (Korea, Republic of)], E-mail: djkim@kigam.re.kr; Ralph, David E. [AJ Parker CRC for Hydrometallurgy, Murdoch University, South Street Murdoch, Perth 6153 (Australia); Ahn, Jong G. [Mineral and Material Processing Division, Korea Institute of Geosciences and Mineral Resources, Daejeon 305-350 (Korea, Republic of); Rhee, Young H. [Department of Microbiology, Chungnam National University, Daejeon 305-764 (Korea, Republic of)

2008-04-15

Bioleaching of metals from hazardous spent hydro-processing catalysts was attempted in the second stage after growing the bacteria with sulfur in the first stage. The first stage involved transformation of elemental sulfur particles to sulfuric acid through an oxidation process by acidophilic bacteria. In the second stage, the acidic medium was utilized for the leaching process. Nickel, vanadium and molybdenum contained within spent catalyst were leached from the solid materials to liquid medium by the action of sulfuric acid that was produced by acidophilic leaching bacteria. Experiments were conducted varying the reaction time, amount of spent catalysts, amount of elemental sulfur and temperature. At 50 g/L spent catalyst concentration and 20 g/L elemental sulfur, 88.3% Ni, 46.3% Mo, and 94.8% V were recovered after 7 days. Chemical leaching with commercial sulfuric acid of the similar amount that produced by bacteria was compared. Thermodynamic parameters were calculated and the nature of reaction was found to be exothermic. Leaching kinetics of the metals was represented by different reaction kinetic equations, however, only diffusion controlled model showed the best correlation here. During the whole process Mo showed low dissolution because of substantiate precipitation with leach residues as MoO{sub 3}. Bioleach residues were characterized by EDX and XRD.

Expert system and process optimization techniques for real-time monitoring and control of plasma processes

Science.gov (United States)

Cheng, Jie; Qian, Zhaogang; Irani, Keki B.; Etemad, Hossein; Elta, Michael E.

1991-03-01

To meet the ever-increasing demand of the rapidly-growing semiconductor manufacturing industry it is critical to have a comprehensive methodology integrating techniques for process optimization real-time monitoring and adaptive process control. To this end we have accomplished an integrated knowledge-based approach combining latest expert system technology machine learning method and traditional statistical process control (SPC) techniques. This knowledge-based approach is advantageous in that it makes it possible for the task of process optimization and adaptive control to be performed consistently and predictably. Furthermore this approach can be used to construct high-level and qualitative description of processes and thus make the process behavior easy to monitor predict and control. Two software packages RIST (Rule Induction and Statistical Testing) and KARSM (Knowledge Acquisition from Response Surface Methodology) have been developed and incorporated with two commercially available packages G2 (real-time expert system) and ULTRAMAX (a tool for sequential process optimization).

The Adjoint Method for Gradient-based Dynamic Optimization of UV Flash Processes

DEFF Research Database (Denmark)

Ritschel, Tobias Kasper Skovborg; Capolei, Andrea; Jørgensen, John Bagterp

2017-01-01

This paper presents a novel single-shooting algorithm for gradient-based solution of optimal control problems with vapor-liquid equilibrium constraints. Dynamic optimization of UV flash processes is relevant in nonlinear model predictive control of distillation columns, certain two-phase flow pro......-component flash process which demonstrate the importance of the optimization solver, the compiler, and the linear algebra software for the efficiency of dynamic optimization of UV flash processes....

Analysis of kinetic reaction mechanisms

CERN Document Server

Turányi, Tamás

2014-01-01

Chemical processes in many fields of science and technology, including combustion, atmospheric chemistry, environmental modelling, process engineering, and systems biology, can be described by detailed reaction mechanisms consisting of numerous reaction steps. This book describes methods for the analysis of reaction mechanisms that are applicable in all these fields. Topics addressed include: how sensitivity and uncertainty analyses allow the calculation of the overall uncertainty of simulation results and the identification of the most important input parameters, the ways in which mechanisms can be reduced without losing important kinetic and dynamic detail, and the application of reduced models for more accurate engineering optimizations. This monograph is invaluable for researchers and engineers dealing with detailed reaction mechanisms, but is also useful for graduate students of related courses in chemistry, mechanical engineering, energy and environmental science and biology.

Kinetic determination of ultramicro amounts of As(III in solution

Directory of Open Access Journals (Sweden)

RANGEL P. IGOV

2003-02-01

Full Text Available A new catalytic reaction is proposed and a kinetic method developed for the determination of ultramicro amounts of As(III on the basis of its catalytic activity in the oxidation of ethylenediamine-N,N’-diacetic-N,N’ dipropionic acid (EAP by KMnO4 in the presence of hydrochloric acid. Under optimal conditions, the sensivity of the method is 20 ng/cm3. The probable relative error is 7.6 – 14.5 % for the concentration range 50 – 200 ng/cm3 As(III. The effect of certain foreign ions upon the reaction rate were determined for the assessment of the selectivity of the method. The method has relatively good selectivity. Kinetic equations were proposed for the investigated process.

Kinetic modelling of a diesel-polluted clayey soil bioremediation process

Energy Technology Data Exchange (ETDEWEB)

Fernández, Engracia Lacasa; Merlo, Elena Moliterni [Chemical Engineering Department, Research Institute for Chemical and Environmental Technology (ITQUIMA), University of Castilla La Mancha, 13071 Ciudad Real (Spain); Mayor, Lourdes Rodríguez [National Institute for Hydrogen Research, C/Fernando el Santo, 13500 Puertollano (Spain); Camacho, José Villaseñor, E-mail: jose.villasenor@uclm.es [Chemical Engineering Department, Research Institute for Chemical and Environmental Technology (ITQUIMA), University of Castilla La Mancha, 13071 Ciudad Real (Spain)

2016-07-01

A mathematical model is proposed to describe a diesel-polluted clayey soil bioremediation process. The reaction system under study was considered a completely mixed closed batch reactor, which initially contacted a soil matrix polluted with diesel hydrocarbons, an aqueous liquid-specific culture medium and a microbial inoculation. The model coupled the mass transfer phenomena and the distribution of hydrocarbons among four phases (solid, S; water, A; non-aqueous liquid, NAPL; and air, V) with Monod kinetics. In the first step, the model simulating abiotic conditions was used to estimate only the mass transfer coefficients. In the second step, the model including both mass transfer and biodegradation phenomena was used to estimate the biological kinetic and stoichiometric parameters. In both situations, the model predictions were validated with experimental data that corresponded to previous research by the same authors. A correct fit between the model predictions and the experimental data was observed because the modelling curves captured the major trends for the diesel distribution in each phase. The model parameters were compared to different previously reported values found in the literature. Pearson correlation coefficients were used to show the reproducibility level of the model. - Highlights: • A mathematical model is proposed to describe a soil bioremediation process. • The model couples mass transfer phenomena among phases with biodegradation. • Model predictions were validated with previous data reported by the authors. • A correct fit and correlation coefficients were observed.

Kinetic modelling of a diesel-polluted clayey soil bioremediation process

International Nuclear Information System (INIS)

Fernández, Engracia Lacasa; Merlo, Elena Moliterni; Mayor, Lourdes Rodríguez; Camacho, José Villaseñor

2016-01-01

A mathematical model is proposed to describe a diesel-polluted clayey soil bioremediation process. The reaction system under study was considered a completely mixed closed batch reactor, which initially contacted a soil matrix polluted with diesel hydrocarbons, an aqueous liquid-specific culture medium and a microbial inoculation. The model coupled the mass transfer phenomena and the distribution of hydrocarbons among four phases (solid, S; water, A; non-aqueous liquid, NAPL; and air, V) with Monod kinetics. In the first step, the model simulating abiotic conditions was used to estimate only the mass transfer coefficients. In the second step, the model including both mass transfer and biodegradation phenomena was used to estimate the biological kinetic and stoichiometric parameters. In both situations, the model predictions were validated with experimental data that corresponded to previous research by the same authors. A correct fit between the model predictions and the experimental data was observed because the modelling curves captured the major trends for the diesel distribution in each phase. The model parameters were compared to different previously reported values found in the literature. Pearson correlation coefficients were used to show the reproducibility level of the model. - Highlights: • A mathematical model is proposed to describe a soil bioremediation process. • The model couples mass transfer phenomena among phases with biodegradation. • Model predictions were validated with previous data reported by the authors. • A correct fit and correlation coefficients were observed.

Optimal fabrication processes for unidirectional metal-matrix composites: A computational simulation

Science.gov (United States)

Saravanos, D. A.; Murthy, P. L. N.; Morel, M.

1990-01-01

A method is proposed for optimizing the fabrication process of unidirectional metal matrix composites. The temperature and pressure histories are optimized such that the residual microstresses of the composite at the end of the fabrication process are minimized and the material integrity throughout the process is ensured. The response of the composite during the fabrication is simulated based on a nonlinear micromechanics theory. The optimal fabrication problem is formulated and solved with non-linear programming. Application cases regarding the optimization of the fabrication cool-down phases of unidirectional ultra-high modulus graphite/copper and silicon carbide/titanium composites are presented.

Optimal fabrication processes for unidirectional metal-matrix composites - A computational simulation

Science.gov (United States)

Saravanos, D. A.; Murthy, P. L. N.; Morel, M.

1990-01-01

A method is proposed for optimizing the fabrication process of unidirectional metal matrix composites. The temperature and pressure histories are optimized such that the residual microstresses of the composite at the end of the fabrication process are minimized and the material integrity throughout the process is ensured. The response of the composite during the fabrication is simulated based on a nonlinear micromechanics theory. The optimal fabrication problem is formulated and solved with nonlinear programming. Application cases regarding the optimization of the fabrication cool-down phases of unidirectional ultra-high modulus graphite/copper and silicon carbide/titanium composites are presented.

Tantalum high-temperature oxidation kinetics

International Nuclear Information System (INIS)

Grigor'ev, Yu.M.; Sarkisyan, A.A.; Merzhanov, A.G.

1981-01-01

Kinetics of heat release and scale growth during tantalum oxidation within 650-1300 deg C temperature range in oxygen-containing media is investigated. Kinetic equations and temperature and pressure dependences of constants are ound Applicability of the kinetic Lorie mechanism for the description of the tantalum oxidation kinetics applicably to rapid-passing processes is shown. It is stated that the process rate (reaction ability) is determined by adsorption desorption factors on the external surface of the ''protective'' oxide for the ''linear'' oxidation stage [ru

A Thermodynamic Library for Simulation and Optimization of Dynamic Processes

DEFF Research Database (Denmark)

Ritschel, Tobias Kasper Skovborg; Gaspar, Jozsef; Jørgensen, John Bagterp

2017-01-01

Process system tools, such as simulation and optimization of dynamic systems, are widely used in the process industries for development of operational strategies and control for process systems. These tools rely on thermodynamic models and many thermodynamic models have been developed for different...... compounds and mixtures. However, rigorous thermodynamic models are generally computationally intensive and not available as open-source libraries for process simulation and optimization. In this paper, we describe the application of a novel open-source rigorous thermodynamic library, ThermoLib, which...... is designed for dynamic simulation and optimization of vapor-liquid processes. ThermoLib is implemented in Matlab and C and uses cubic equations of state to compute vapor and liquid phase thermodynamic properties. The novelty of ThermoLib is that it provides analytical first and second order derivatives...

Optimization of the reaction parameters of heavy naphtha reforming process using Pt-Re/Al2O3 catalyst system

Directory of Open Access Journals (Sweden)

Hussien A. Elsayed

2017-12-01

Full Text Available One of the most significant procedures in oil refineries is naphtha catalytic reforming unit in which high octane gasoline is gained. Normally, in oil refineries, flow instability in the composition of feedstock can affect the product quality. The aim of the present work was focused on modifications of the final product flow rate and product’s octane number with respect to the modifications of the feedstock composition. The main three reforming reactions investigated, namely; dehydrogenation, dehydrocyclization, and hydrocracking were conducted employing silica supported bimetallic (Pt-Re patented catalyst. Optimization of the catalytic process reaction conditions, i.e.; temperature, hydrogen pressure and liquid hourly space velocity (LHSV was carried out with regard to conversion and selectivity. The optimization results indicated that heavy naphtha component conversion (paraffin’s and naphthenes increases with an increasing in reaction temperature and pressure while decreases with an increase in LHSV. The kinetic study of catalytic reforming reactions reported helped establishing the reaction model explicitly.

Optimal Design of a Traveling-Wave Kinetic Inductance Amplifier Operated in Three-Wave Mixing Mode

Science.gov (United States)

Erickson, Robert; Bal, Mustafa; Ku, Ksiang-Sheng; Wu, Xian; Pappas, David

In the presence of a DC bias, an injected pump, of frequency fP, and a signal, of frequency fS, undergo parametric three-way mixing (3WM) within a traveling-wave kinetic inductance (KIT) amplifier, producing an idler product of frequency fI =fP -fS . Periodic frequency stops are engineered into the coplanar waveguide of the device to enhance signal amplification. With fP placed just above the first frequency stop gap, 3WM broadband signal gain is achieved with maximum gain at fS =fP / 2 . Within a theory of the dispersion of traveling waves in the presence of these engineered loadings, which accounts for this broadband signal gain, we show how an optimal frequency-stop design may be constructed to achieve maximum signal amplification. The optimization approach we describe can be applied to the design of other nonlinear traveling-wave parametric amplifiers. This work was supported by the Army Research Office and the Laboratory for Physical Sciences under EAO221146, EAO241777, and the NIST Quantum Initiative. RPE acknowledges Grant 60NANB14D024 from the US Department of Commerce, NIST.

Sequential optimization and reliability assessment method for metal forming processes

International Nuclear Information System (INIS)

Sahai, Atul; Schramm, Uwe; Buranathiti, Thaweepat; Chen Wei; Cao Jian; Xia, Cedric Z.

2004-01-01

Uncertainty is inevitable in any design process. The uncertainty could be due to the variations in geometry of the part, material properties or due to the lack of knowledge about the phenomena being modeled itself. Deterministic design optimization does not take uncertainty into account and worst case scenario assumptions lead to vastly over conservative design. Probabilistic design, such as reliability-based design and robust design, offers tools for making robust and reliable decisions under the presence of uncertainty in the design process. Probabilistic design optimization often involves double-loop procedure for optimization and iterative probabilistic assessment. This results in high computational demand. The high computational demand can be reduced by replacing computationally intensive simulation models with less costly surrogate models and by employing Sequential Optimization and reliability assessment (SORA) method. The SORA method uses a single-loop strategy with a series of cycles of deterministic optimization and reliability assessment. The deterministic optimization and reliability assessment is decoupled in each cycle. This leads to quick improvement of design from one cycle to other and increase in computational efficiency. This paper demonstrates the effectiveness of Sequential Optimization and Reliability Assessment (SORA) method when applied to designing a sheet metal flanging process. Surrogate models are used as less costly approximations to the computationally expensive Finite Element simulations

On-line optimal control improves gas processing

International Nuclear Information System (INIS)

Berkowitz, P.N.; Papadopoulos, M.N.

1992-01-01

This paper reports that the authors' companies jointly funded the first phase of a gas processing liquids optimization project that has the specific purposes to: Improve the return of processing natural gas liquids, Develop sets of control algorithms, Make available a low-cost solution suitable for small to medium-sized gas processing plants, Test and demonstrate the feasibility of line control. The ARCO Willard CO 2 gas recovery processing plant was chosen as the initial test site to demonstrate the application of multivariable on-line optimal control. One objective of this project is to support an R ampersand D effort to provide a standardized solution to the various types of gas processing plants in the U.S. Processes involved in these gas plants include cryogenic separations, demethanization, lean oil absorption, fractionation and gas treating. Next, the proposed solutions had to be simple yet comprehensive enough to allow an operator to maintain product specifications while operating over a wide range of gas input flow and composition. This had to be a supervisors system that remained on-line more than 95% of the time, and achieved reduced plant operating variability and improved variable cost control. It took more than a year to study various gas processes and to develop a control approach before a real application was finally exercised. An initial process for C 2 and CO 2 recoveries was chosen

Prediction of Proper Temperatures for the Hot Stamping Process Based on the Kinetics Models

Science.gov (United States)

Samadian, P.; Parsa, M. H.; Mirzadeh, H.

2015-02-01

Nowadays, the application of kinetics models for predicting microstructures of steels subjected to thermo-mechanical treatments has increased to minimize direct experimentation, which is costly and time consuming. In the current work, the final microstructures of AISI 4140 steel sheets after the hot stamping process were predicted using the Kirkaldy and Li kinetics models combined with new thermodynamically based models in order for the determination of the appropriate process temperatures. In this way, the effect of deformation during hot stamping on the Ae3, Acm, and Ae1 temperatures was considered, and then the equilibrium volume fractions of phases at different temperatures were calculated. Moreover, the ferrite transformation rate equations of the Kirkaldy and Li models were modified by a term proposed by Åkerström to consider the influence of plastic deformation. Results showed that the modified Kirkaldy model is satisfactory for the determination of appropriate austenitization temperatures for the hot stamping process of AISI 4140 steel sheets because of agreeable microstructure predictions in comparison with the experimental observations.

A Generic Methodology for Superstructure Optimization of Different Processing Networks

DEFF Research Database (Denmark)

Bertran, Maria-Ona; Frauzem, Rebecca; Zhang, Lei

2016-01-01

In this paper, we propose a generic computer-aided methodology for synthesis of different processing networks using superstructure optimization. The methodology can handle different network optimization problems of various application fields. It integrates databases with a common data architecture......, a generic model to represent the processing steps, and appropriate optimization tools. A special software interface has been created to automate the steps in the methodology workflow, allow the transfer of data between tools and obtain the mathematical representation of the problem as required...

Optimization and standardization of pavement management processes.

Science.gov (United States)

2004-08-01

This report addresses issues related to optimization and standardization of current pavement management processes in Kentucky. Historical pavement management records were analyzed, which indicates that standardization is necessary in future pavement ...

Optimal redundant systems for works with random processing time

International Nuclear Information System (INIS)

Chen, M.; Nakagawa, T.

2013-01-01

This paper studies the optimal redundant policies for a manufacturing system processing jobs with random working times. The redundant units of the parallel systems and standby systems are subject to stochastic failures during the continuous production process. First, a job consisting of only one work is considered for both redundant systems and the expected cost functions are obtained. Next, each redundant system with a random number of units is assumed for a single work. The expected cost functions and the optimal expected numbers of units are derived for redundant systems. Subsequently, the production processes of N tandem works are introduced for parallel and standby systems, and the expected cost functions are also summarized. Finally, the number of works is estimated by a Poisson distribution for the parallel and standby systems. Numerical examples are given to demonstrate the optimization problems of redundant systems

Optimization of Nano-Process Deposition Parameters Based on Gravitational Search Algorithm

Directory of Open Access Journals (Sweden)

Norlina Mohd Sabri

2016-06-01

Full Text Available This research is focusing on the radio frequency (RF magnetron sputtering process, a physical vapor deposition technique which is widely used in thin film production. This process requires the optimized combination of deposition parameters in order to obtain the desirable thin film. The conventional method in the optimization of the deposition parameters had been reported to be costly and time consuming due to its trial and error nature. Thus, gravitational search algorithm (GSA technique had been proposed to solve this nano-process parameters optimization problem. In this research, the optimized parameter combination was expected to produce the desirable electrical and optical properties of the thin film. The performance of GSA in this research was compared with that of Particle Swarm Optimization (PSO, Genetic Algorithm (GA, Artificial Immune System (AIS and Ant Colony Optimization (ACO. Based on the overall results, the GSA optimized parameter combination had generated the best electrical and an acceptable optical properties of thin film compared to the others. This computational experiment is expected to overcome the problem of having to conduct repetitive laboratory experiments in obtaining the most optimized parameter combination. Based on this initial experiment, the adaptation of GSA into this problem could offer a more efficient and productive way of depositing quality thin film in the fabrication process.

Removal of cationic pollutants from water by xanthated corn cob: optimization, kinetics, thermodynamics, and prediction of purification process.

Science.gov (United States)

Kostić, Miloš; Đorđević, Miloš; Mitrović, Jelena; Velinov, Nena; Bojić, Danijela; Antonijević, Milan; Bojić, Aleksandar

2017-07-01

The removal of Cr(III) ions and methylene blue (MB) from aqueous solutions by xanthated corn cob (xCC) in batch conditions was investigated. The sorption capacity of xCC strongly depended of the pH, and increase when the pH rises. The kinetics was well fitted by pseudo-second-order and Chrastil's model. Sorption of Cr(III) ions and MB on xCC was rapid during the first 20 min of contact time and, thereafter, the biosorption rate decrease gradually until reaching equilibrium. The maximum sorption capacity of 17.13 and 83.89 mg g -1 for Cr(III) ions and MB, respectively, was obtained at 40 °C, pH 5, and sorbent dose 4 g dm -3 for removal of Cr(III) ions and 1 g dm -3 for removal of MB. The prediction of purification process was successfully carried out, and the verification of theoretically calculated amounts of sorbent was confirmed by using packed-bed column laboratory system with recirculation of the aqueous phase. The wastewater from chrome plating industry was successfully purified, i.e., after 40 min concentration of Cr(III) ions was decreased lower than 0.1 mg dm -3 . Also, removal of MB from the river water was successfully carried out and after 40 min, removal efficiency was about 94%.

On the problem of a consistent description of kinetic and hydrodynamic processes in dense gases and liquids

Directory of Open Access Journals (Sweden)

B.B. Markiv

2010-01-01

Full Text Available For a consistent description of kinetic and hydrodynamic processes in dense gases and liquids the generalized non-Markovian equations for the nonequilibrium one-particle distribution function and potential part of the averaged enthalpy density are obtained. The inner structure of the generalized transport kernels for these equations is established. It is shown that the collision integral of the kinetic equation has the Fokker-Planck form with the generalized friction coefficient in momentum space. It also contains contributions from the generalized diffusion coefficient and dissipative processes connected with the potential part of the enthalpy density.

Optimization of submerged arc welding process parameters using quasi-oppositional based Jaya algorithm

International Nuclear Information System (INIS)

Rao, R. Venkata; Rai, Dhiraj P.

2017-01-01

Submerged arc welding (SAW) is characterized as a multi-input process. Selection of optimum combination of process parameters of SAW process is a vital task in order to achieve high quality of weld and productivity. The objective of this work is to optimize the SAW process parameters using a simple optimization algorithm, which is fast, robust and convenient. Therefore, in this work a very recently proposed optimization algorithm named Jaya algorithm is applied to solve the optimization problems in SAW process. In addition, a modified version of Jaya algorithm with oppositional based learning, named “Quasi-oppositional based Jaya algorithm” (QO-Jaya) is proposed in order to improve the performance of the Jaya algorithm. Three optimization case studies are considered and the results obtained by Jaya algorithm and QO-Jaya algorithm are compared with the results obtained by well-known optimization algorithms such as Genetic algorithm (GA), Particle swarm optimization (PSO), Imperialist competitive algorithm (ICA) and Teaching learning based optimization (TLBO).

Optimization of submerged arc welding process parameters using quasi-oppositional based Jaya algorithm

Energy Technology Data Exchange (ETDEWEB)

Rao, R. Venkata; Rai, Dhiraj P. [Sardar Vallabhbhai National Institute of Technology, Gujarat (India)

2017-05-15

Submerged arc welding (SAW) is characterized as a multi-input process. Selection of optimum combination of process parameters of SAW process is a vital task in order to achieve high quality of weld and productivity. The objective of this work is to optimize the SAW process parameters using a simple optimization algorithm, which is fast, robust and convenient. Therefore, in this work a very recently proposed optimization algorithm named Jaya algorithm is applied to solve the optimization problems in SAW process. In addition, a modified version of Jaya algorithm with oppositional based learning, named “Quasi-oppositional based Jaya algorithm” (QO-Jaya) is proposed in order to improve the performance of the Jaya algorithm. Three optimization case studies are considered and the results obtained by Jaya algorithm and QO-Jaya algorithm are compared with the results obtained by well-known optimization algorithms such as Genetic algorithm (GA), Particle swarm optimization (PSO), Imperialist competitive algorithm (ICA) and Teaching learning based optimization (TLBO).

Data processing and optimization system to study prospective interstate power interconnections

Science.gov (United States)

Podkovalnikov, Sergei; Trofimov, Ivan; Trofimov, Leonid

2018-01-01

The paper presents Data processing and optimization system for studying and making rational decisions on the formation of interstate electric power interconnections, with aim to increasing effectiveness of their functioning and expansion. The technologies for building and integrating a Data processing and optimization system including an object-oriented database and a predictive mathematical model for optimizing the expansion of electric power systems ORIRES, are described. The technology of collection and pre-processing of non-structured data collected from various sources and its loading to the object-oriented database, as well as processing and presentation of information in the GIS system are described. One of the approaches of graphical visualization of the results of optimization model is considered on the example of calculating the option for expansion of the South Korean electric power grid.

USAF Logistics Process Optimization Study for the Aircraft Asset Sustainment Process. Volume 2

National Research Council Canada - National Science Library

Adamson, Anthony

1998-01-01

.... It is published as three separate volumes. Volume I, USAF Logistics Process Optimization Study for the Aircraft Asset Sustainment Process -- Phase II Report, discusses the result and cost/benefit analysis of testing three initiatives...

USAF Logistics Process Optimization Study for the Aircraft Asset Sustainment Process. Volume 1

National Research Council Canada - National Science Library

Adamson, Anthony

1998-01-01

.... It is published as three separate volumes. Volume I, USAF Logistics Process Optimization Study for the Aircraft Asset Sustainment Process -- Phase II Report, discusses the result and cost/benefit analysis of testing three initiatives...

EQUILIBRIUM AND KINETIC PARAMETERS FOR THE SEDIMENTATION OF TARTARIC SALTS IN YOUNG WINES

Directory of Open Access Journals (Sweden)

Ecaterina Covaci

2015-06-01

Full Text Available In young wines potassium hydrogen tartrate is always present in supersaturating concentration and crystallizes spontaneously. The aim of this study is to obtain kinetic parameters, which explain the stability of young wines during the stabilization treatments. The kinetic and equilibrium parameters were evaluated and discussed. The heating factor has a decisive influence on the reaction rate of potassium hydrogen tartrate precipitation in young wines. An increase of temperature leads to a decrease in efficiency of stabilization process and to an enhancement of the activation energy of the system. According to the obtained experimental results, the optimal regime for production and stabilization of young wines has been established.

An experimental and kinetic modeling study of glycerol pyrolysis

International Nuclear Information System (INIS)

Fantozzi, F.; Frassoldati, A.; Bartocci, P.; Cinti, G.; Quagliarini, F.; Bidini, G.; Ranzi, E.M.

2016-01-01

Highlights: • Glycerol pyrolysis can produce about 44–48%v hydrogen at 750–800 °C. • A simplified 452 reactions kinetic model of glycerol pyrolysis has been developed. • The model has good agreement with experimental data. • Non condensable gas yields can reach 70%. - Abstract: Pyrolysis of glycerol, a by-product of the biodiesel industry, is an important potential source of hydrogen. The obtained high calorific value gas can be used either as a fuel for combined heat and power (CHP) generation or as a transportation fuel (for example hydrogen to be used in fuel cells). Optimal process conditions can improve glycerol pyrolysis by increasing gas yield and hydrogen concentration. A detailed kinetic mechanism of glycerol pyrolysis, which involves 137 species and more than 4500 reactions, was drastically simplified and reduced to a new skeletal kinetic scheme of 44 species, involved in 452 reactions. An experimental campaign with a batch pyrolysis reactor was properly designed to further validate the original and the skeletal mechanisms. The comparisons between model predictions and experimental data strongly suggest the presence of a catalytic process promoting steam reforming of methane. High pyrolysis temperatures (750–800 °C) improve process performances and non-condensable gas yields of 70%w can be achieved. Hydrogen mole fraction in pyrolysis gas is about 44–48%v. The skeletal mechanism developed can be easily used in Computational Fluid Dynamic software, reducing the simulation time.

A unified approach for description of gas hydrate formation kinetics in the presence of kinetic promoters in gas hydrate converters

International Nuclear Information System (INIS)

ZareNezhad, Bahman; Varaminian, Farshad

2013-01-01

Highlights: • A unified kinetic model for description of promoted and non-promoted gas hydrate formation processes is presented. • Effects of impeller speed, promoter concentration and different kinetic promoters are investigated. • A unique region of gas hydrate formation is identified regarding gas hydrate formation processes. • The proposed model is useful for understanding the behavior of gas hydrate formation processes and design of GTH converters. - Abstract: The kinetic promoters have found wide applications in enhancing the rate of energy conversion and storage via gas hydrate formation processes. Effects of different kinetic promoters such as anionic surfactants sodium dodecyl sulfate (SDS), dodecylbenzene sulfonic acid (DBSA), and sodium dodecyl benzene sulfonate (SDBS); cationic surfactants, Cetyl trimethyl ammonium bromide (CTAB), dodecyl trimethyl ammonium bromide (DTAB) and non-ionic surfactants, alkylpolyglucoside (APG), dodecyl polysaccharide glycoside (DPG), TritonX-100 (TX100) on methane (CH 4 ), ethane (C 2 H 6 ) and propane (C 3 H 8 ) gas hydrate formation processes are investigated in this work. A macroscopic kinetic model based on the time variations of reaction chemical potential is also presented for global description of gas hydrate formation processes. Experimental gas hydrate formation data are employed to validate the proposed kinetic model. Effects of promoter’s concentrations and agitation intensities on the gas consumption profiles are also investigated. A universal correlation and a unified kinetic map have been proposed for macroscopic description of gas hydrate formation kinetics in the presence or absence of kinetic promoters. According to the presented unified kinetic map, a unique region of gas hydrate formation is identified for the first time. For negligible amounts of kinetic promoters, the presented region disappears and approaches to a unique path at high agitation intensities. The presented unified approach is

Modeling physiological processes in plankton on enzyme kinetic principles

Directory of Open Access Journals (Sweden)

Ted Packard

2004-04-01

Full Text Available Many ecologically important chemical transformations in the ocean are controlled by biochemical enzyme reactions in plankton. Nitrogenase regulates the transformation of N2 to ammonium in some cyanobacteria and serves as the entryway for N2 into the ocean biosphere. Nitrate reductase controls the reduction of NO3 to NO2 and hence new production in phytoplankton. The respiratory electron transfer system in all organisms links the carbon oxidation reactions of intermediary metabolism with the reduction of oxygen in respiration. Rubisco controls the fixation of CO2 into organic matter in phytoplankton and thus is the major entry point of carbon into the oceanic biosphere. In addition to these, there are the enzymes that control CO2 production, NH4 excretion and the fluxes of phosphate. Some of these enzymes have been recognized and researched by marine scientists in the last thirty years. However, until recently the kinetic principles of enzyme control have not been exploited to formulate accurate mathematical equations of the controlling physiological expressions. Were such expressions available they would increase our power to predict the rates of chemical transformations in the extracellular environment of microbial populations whether this extracellular environment is culture media or the ocean. Here we formulate from the principles of bisubstrate enzyme kinetics, mathematical expressions for the processes of NO3 reduction, O2 consumption, N2 fixation, total nitrogen uptake.

Kinetics of two-stage fermentation process for the production of hydrogen

Energy Technology Data Exchange (ETDEWEB)

Nath, Kaushik [Department of Chemical Engineering, G.H. Patel College of Engineering and Technology, Vallabh Vidyanagar 388 120, Gujarat (India); Muthukumar, Manoj; Kumar, Anish; Das, Debabrata [Fermentation Technology Laboratory, Department of Biotechnology, Indian Institute of Technology, Kharagpur 721302 (India)

2008-02-15

Two-stage process described in the present work is a combination of dark and photofermentation in a sequential batch mode. In the first stage glucose is fermented to acetate, CO{sub 2} and H{sub 2} in an anaerobic dark fermentation by Enterobacter cloacae DM11. This is followed by a successive second stage where acetate is converted to H{sub 2} and CO{sub 2} in a photobioreactor by photosynthetic bacteria, Rhodobacter sphaeroides O.U. 001. The yield of hydrogen in the first stage was about 3.31molH{sub 2}(molglucose){sup -1} (approximately 82% of theoretical) and that in the second stage was about 1.5-1.72molH{sub 2}(molaceticacid){sup -1} (approximately 37-43% of theoretical). The overall yield of hydrogen in two-stage process considering glucose as preliminary substrate was found to be higher compared to a single stage process. Monod model, with incorporation of substrate inhibition term, has been used to determine the growth kinetic parameters for the first stage. The values of maximum specific growth rate ({mu} {sub max}) and K{sub s} (saturation constant) were 0.398h{sup -1} and 5.509gl{sup -1}, respectively, using glucose as substrate. The experimental substrate and biomass concentration profiles have good resemblance with those obtained by kinetic model predictions. A model based on logistic equation has been developed to describe the growth of R. sphaeroides O.U 001 in the second stage. Modified Gompertz equation was applied to estimate the hydrogen production potential, rate and lag phase time in a batch process for various initial concentration of glucose, based on the cumulative hydrogen production curves. Both the curve fitting and statistical analysis showed that the equation was suitable to describe the progress of cumulative hydrogen production. (author)

Topology Optimization for Reducing Additive Manufacturing Processing Distortions

Science.gov (United States)

2017-12-01

distribution is unlimited. 1. Introduction Additive manufacturing (AM) is a production method that involves gradual, layer- by-layer building of material... design space—allowing the production of pre- viously unmanufacturable topologically optimized structures—constraints remain. One constraint, for...ARL-TR-8242•DEC 2017 US Army Research Laboratory Topology Optimization for ReducingAdditive Manufacturing ProcessingDistortions by Raymond A Wildman

Road maintenance optimization through a discrete-time semi-Markov decision process

International Nuclear Information System (INIS)

Zhang Xueqing; Gao Hui

2012-01-01

Optimization models are necessary for efficient and cost-effective maintenance of a road network. In this regard, road deterioration is commonly modeled as a discrete-time Markov process such that an optimal maintenance policy can be obtained based on the Markov decision process, or as a renewal process such that an optimal maintenance policy can be obtained based on the renewal theory. However, the discrete-time Markov process cannot capture the real time at which the state transits while the renewal process considers only one state and one maintenance action. In this paper, road deterioration is modeled as a semi-Markov process in which the state transition has the Markov property and the holding time in each state is assumed to follow a discrete Weibull distribution. Based on this semi-Markov process, linear programming models are formulated for both infinite and finite planning horizons in order to derive optimal maintenance policies to minimize the life-cycle cost of a road network. A hypothetical road network is used to illustrate the application of the proposed optimization models. The results indicate that these linear programming models are practical for the maintenance of a road network having a large number of road segments and that they are convenient to incorporate various constraints on the decision process, for example, performance requirements and available budgets. Although the optimal maintenance policies obtained for the road network are randomized stationary policies, the extent of this randomness in decision making is limited. The maintenance actions are deterministic for most states and the randomness in selecting actions occurs only for a few states.

Optimal Control of Beer Fermentation Process Using Differential ...

African Journals Online (AJOL)

Optimal Control of Beer Fermentation Process Using Differential Transform Method. ... Journal of Applied Sciences and Environmental Management ... The method of differential transform was used to obtain the solution governing the fermentation process; the system of equation was transformed using the differential ...

Kinetics of physico-chemical processes during intensive mechanical processing of ZnO-MnO2 powder mixture

International Nuclear Information System (INIS)

Kakazey, M.; Vlasova, M.; Dominguez-Patino, M.; Juarez-Arellano, E.A.; Bykov, A.; Leon, I.; Siqueiros-Diaz, A.

2011-01-01

Experimental results of electron paramagnetic resonance spectra, X-ray diffraction, scanning electron microscopy and infrared spectroscopy demonstrate that the kinetic of the physical and chemical processes that takes place during prolonged intensive mechanical processing (MP, 0 MP >3120min) of powder mixtures of 50%wt ZnO+50%wt MnO 2 can be described as a three stage process. (1) 0 MP >30min, particles destruction, formation of superficial defects, fast increment of sample average temperature (from 290 to ∼600K) and annealing of defects with the lowest energy of activation E ac . (2) 30 MP >390min, further particle destruction, slow increment of sample average temperature (from ∼600 to ∼700K), formation and growth of a very disordered layer of β-MnO 2 around ZnO particles, dehydration of MnO 2 , formation of solid solution of Mn 2+ ions in ZnO, formation of nano-quasiamorphous states in the ZnO-MnO 2 mixture and onset of the formation of the ZnMnO 3 phase. (3) 390 MP >3120min, the sample average temperature remains constant (∼700K), the reaction is completed and the spinel ZnMnO 3 phase with a unit cell a=8.431(1) A and space group Fd3-barm is the only phase present in the sample. No ferromagnetism at room temperature was detected in this study. - Highlights: → The kinetics during mechanical processing of ZnO-MnO 2 samples is a three stage process. → First stage, reduction of crystallites size and accumulation of defects. → Second stage, nano-quasiamorphous states formation and onset of the ZnMnO 3 phase. → Third stage, complete reaction to the spinel ZnMnO 3 phase.

Optimization of the production process using virtual model of a workspace

Science.gov (United States)

Monica, Z.

2015-11-01

Optimization of the production process is an element of the design cycle consisting of: problem definition, modelling, simulation, optimization and implementation. Without the use of simulation techniques, the only thing which could be achieved is larger or smaller improvement of the process, not the optimization (i.e., the best result it is possible to get for the conditions under which the process works). Optimization is generally management actions that are ultimately bring savings in time, resources, and raw materials and improve the performance of a specific process. It does not matter whether it is a service or manufacturing process. Optimizing the savings generated by improving and increasing the efficiency of the processes. Optimization consists primarily of organizational activities that require very little investment, or rely solely on the changing organization of work. Modern companies operating in a market economy shows a significant increase in interest in modern methods of production management and services. This trend is due to the high competitiveness among companies that want to achieve success are forced to continually modify the ways to manage and flexible response to changing demand. Modern methods of production management, not only imply a stable position of the company in the sector, but also influence the improvement of health and safety within the company and contribute to the implementation of more efficient rules for standardization work in the company. This is why in the paper is presented the application of such developed environment like Siemens NX to create the virtual model of a production system and to simulate as well as optimize its work. The analyzed system is the robotized workcell consisting of: machine tools, industrial robots, conveyors, auxiliary equipment and buffers. In the program could be defined the control program realizing the main task in the virtual workcell. It is possible, using this tool, to optimize both the

First-order Convex Optimization Methods for Signal and Image Processing

DEFF Research Database (Denmark)

Jensen, Tobias Lindstrøm

2012-01-01

In this thesis we investigate the use of first-order convex optimization methods applied to problems in signal and image processing. First we make a general introduction to convex optimization, first-order methods and their iteration complexity. Then we look at different techniques, which can...... be used with first-order methods such as smoothing, Lagrange multipliers and proximal gradient methods. We continue by presenting different applications of convex optimization and notable convex formulations with an emphasis on inverse problems and sparse signal processing. We also describe the multiple...

Kinetics of a Migration－Driven Aggregation－Fragmentation Process

Institute of Scientific and Technical Information of China (English)

ZHUANGYou-Yi; LINZhen-Quan; KEJian-Hon~

2003-01-01

We propose a reversible model of the migration-driven aggregation-fragmentation process with the symmetric migration rate kernels K (k; j) = K′(k; j) =λkjv and the constant aggregation rates I1, I2 and fragmentation rates Jl, J2. Based on the mean-field theory, we investigate the evolution behavior of the aggregate size distributions in several cases with different values of index v. We find that the fragmentation reaction plays a more important role in the kinetic behaviors of the system than the aggregation and migration. When Jl = 0 and J2 = O, the aggregate size distributions αk(t) and bk(t) obey the conventional scaling law, while when Jl > 0 and J2 > O, they obey the modified scaling law with an exponential scaling function. The total mass of either species remains conserved.

Kinetics of a Migration-Driven Aggregation-Fragmentation Process

Institute of Scientific and Technical Information of China (English)

ZHUANG You-Yi; LIN Zhen-Quan; KE Jian-Hong

2003-01-01

We propose a reversible model of the migration-driven aggregation-fragmentation process with the sym-metric migration rate kernels K(k;j) = K'(k;j) = λkjv and the constant aggregation rates I1, I2 and fragmentationrates J1, J2. Based on the mean-field theory, we investigate the evolution behavior of the aggregate size distributions inseveral cases with different values of index v. We find that the fragmentation reaction plays a more important role in the kinetic behaviors of the system than the aggregation and migration. When J1 = 0 and J2 = 0, the aggregate sizedistributions ak(t) and bk(t) obey the conventional scaling law, while when J1 ＞ 0 and J2 ＞ 0, they obey the modifiedscaling law with an exponential scaling function. The total mass of either species remains conserved.

Development of a Procedure to Apply Detailed Chemical Kinetic Mechanisms to CFD Simulations as Post Processing

DEFF Research Database (Denmark)

Skjøth-Rasmussen, Martin Skov; Glarborg, Peter; Jensen, Anker

2003-01-01

mechanism. It involves post-processing of data extracted from computational fluid dynamics simulations. Application of this approach successfully describes combustion chemistry in a standard swirl burner, the so-called Harwell furnace. Nevertheless, it needs validation against more complex combustion models......It is desired to make detailed chemical kinetic mechanisms applicable to the complex geometries of practical combustion devices simulated with computational fluid dynamics tools. This work presents a novel general approach to combining computational fluid dynamics and a detailed chemical kinetic...

Study of physical mechanisms and their influence on dry anaerobic digestion kinetics: experimentations and modelization

International Nuclear Information System (INIS)

Bollon, Julien

2012-01-01

Anaerobic digestion is a biological process that converts organic matter into a methane rich gas (biogas). Among industrial technologies, dry processes (above 15 % total solid content) are more and more used because of their advantages in comparison with conventional wet processes. However, dry anaerobic digestion processes are poorly known and studied because of the 'pasty' nature of digestion media (rheological behavior, equilibria, transfers, biological kinetics). This thesis focuses on two major aspects: i) the nature of the chemical equilibria (sorption, diffusion) involved in digestion media, ii) the establishment and application of a kinetic model adapted to dry media. We first demonstrated that the diffusional mass transfer is highly reduced with increasing total solid without any agitation. One of the consequences is the importance of the liquid-gas transfer for the production of biogas. Then, we have developed a dedicated kinetic model that enables to understand the variability of the kinetic with total solid content. The impacts of this work are both at the laboratory scale, especially for the operation of Specific Methanogenic Activity tests, and at industrial scale, with the need to control total solid content for optimal efficiency, and to adapt the agitation to improve degradation yields. The developed model can be useful for the design and operation of bio-methanization facilities. (author) [fr

A coupled 3-D kinetics/system thermal-hydraulic analysis of main steam line break accident for Optimized Power Reactor 1000

Energy Technology Data Exchange (ETDEWEB)

Jin, Yung Kwon; Choi, Chul Jin; Kim, Eun Kee; Lee, Sang Yong [Korea Power Engineering Company, Inc, 150 Deokjin-dong, Yuseong-gu, Daejeon, 305-353 (Korea, Republic of)

2006-07-01

This paper presents the results of the coupled 3-D neutronics/thermal-hydraulic analysis of hypothetical main steam line break (MSLB) accident for Optimized Power Reactor 1000. One of the major concerns of this accident is a return-to-power occurrence accompanied with extremely large radial peaking near the stuck Control Element Assembly (CEA). The conventional point kinetics application does not properly account for this kind of asymmetric and local core behavior. Therefore, the current licensing method of point kinetics application introduces some uncertainties and conservatisms in the physics parameters generation, e.g., the static net scram rod worth, moderator cooldown reactivity, Doppler reactivity, and a 3-D peaking factor. The recently developed UNICORN-TM code system is applied for the 3-D coupled calculation, where neutronics code MASTER is coupled with the best-estimate system transient code RETRAN. The 3-D coupled results were assessed in comparison with those by point kinetics application using stand-alone RETRAN application. To quantify the 3-D reactivity benefits over point kinetics, both calculations assumed the accidents to be initiated from the same core state, e.g., end of cycle burnup, fuel and CEA configuration with the same initial moderator and Doppler temperature coefficient, and with initial system thermal-hydraulic condition. The core physics parameters required for point kinetics application were produced using MASTER with the method and procedure consistent with the current licensing application. The occurrence of return-to-power was simulated by intentionally reducing the net CEA worth in order to assess the spatial power distribution and local T-H effect on the dynamic reactivity feedback. The results have demonstrated that the 3-D analysis removes some of the conservatisms inherent in point kinetics analysis mainly caused by the inability to properly account for local reactivity feedback effects during return-to-power transient

A coupled 3-D kinetics/system thermal-hydraulic analysis of main steam line break accident for Optimized Power Reactor 1000

International Nuclear Information System (INIS)

Jin, Yung Kwon; Choi, Chul Jin; Kim, Eun Kee; Lee, Sang Yong

2006-01-01

This paper presents the results of the coupled 3-D neutronics/thermal-hydraulic analysis of hypothetical main steam line break (MSLB) accident for Optimized Power Reactor 1000. One of the major concerns of this accident is a return-to-power occurrence accompanied with extremely large radial peaking near the stuck Control Element Assembly (CEA). The conventional point kinetics application does not properly account for this kind of asymmetric and local core behavior. Therefore, the current licensing method of point kinetics application introduces some uncertainties and conservatisms in the physics parameters generation, e.g., the static net scram rod worth, moderator cooldown reactivity, Doppler reactivity, and a 3-D peaking factor. The recently developed UNICORN-TM code system is applied for the 3-D coupled calculation, where neutronics code MASTER is coupled with the best-estimate system transient code RETRAN. The 3-D coupled results were assessed in comparison with those by point kinetics application using stand-alone RETRAN application. To quantify the 3-D reactivity benefits over point kinetics, both calculations assumed the accidents to be initiated from the same core state, e.g., end of cycle burnup, fuel and CEA configuration with the same initial moderator and Doppler temperature coefficient, and with initial system thermal-hydraulic condition. The core physics parameters required for point kinetics application were produced using MASTER with the method and procedure consistent with the current licensing application. The occurrence of return-to-power was simulated by intentionally reducing the net CEA worth in order to assess the spatial power distribution and local T-H effect on the dynamic reactivity feedback. The results have demonstrated that the 3-D analysis removes some of the conservatisms inherent in point kinetics analysis mainly caused by the inability to properly account for local reactivity feedback effects during return-to-power transient

Improving fuel quality by whole crude oil hydrotreating: A kinetic model for hydrodeasphaltenization in a trickle bed reactor

International Nuclear Information System (INIS)

Jarullah, A.T.; Mujtaba, I.M.; Wood, A.S.

2012-01-01

Highlights: ► Asphaltene contaminant must be removed to a large extent from the fuel to meet the regulatory demand. ► Kinetics for hydrodeasphaltenization are estimated via experimentation and modeling. ► Using the kinetic parameters, a full process model for the trickle bed reactor (TBR) is developed. ► The model is used for simulating the behavior of the TBR to get further insight of the process. ► The influences of operating conditions in the hydrodeasphaltenization process are reported. -- Abstract: Fossil fuel is still a predominant source of the global energy requirement. Hydrotreating of whole crude oil has the ability to increase the productivity of middle distillate fractions and improve the fuel quality by simultaneously reducing contaminants such as sulfur, nitrogen, vanadium, nickel and asphaltene to the levels required by the regulatory bodies. Hydrotreating is usually carried out in a trickle bed reactor (TBR) where hydrodesulfurization (HDS), hydrodenitrogenation (HDN), hydrodemetallization (HDM) and hydrodeasphaltenization (HDAs) reactions take place simultaneously. To develop a detailed and a validated TBR process model which can be used for design and optimization of the hydrotreating process, it is essential to develop kinetic models for each of these reactions. Most recently, the authors have developed kinetic models for all of these chemical reactions except that of HDAs. In this work, a kinetic model (in terms of kinetic parameters) for the HDAs reaction in the TBR is developed. A three phase TBR process model incorporating the HDAs reactions with unknown kinetic parameters is developed. Also, a series of experiments has been conducted in an isothermal TBR under different operating conditions affecting the removal of asphaltene. The unknown kinetic parameters are then obtained by applying a parameter estimation technique based on minimization of the sum of square errors (SSEs) between the experimental and predicted concentrations of

Hierarchical optimal control of large-scale nonlinear chemical processes.

Science.gov (United States)

Ramezani, Mohammad Hossein; Sadati, Nasser

2009-01-01

In this paper, a new approach is presented for optimal control of large-scale chemical processes. In this approach, the chemical process is decomposed into smaller sub-systems at the first level, and a coordinator at the second level, for which a two-level hierarchical control strategy is designed. For this purpose, each sub-system in the first level can be solved separately, by using any conventional optimization algorithm. In the second level, the solutions obtained from the first level are coordinated using a new gradient-type strategy, which is updated by the error of the coordination vector. The proposed algorithm is used to solve the optimal control problem of a complex nonlinear chemical stirred tank reactor (CSTR), where its solution is also compared with the ones obtained using the centralized approach. The simulation results show the efficiency and the capability of the proposed hierarchical approach, in finding the optimal solution, over the centralized method.

Optimal integration of organic Rankine cycles with industrial processes

International Nuclear Information System (INIS)

Hipólito-Valencia, Brígido J.; Rubio-Castro, Eusiel; Ponce-Ortega, José M.; Serna-González, Medardo; Nápoles-Rivera, Fabricio; El-Halwagi, Mahmoud M.

2013-01-01

Highlights: • An optimization approach for heat integration is proposed. • A new general superstructure for heat integration is proposed. • Heat process streams are simultaneously integrated with an organic Rankine cycle. • Better results can be obtained respect to other previously reported methodologies. - Abstract: This paper presents a procedure for simultaneously handling the problem of optimal integration of regenerative organic Rankine cycles (ORCs) with overall processes. ORCs may allow the recovery of an important fraction of the low-temperature process excess heat (i.e., waste heat from industrial processes) in the form of mechanical energy. An integrated stagewise superstructure is proposed for representing the interconnections and interactions between the HEN and ORC for fixed data of process streams. Based on the integrated superstructure, the optimization problem is formulated as a mixed integer nonlinear programming problem to simultaneously account for the capital and operating costs including the revenue from the sale of the shaft power produced by the integrated system. The application of this method is illustrated with three example problems. Results show that the proposed procedure provides significantly better results than an earlier developed method for discovering optimal integrated systems using a sequential approach, due to the fact that it accounts simultaneously for the tradeoffs between the capital and operating costs as well as the sale of the produced energy. Also, the proposed method is an improvement over the previously reported methods for solving the synthesis problem of heat exchanger networks without the option of integration with an ORC (i.e., stand-alone heat exchanger networks)

Model-free pyrolysis kinetics of sunflower seed and its de-oiled cake

International Nuclear Information System (INIS)

Özsin, Gamzenur; Kilic, Murat; Pütün, Ersan; Pütün, Ayşe E.

2015-01-01

Sunflower seed wastes from oil production are a potential biomass source for bio- energy production due to extensive and excessive oil production from sunflower seeds. Considering global energy requirement, pyrolysis seems a promising route for utilisation of such industrial biomass wastes. To develop, scale-up and operate pyrolysis plants efficiently, a fundamental understanding of pyrolysis behaviour and kinetics is essential. In this study, sunflower seeds and their waste cakes after extraction were evaluated as a potential biomass feedstock in pyrolysis process. In order to enlighten pyrolytic degradation behaviours, samples were pyrolysed under dynamic conditions from room temperature to 1000 °C using multiple heating rates. The main degradation regimes of the structures were characterized by high weight loss rates. Reaction kinetics was investigated with respect to conversion degree. It is anticipated that this study will be beneficial in optimizing the thermochemical processes, which may be utilize industrial biomass wastes. (full text)

PROCESS TIME OPTIMIZATION IN DEPOSITOR AND FILLER

Directory of Open Access Journals (Sweden)

Jesús Iván Ruíz-Ibarra

2017-07-01

Full Text Available As in any industry, in soft drink manufacturing demand, customer service and production is of great importance that forces this production to have their equipment and production machines in optimal conditions for the product to be in the hands of the consumer without delays, therefore it is important to have the established times of each process, since the syrup is elaborated, packaged, distributed, until it is purchased by the consumer. After a chronometer analysis, the most common faults were detected in each analyzed process. In the filler machine the most frequent faults are: accumulation of bottles in the subsequent and previous processes to filling process, which in general the cause of the collection of bottles is due to failures in the other equipment of the production line. In the process of unloading the most common faults are: boxes jammed in bump and pusher (pushing boxes; boxes fallen in rollers and platforms transporter. According to observations in each machine, the actions to be followed are presented to solve the problems that arise. Also described the methodology to obtain results, to data analyze and decisions. Firstly an analysis of operations is done to know each machine, supported by the manuals of the machines and the operators themselves a study of times is done by chronometer to determine the standard time of the process where also they present the most common faults, then observations are made on the machines according to the determined sample size, thus obtaining the information necessary to take measurements and to make the study of optimization of the production processes. An analysis of the predetermined process times is also performed by the MTM methods and the MOST time analysis. The results of operators with MTM: Fault Filler = 0.846 minutes, Faultless Filler = 0.61 minutes, Fault Breaker = 0.74 minutes and Fault Flasher = 0.45 minutes. The results of MOST operators are: Fault Filler = 2.58 minutes, Filler Fails

Quantum field kinetics of QCD: Quark-gluon transport theory for light-cone-dominated processes

International Nuclear Information System (INIS)

Geiger, K.

1996-01-01

A quantum-kinetic formalism is developed to study the dynamical interplay of quantum and statistical-kinetic properties of nonequilibrium multiparton systems produced in high-energy QCD processes. The approach provides the means to follow the quantum dynamics in both space-time and energy-momentum, starting from an arbitrary initial configuration of high-momentum quarks and gluons. Using a generalized functional integral representation and adopting the open-quote open-quote closed-time-path close-quote close-quote Green function techniques, a self-consistent set of equations of motions is obtained: a Ginzburg-Landau equation for a possible color background field, and Dyson-Schwinger equations for the two-point functions of the gluon and quark fields. By exploiting the open-quote open-quote two-scale nature close-quote close-quote of light-cone-dominated QCD processes, i.e., the separation between the quantum scale that specifies the range of short-distance quantum fluctuations, and the kinetic scale that characterizes the range of statistical binary interactions, the quantum field equations of motion are converted into a corresponding set of open-quote open-quote renormalization equations close-quote close-quote and open-quote open-quote transport equations.close-quote close-quote The former describe renormalization and dissipation effects through the evolution of the spectral density of individual, dressed partons, whereas the latter determine the statistical occurrence of scattering processes among these dressed partons. The renormalization equations and the transport equations are coupled, and, hence, must be solved self-consistently. This amounts to evolving the multiparton system, from a specified initial configuration, in time and full seven-dimensional phase space, constrained by the Heisenberg uncertainty principle. (Abstract Truncated)

New kinetic insight into the spontaneous oxidation process of lithium in air by EPMA

Energy Technology Data Exchange (ETDEWEB)

Otero, Manuel [IFEG, Facultad de Matemáticas, Astronomía y Física, Universidad Nacional de Córdoba, Córdoba (Argentina); INFICQ, Departamento de Matemáticas y Física, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Córdoba (Argentina); Lener, German [INFAP, Facultad de Ciencias Físico Matemáticas y Naturales, Universidad Nacional de San Luis, San Luis (Argentina); Trincavelli, Jorge, E-mail: trincavelli@famaf.unc.edu.ar [IFEG, Facultad de Matemáticas, Astronomía y Física, Universidad Nacional de Córdoba, Córdoba (Argentina); Barraco, Daniel [IFEG, Facultad de Matemáticas, Astronomía y Física, Universidad Nacional de Córdoba, Córdoba (Argentina); Nazzarro, Marcelo Sandro; Furlong, Octavio [INFAP, Facultad de Ciencias Físico Matemáticas y Naturales, Universidad Nacional de San Luis, San Luis (Argentina); Leiva, Ezequiel Pedro Marcos [INFICQ, Departamento de Matemáticas y Física, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Córdoba (Argentina)

2016-10-15

Highlights: • EPMA measurements and Monte Carlo simulations were applied to study the corrosion process of Li in air. • The kinetic mechanism of corrosion was discussed. • A diffusion process of water through LiOH was found and quantitatively studied. - Abstract: The exposure of metallic lithium to ambient air produces a fast corrosion reaction of the surface that continues to the bulk of the material. This spontaneous process was explored by means of X-ray Photoelectron Spectroscopy (XPS) and Electron Probe Micro-Analysis (EPMA). The combination of these techniques and Monte Carlo simulations allowed observing the formation of a film of lithium hydroxide (LiOH) and studying the growth within the material during the first 300 s. The corrosion is mainly due to the reaction of lithium with water and the diffusion of water through the growing LiOH film is the rate determining step. On the basis of a kinetic analysis we studied the mechanism of reaction and inferred a diffusion coefficient of D = (5.1 ± 0.4) × 10{sup −12} cm{sup 2}/s in agreement with results from the literature obtained using different techniques.

Benchmarking of radiological departments. Starting point for successful process optimization

International Nuclear Information System (INIS)

Busch, Hans-Peter

2010-01-01

Continuous optimization of the process of organization and medical treatment is part of the successful management of radiological departments. The focus of this optimization can be cost units such as CT and MRI or the radiological parts of total patient treatment. Key performance indicators for process optimization are cost- effectiveness, service quality and quality of medical treatment. The potential for improvements can be seen by comparison (benchmark) with other hospitals and radiological departments. Clear definitions of key data and criteria are absolutely necessary for comparability. There is currently little information in the literature regarding the methodology and application of benchmarks especially from the perspective of radiological departments and case-based lump sums, even though benchmarking has frequently been applied to radiological departments by hospital management. The aim of this article is to describe and discuss systematic benchmarking as an effective starting point for successful process optimization. This includes the description of the methodology, recommendation of key parameters and discussion of the potential for cost-effectiveness analysis. The main focus of this article is cost-effectiveness (efficiency and effectiveness) with respect to cost units and treatment processes. (orig.)

Drug-Target Kinetics in Drug Discovery.

Science.gov (United States)

Tonge, Peter J

2018-01-17

The development of therapies for the treatment of neurological cancer faces a number of major challenges including the synthesis of small molecule agents that can penetrate the blood-brain barrier (BBB). Given the likelihood that in many cases drug exposure will be lower in the CNS than in systemic circulation, it follows that strategies should be employed that can sustain target engagement at low drug concentration. Time dependent target occupancy is a function of both the drug and target concentration as well as the thermodynamic and kinetic parameters that describe the binding reaction coordinate, and sustained target occupancy can be achieved through structural modifications that increase target (re)binding and/or that decrease the rate of drug dissociation. The discovery and deployment of compounds with optimized kinetic effects requires information on the structure-kinetic relationships that modulate the kinetics of binding, and the molecular factors that control the translation of drug-target kinetics to time-dependent drug activity in the disease state. This Review first introduces the potential benefits of drug-target kinetics, such as the ability to delineate both thermodynamic and kinetic selectivity, and then describes factors, such as target vulnerability, that impact the utility of kinetic selectivity. The Review concludes with a description of a mechanistic PK/PD model that integrates drug-target kinetics into predictions of drug activity.

OPTIMIZATION OF FLOCCULATION PROCESS BY MICROBIAL COAGULANT IN RIVER WATER

Directory of Open Access Journals (Sweden)

Fatin Nabilah Murad

2017-12-01

Full Text Available The existing process of coagulation and flocculation are using chemicals that known as cationic coagulant such as alum, ferric sulfate, calcium oxide, and organic polymers.  Thus, this study concentrates on optimizing of flocculation process by microbial coagulant in river water. Turbidity and suspended solids are the main constraints of river water quality in Malaysia. Hence, a study is proposed to produce microbial coagulants isolated locally for river water treatment. The chosen microbe used as the bioflocculant producer is Aspergillus niger. The parameters to optimization in the flocculation process were pH, bioflocculant dosage and effluent concentration. The research was done in the jar test process and the process parameters for maximum turbidity removal was validated. The highest flocculating activity was obtained on day seven of cultivation in the supernatant. The optimum pH and bioflocculant dosage for an optimize sedimentation process were between 4-5 and 2-3 mL for 0.3 g/L of effluent concentration respectively. The model was validated by using a river water sample from Sg. Pusu and the result showed that the model was acceptable to evaluate the bioflocculation process.

Production of Low Cost Carbon-Fiber through Energy Optimization of Stabilization Process

Directory of Open Access Journals (Sweden)

Gelayol Golkarnarenji

2018-03-01

Full Text Available To produce high quality and low cost carbon fiber-based composites, the optimization of the production process of carbon fiber and its properties is one of the main keys. The stabilization process is the most important step in carbon fiber production that consumes a large amount of energy and its optimization can reduce the cost to a large extent. In this study, two intelligent optimization techniques, namely Support Vector Regression (SVR and Artificial Neural Network (ANN, were studied and compared, with a limited dataset obtained to predict physical property (density of oxidative stabilized PAN fiber (OPF in the second zone of a stabilization oven within a carbon fiber production line. The results were then used to optimize the energy consumption in the process. The case study can be beneficial to chemical industries involving carbon fiber manufacturing, for assessing and optimizing different stabilization process conditions at large.

Kinetic Behavior of Exchange-Driven Growth with Catalyzed-Birth Processes

Science.gov (United States)

Wang, Hai-Feng; Lin, Zhen-Quan; Kong, Xiang-Mu

2006-12-01

Two catalyzed-birth models of n-species (n>=2) aggregates with exchange-driven growth processes are proposed and compared. In the first one, the exchange reaction occurs between any two aggregates Amk and Amj of the same species with the rate kernels Km(k,j) = Kmkj (m = 1,2,...,n, n>=2), and aggregates of An species catalyze a monomer-birth of Al species (l = 1,2,...,n-1) with the catalysis rate kernel Jl(k,j) = Jlkjυ. The kinetic behaviors are investigated by means of the mean-field theory. We find that the evolution behavior of aggregate-size distribution alk(t) of Al species depends crucially on the value of the catalysis rate parameter υ: (i) alk(t) obeys the conventional scaling law in the case of υ0. In the second model, the mechanism of monomer-birth of An-species catalyzed by Al species is added on the basis of the first model, that is, the aggregates of Al and An species catalyze each other to cause monomer-birth. The kinetic behaviors of Al and An species are found to fall into two categories for the different υ: (i) growth obeying conventional scaling form with υ0.

Sorption isotherms, kinetic and optimization process of amino acid proline based polymer nanocomposite for the removal of selected textile dyes from industrial wastewater.

Science.gov (United States)

Raghunath, Sharista; Anand, K; Gengan, R M; Nayunigari, Mithil Kumar; Maity, Arjun

2016-12-01

In this article, adsorption and kinetic studies were carried out on three textile dyes, namely Reactive Blue 222 (RB 222), Reactive Red 195 (RR 195) and Reactive Yellow 145 (RY 145). The dyes studied in a mixture were adsorbed under various conditions onto PRO-BEN, a bentonite modified with a new cationic proline polymer (l-proline-epichlorohydrin polymer). The proline polymer was characterized by 1 H NMR, Fourier transform infrared spectroscopy (FT-IR), dynamic light scattering (DLS) and TEM. The PRO-BEN composite was characterized by FT-IR, dynamic light scattering (DLS) (zeta potential), TEM imaging, SEM/EDX and X-ray photoelectron spectroscopy (characterize the binding energy). During adsorption studies, factors involving pH, temperature, the initial concentrations of the dyes and the quantity of PRO-BEN used during adsorption were established. The results revealed that the adsorption mechanism was categorized by the Langmuir type 1 isotherm. The adsorption data followed the pseudo-second order kinetic model. The intraparticle diffusion model indicated that adsorption did not only depend on the intraparticle diffusion of the dyes. The thermodynamic parameters verified that the adsorption process was spontaneous and exothermic. The Gibbs free energy values indicated that physisorption had occurred. Successful adsorption of dyes from an industrial effluent was achieved. Desorption studies concluded that PRO-BEN desorbed the dyes better than alumina. This can thereby be viewed as a recyclable remediation material. The PRO-BEN composite could be a cost efficient alternative towards the removal of organic dyes in wastewater treatment. Copyright © 2016 Elsevier B.V. All rights reserved.

When teams shift among processes: insights from simulation and optimization.

Science.gov (United States)

Kennedy, Deanna M; McComb, Sara A

2014-09-01

This article introduces process shifts to study the temporal interplay among transition and action processes espoused in the recurring phase model proposed by Marks, Mathieu, and Zacarro (2001). Process shifts are those points in time when teams complete a focal process and change to another process. By using team communication patterns to measure process shifts, this research explores (a) when teams shift among different transition processes and initiate action processes and (b) the potential of different interventions, such as communication directives, to manipulate process shift timing and order and, ultimately, team performance. Virtual experiments are employed to compare data from observed laboratory teams not receiving interventions, simulated teams receiving interventions, and optimal simulated teams generated using genetic algorithm procedures. Our results offer insights about the potential for different interventions to affect team performance. Moreover, certain interventions may promote discussions about key issues (e.g., tactical strategies) and facilitate shifting among transition processes in a manner that emulates optimal simulated teams' communication patterns. Thus, we contribute to theory regarding team processes in 2 important ways. First, we present process shifts as a way to explore the timing of when teams shift from transition to action processes. Second, we use virtual experimentation to identify those interventions with the greatest potential to affect performance by changing when teams shift among processes. Additionally, we employ computational methods including neural networks, simulation, and optimization, thereby demonstrating their applicability in conducting team research. PsycINFO Database Record (c) 2014 APA, all rights reserved.

Optimal control of stretching process of flexible solar arrays on spacecraft based on a hybrid optimization strategy

Directory of Open Access Journals (Sweden)

Qijia Yao

2017-07-01

Full Text Available The optimal control of multibody spacecraft during the stretching process of solar arrays is investigated, and a hybrid optimization strategy based on Gauss pseudospectral method (GPM and direct shooting method (DSM is presented. First, the elastic deformation of flexible solar arrays was described approximately by the assumed mode method, and a dynamic model was established by the second Lagrangian equation. Then, the nonholonomic motion planning problem is transformed into a nonlinear programming problem by using GPM. By giving fewer LG points, initial values of the state variables and control variables were obtained. A serial optimization framework was adopted to obtain the approximate optimal solution from a feasible solution. Finally, the control variables were discretized at LG points, and the precise optimal control inputs were obtained by DSM. The optimal trajectory of the system can be obtained through numerical integration. Through numerical simulation, the stretching process of solar arrays is stable with no detours, and the control inputs match the various constraints of actual conditions. The results indicate that the method is effective with good robustness. Keywords: Motion planning, Multibody spacecraft, Optimal control, Gauss pseudospectral method, Direct shooting method

Microwave irradiation enhances kinetics of the biomimetic process of hydroxyapatite nanocomposites

International Nuclear Information System (INIS)

Guha, Avijit; Nayar, Suprabha; Thatoi, H N

2010-01-01

In situ synthesized hydroxyapatite-poly(vinyl) alcohol nanocomposite was subjected to microwave irradiation, post synthesis. Interestingly, the aging time of 1 week required for the normal biomimetic process was reduced to 1 h post microwave irradiation, as characterized by x-ray powder diffraction and transmission electron microscopy. The surface topography shows the tendency of tubules to cross-link with the help of microwave energy. The microwave energy seems to provide a directional pull to the polymer chains which could have led to an enhancement of the kinetics of phase formation. (communication)

Process and kinetics of the fundamental radiation-electrochemical reactions in the primary coolant loop of nuclear reactors

International Nuclear Information System (INIS)

Kozomara-Maic, S.

1987-06-01

In spite of the rather broad title of this report, its major part is devoted to the corrosion problems at the RA reactor, i.e. causes and consequences of the reactor shutdown in 1979 and 1982. Some problems of reactor chemistry are pointed out because they are significant for future reactor operation. The final conclusion of this report is that corrosion processes in the primary coolant circuit of the nuclear reactor are specific and that radiation effects cannot be excluded when processes and reaction kinetics are investigated. Knowledge about the kinetics of all the chemical reactions occurring in the primary coolant loop are of crucial significance for safe and economical reactor operation [sr

A Technical Survey on Optimization of Processing Geo Distributed Data

Science.gov (United States)

Naga Malleswari, T. Y. J.; Ushasukhanya, S.; Nithyakalyani, A.; Girija, S.

2018-04-01

With growing cloud services and technology, there is growth in some geographically distributed data centers to store large amounts of data. Analysis of geo-distributed data is required in various services for data processing, storage of essential information, etc., processing this geo-distributed data and performing analytics on this data is a challenging task. The distributed data processing is accompanied by issues in storage, computation and communication. The key issues to be dealt with are time efficiency, cost minimization, utility maximization. This paper describes various optimization methods like end-to-end multiphase, G-MR, etc., using the techniques like Map-Reduce, CDS (Community Detection based Scheduling), ROUT, Workload-Aware Scheduling, SAGE, AMP (Ant Colony Optimization) to handle these issues. In this paper various optimization methods and techniques used are analyzed. It has been observed that end-to end multiphase achieves time efficiency; Cost minimization concentrates to achieve Quality of Service, Computation and reduction of Communication cost. SAGE achieves performance improvisation in processing geo-distributed data sets.

Functional Enzyme-Based Approach for Linking Microbial Community Functions with Biogeochemical Process Kinetics

Energy Technology Data Exchange (ETDEWEB)

Li, Minjing [School; Qian, Wei-jun [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Gao, Yuqian [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Shi, Liang [School; Liu, Chongxuan [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; School

2017-09-28

The kinetics of biogeochemical processes in natural and engineered environmental systems are typically described using Monod-type or modified Monod-type models. These models rely on biomass as surrogates for functional enzymes in microbial community that catalyze biogeochemical reactions. A major challenge to apply such models is the difficulty to quantitatively measure functional biomass for constraining and validating the models. On the other hand, omics-based approaches have been increasingly used to characterize microbial community structure, functions, and metabolites. Here we proposed an enzyme-based model that can incorporate omics-data to link microbial community functions with biogeochemical process kinetics. The model treats enzymes as time-variable catalysts for biogeochemical reactions and applies biogeochemical reaction network to incorporate intermediate metabolites. The sequences of genes and proteins from metagenomes, as well as those from the UniProt database, were used for targeted enzyme quantification and to provide insights into the dynamic linkage among functional genes, enzymes, and metabolites that are necessary to be incorporated in the model. The application of the model was demonstrated using denitrification as an example by comparing model-simulated with measured functional enzymes, genes, denitrification substrates and intermediates

Optimization and Improvement of Test Processes on a Production Line

Science.gov (United States)

Sujová, Erika; Čierna, Helena

2018-06-01

The paper deals with increasing processes efficiency at a production line of cylinder heads of engines in a production company operating in the automotive industry. The goal is to achieve improvement and optimization of test processes on a production line. It analyzes options for improving capacity, availability and productivity of processes of an output test by using modern technology available on the market. We have focused on analysis of operation times before and after optimization of test processes at specific production sections. By analyzing measured results we have determined differences in time before and after improvement of the process. We have determined a coefficient of efficiency OEE and by comparing outputs we have confirmed real improvement of the process of the output test of cylinder heads.

Transformation kinetics for nucleus clusters

International Nuclear Information System (INIS)

Villa, Elena; Rios, Paulo R.

2009-01-01

A rigorous mathematical approach based on stochastic geometry concepts is presented to extend previous Johnson-Mehl, Avrami, Kolmogorov treatment of transformation kinetics to situations in which nuclei are not homogeneously located in space but are located in clusters. An exact analytical solution is presented here for the first time assuming that nucleation sites follow a Matern cluster process. The influence of Matern cluster process parameters on subsequent growth kinetics and the microstructural path are illustrated by means of numerical examples. Moreover, using the superposition principle, exact analytical solutions are also obtained when nucleation takes place by a combination of a Matern cluster process and an inhomogeneous Poisson point process. The new solutions presented here significantly increase the number of exactly solvable cases available to formal kinetics.

A Multivariate Quality Loss Function Approach for Optimization of Spinning Processes

Science.gov (United States)

Chakraborty, Shankar; Mitra, Ankan

2018-05-01

Recent advancements in textile industry have given rise to several spinning techniques, such as ring spinning, rotor spinning etc., which can be used to produce a wide variety of textile apparels so as to fulfil the end requirements of the customers. To achieve the best out of these processes, they should be utilized at their optimal parametric settings. However, in presence of multiple yarn characteristics which are often conflicting in nature, it becomes a challenging task for the spinning industry personnel to identify the best parametric mix which would simultaneously optimize all the responses. Hence, in this paper, the applicability of a new systematic approach in the form of multivariate quality loss function technique is explored for optimizing multiple quality characteristics of yarns while identifying the ideal settings of two spinning processes. It is observed that this approach performs well against the other multi-objective optimization techniques, such as desirability function, distance function and mean squared error methods. With slight modifications in the upper and lower specification limits of the considered quality characteristics, and constraints of the non-linear optimization problem, it can be successfully applied to other processes in textile industry to determine their optimal parametric settings.

Forecasting optimal duration of a beer main fermentation process using the Kalman filter

OpenAIRE

Niyonsaba T.; Pavlov V.A.

2016-01-01

One of the most important processes of beer production is the main process of fermentation. In this process, the wort transforms into beer. The quality of beer depends on the dynamics of wort parameters. The main fermentation process continues for 10 days and requires high costs. Therefore, the main purpose of this article is to forecast the optimal duration of the beer main fermentation process and provide its optimal control. The Kalman filter can provide optimal control of the main ferment...

Simulation and optimization of fractional crystallization processes

DEFF Research Database (Denmark)

Thomsen, Kaj; Rasmussen, Peter; Gani, Rafiqul

1998-01-01

A general method for the calculation of various types of phase diagrams for aqueous electrolyte mixtures is outlined. It is shown how the thermodynamic equilibrium precipitation process can be used to satisfy the operational needs of industrial crystallizer/centrifuge units. Examples of simulation...... and optimization of fractional crystallization processes are shown. In one of these examples, a process with multiple steady states is analyzed. The thermodynamic model applied for describing the highly non-ideal aqueous electrolyte systems is the Extended UNIQUAC model. (C) 1998 Published by Elsevier Science Ltd...

Kinetic studies on batch cultivation of Trichoderma reesei and application to enhance cellulase production by fed-batch fermentation.

Science.gov (United States)

Ma, Lijuan; Li, Chen; Yang, Zhenhua; Jia, Wendi; Zhang, Dongyuan; Chen, Shulin

2013-07-20

Reducing the production cost of cellulase as the key enzyme for cellulose hydrolysis to fermentable sugars remains a major challenge for biofuel production. Because of the complexity of cellulase production, kinetic modeling and mass balance calculation can be used as effective tools for process design and optimization. In this study, kinetic models for cell growth, substrate consumption and cellulase production in batch fermentation were developed, and then applied in fed-batch fermentation to enhance cellulase production. Inhibition effect of substrate was considered and a modified Luedeking-Piret model was developed for cellulase production and substrate consumption according to the growth characteristics of Trichoderma reesei. The model predictions fit well with the experimental data. Simulation results showed that higher initial substrate concentration led to decrease of cellulase production rate. Mass balance and kinetic simulation results were applied to determine the feeding strategy. Cellulase production and its corresponding productivity increased by 82.13% after employing the proper feeding strategy in fed-batch fermentation. This method combining mathematics and chemometrics by kinetic modeling and mass balance can not only improve cellulase fermentation process, but also help to better understand the cellulase fermentation process. The model development can also provide insight to other similar fermentation processes. Copyright © 2013 Elsevier B.V. All rights reserved.

Integrated electrocoagulation-electrooxidation process for the treatment of soluble coffee effluent: Optimization of COD degradation and operation time analysis.

Science.gov (United States)

Ibarra-Taquez, Harold N; GilPavas, Edison; Blatchley, Ernest R; Gómez-García, Miguel-Ángel; Dobrosz-Gómez, Izabela

2017-09-15

Soluble coffee production generates wastewater containing complex mixtures of organic macromolecules. In this work, a sequential Electrocoagulation-Electrooxidation (EC-EO) process, using aluminum and graphite electrodes, was proposed as an alternative way for the treatment of soluble coffee effluent. Process operational parameters were optimized, achieving total decolorization, as well as 74% and 63.5% of COD and TOC removal, respectively. The integrated EC-EO process yielded a highly oxidized (AOS = 1.629) and biocompatible (BOD 5 /COD ≈ 0.6) effluent. The Molecular Weight Distribution (MWD) analysis showed that during the EC-EO process, EC effectively decomposed contaminants with molecular weight in the range of 10-30 kDa. In contrast, EO was quite efficient in mineralization of contaminants with molecular weight higher than 30 kDa. A kinetic analysis allowed determination of the time required to meet Colombian permissible discharge limits. Finally, a comprehensive operational cost analysis was performed. The integrated EC-EO process was demonstrated as an efficient alternative for the treatment of industrial effluents resulting from soluble coffee production. Copyright © 2017 Elsevier Ltd. All rights reserved.

Intracellular response to process optimization and impact on productivity and product aggregates for a high-titer CHO cell process.

Science.gov (United States)

Handlogten, Michael W; Lee-O'Brien, Allison; Roy, Gargi; Levitskaya, Sophia V; Venkat, Raghavan; Singh, Shailendra; Ahuja, Sanjeev

2018-01-01

A key goal in process development for antibodies is to increase productivity while maintaining or improving product quality. During process development of an antibody, titers were increased from 4 to 10 g/L while simultaneously decreasing aggregates. Process development involved optimization of media and feed formulations, feed strategy, and process parameters including pH and temperature. To better understand how CHO cells respond to process changes, the changes were implemented in a stepwise manner. The first change was an optimization of the feed formulation, the second was an optimization of the medium, and the third was an optimization of process parameters. Multiple process outputs were evaluated including cell growth, osmolality, lactate production, ammonium concentration, antibody production, and aggregate levels. Additionally, detailed assessment of oxygen uptake, nutrient and amino acid consumption, extracellular and intracellular redox environment, oxidative stress, activation of the unfolded protein response (UPR) pathway, protein disulfide isomerase (PDI) expression, and heavy and light chain mRNA expression provided an in-depth understanding of the cellular response to process changes. The results demonstrate that mRNA expression and UPR activation were unaffected by process changes, and that increased PDI expression and optimized nutrient supplementation are required for higher productivity processes. Furthermore, our findings demonstrate the role of extra- and intracellular redox environment on productivity and antibody aggregation. Processes using the optimized medium, with increased concentrations of redox modifying agents, had the highest overall specific productivity, reduced aggregate levels, and helped cells better withstand the high levels of oxidative stress associated with increased productivity. Specific productivities of different processes positively correlated to average intracellular values of total glutathione. Additionally

Study on copper kinetics in processing sulphide ore mixed with copper and zinc with sulfuric acid leaching under pressure

Science.gov (United States)

Wen-bo, LUO; Ji-kun, WANG; Yin, GAN

2018-01-01

Sulphide ore mixed with copper and zinc is processed with pressure acid leaching. Research is conducted on the copper kinetic. The stirring rate is set at 600 rpm which could eliminate the influence of external diffusions. Research is conducted on the factors affecting the copper leaching kinetic are temperature, pressure, concentration of sulfuric acid, particle size. The result shows that the apparent activity energy is 50.7 KJ/mol. We could determine that the copper leaching process is shrinking core model of chemical reaction control and work out the leaching equation.

Kinetics of physico-chemical processes during intensive mechanical processing of ZnO-MnO{sub 2} powder mixture

Energy Technology Data Exchange (ETDEWEB)

Kakazey, M.; Vlasova, M.; Dominguez-Patino, M. [CIICAp-Universidad Autonoma del Estado de Morelos, Cuernavaca (Mexico); Juarez-Arellano, E.A., E-mail: eajuarez@unpa.edu.mx [Universidad del Papaloapan, Tuxtepec, Oaxaca (Mexico); Bykov, A. [Institute for Problems of Materials Science of NASU, Kyiv (Ukraine); Leon, I. [CIQ-Universidad Autonoma del Estado de Morelos, Cuernavaca (Mexico); Siqueiros-Diaz, A. [FCQI-Universidad Autonoma del Estado de Morelos, Cuernavaca (Mexico)

2011-10-15

Experimental results of electron paramagnetic resonance spectra, X-ray diffraction, scanning electron microscopy and infrared spectroscopy demonstrate that the kinetic of the physical and chemical processes that takes place during prolonged intensive mechanical processing (MP, 03120min) of powder mixtures of 50%wt ZnO+50%wt MnO{sub 2} can be described as a three stage process. (1) 030min, particles destruction, formation of superficial defects, fast increment of sample average temperature (from 290 to {approx}600K) and annealing of defects with the lowest energy of activation E{sub ac}. (2) 30390min, further particle destruction, slow increment of sample average temperature (from {approx}600 to {approx}700K), formation and growth of a very disordered layer of {beta}-MnO{sub 2} around ZnO particles, dehydration of MnO{sub 2}, formation of solid solution of Mn{sup 2+} ions in ZnO, formation of nano-quasiamorphous states in the ZnO-MnO{sub 2} mixture and onset of the formation of the ZnMnO{sub 3} phase. (3) 3903120min, the sample average temperature remains constant ({approx}700K), the reaction is completed and the spinel ZnMnO{sub 3} phase with a unit cell a=8.431(1) A and space group Fd3-barm is the only phase present in the sample. No ferromagnetism at room temperature was detected in this study. - Highlights: > The kinetics during mechanical processing of ZnO-MnO{sub 2} samples is a three stage process. > First stage, reduction of crystallites size and accumulation of defects. > Second stage, nano-quasiamorphous states formation and onset of the ZnMnO{sub 3} phase. > Third stage, complete reaction to the spinel ZnMnO{sub 3} phase.

Kinetic model of continuous ethanol fermentation in closed-circulating process with pervaporation membrane bioreactor by Saccharomyces cerevisiae.

Science.gov (United States)

Fan, Senqing; Chen, Shiping; Tang, Xiaoyu; Xiao, Zeyi; Deng, Qing; Yao, Peina; Sun, Zhaopeng; Zhang, Yan; Chen, Chunyan

2015-02-01

Unstructured kinetic models were proposed to describe the principal kinetics involved in ethanol fermentation in a continuous and closed-circulating fermentation (CCCF) process with a pervaporation membrane bioreactor. After ethanol was removed in situ from the broth by the membrane pervaporation, the secondary metabolites accumulated in the broth became the inhibitors to cell growth. The cell death rate related to the deterioration of the culture environment was described as a function of the cell concentration and fermentation time. In CCCF process, 609.8 g L(-1) and 750.1 g L(-1) of ethanol production were obtained in the first run and second run, respectively. The modified Gompertz model, correlating the ethanol production with the fermentation period, could be used to describe the ethanol production during CCCF process. The fitting results by the models showed good agreement with the experimental data. These models could be employed for the CCCF process technology development for ethanol fermentation. Copyright © 2014 Elsevier Ltd. All rights reserved.

Simulation and Optimization of Foam EOR Processes

NARCIS (Netherlands)

Namdar Zanganeh, M.

2011-01-01

Chemical enhanced oil recovery (EOR) is relatively expensive due to the high cost of the injected chemicals such as surfactants. Excessive use of these chemicals leads to processes that are not economically feasible. Therefore, optimizing the volume of these injected chemicals is of extreme

Kinetics of transformation of deformation processed gold-matrix composite

Science.gov (United States)

Wongpreedee, Kageeporn

Gold matrix Ḏeformation-processed M&barbelow;etal M&barbelow;etal C&barbelow;omposites (DMMC) have been developed that have better strength and conductivity than conventional gold alloys. However, DMMC possess metastable two-phase microstructures, and their strength and conductivity decrease after prolonged exposure to elevated temperatures. The kinetics of the transformation from the metastable two-phase microstructure to the equilibrium single-phase solid solution is of interest. This document describes a study of the elevated temperature stability of Au DMMC's and the relationship between microstructure and resistivity of three compositions: Au-7 vol %Ag, Au-14 vol %Ag, and Au-vol 7%Pt. DMMC samples were prepared by a powder metallurgy technique and mechanical processes. The smallest final diameter of these wires was 120 mum. Avrami and Arrhenius relations were used to evaluate the kinetic transformation. The extensive deformation used to produce these composites reshaped the initially equi-axed powder particles into a nanofilamentary composite. Electrical resistivity measurements were used to determine the degree of transformation from the initial metastable nano-filamentary composite to the equilibrium solid solution condition. These measurements indicated that this transformation in Au-14 at%Ag, Au-7 at %Ag Au and Au-7 at %Pt DMMC wires proceeded with activation energies of 141, 156, and 167 kJ/mol, respectively. It is thought that these empirically determined activation energies differ from those determined in single crystal, planar interface Au-Ag and Au-Pt diffusion couples due to chemical potential, surface curvature, and strain effects. The DMMC systems reach the equilibrium solid solution condition faster than single crystal, planar interface systems for two reasons: (1) far more defects (dislocations, grain boundaries, vacancies from non-conservative dislocation motion, etc.) are present in the Au-Ag and Au-Pt DMMC composites, and (2) the small

The investigation of the kinetics of hydrochemical oxidation of metal sulphides with the aim of determination of the optimal conditions for the selective extraction of molybdenum from ores

Directory of Open Access Journals (Sweden)

Lutsik V.

2005-01-01

Full Text Available The kinetics of the oxidation of molybdenyte, pyrite and sphalerite in solutions of nitric acid, hydrogen peroxide, and sodium hypochlorite was studied by the rotating disk method. The influence of the molar concentration of reagent, pH of solution, temperature, disk rotation frequency, and duration of measurements on the specific rate of hydrochemical oxidation of sulpfides was determined. The kinetic models allowing to calculate the dissolution rate of sulphides when these parameters change simultaneously were obtained. The conditions of kinetically and diffusion-controlled processes were detected. The details of mechanism of the studied processes were revealed. The nature of intermediate solid products, the reasons and the conditions of their formation as well as the character of their influence on the kinetics of dissolution processes were determined. The probable schemes of interactions corresponding to the observable kinetic dependences were offered. The conditions of the effective and selective molybdenum leaching directly from ore without its concentration were found.

Kinetics in radiation chemistry

International Nuclear Information System (INIS)

Hummel, A.

1987-01-01

In this chapter the authors first briefly review the kinetics of first- and second-order processes for continuous and pulsed irradiation, without taking the effects of nonhomogeneous formation of the species into consideration. They also discuss diffusion controlled reactions under conditions where interactions of more than two particles can be neglected, first the kinetics of the diffusion-controlled reaction of randomly generated species (homogeneous reaction) and then that of isolated pairs of reactants. The latter is often called geminate kinetics when dealing with pairs of oppositely charged species; they shall use this term for the kinetics of isolated pairs in general. In the last section they discuss briefly the kinetics of groups of more than two reactants

Development and process optimization of an enzyme membrane reactor for lactose hydrolysis. Entwicklung und verfahrenstechnische Optimierung eines Enzym-Membranreaktors fuer die Hydrolyse von Laktose

Energy Technology Data Exchange (ETDEWEB)

Czermak, P

1990-01-01

The development and process optimization up to the production stage of a vapour sterilizable hollow-fiber membrane reactor for dialysis is illustrated by the example of enzymatic hydrolysis of lactose. The expected conversion efficiency of the membrane reactor is a function of the mass transfer resistance and by the deviations from the defined hydrodynamic status. The transport/reaction behaviour of membrane reactors is therefore described by a model for real reactors which takes account of the non-linear kinetics of the native enzyme, the real mixing conditions inside the reactor, and the mass transfer through the membrane. A coupled numerical solution is used for the calculations. The reaction kinetics, the mass transfer inside the membrane, the hydrodynamics and the conversion rate are determined experimentally. The model can calculate important design data from selected data of the reaction system. Measurements of conversion rates show that the results obtained with real substances, e.g. milk, are well compatible with the model calculations. (orig.) With 85 figs., 25 tabs.

Treatment of an actual slaughterhouse wastewater by integration of biological and advanced oxidation processes: Modeling, optimization, and cost-effectiveness analysis.

Science.gov (United States)

Bustillo-Lecompte, Ciro Fernando; Mehrvar, Mehrab

2016-11-01

Biological and advanced oxidation processes are combined to treat an actual slaughterhouse wastewater (SWW) by a sequence of an anaerobic baffled reactor, an aerobic activated sludge reactor, and a UV/H2O2 photoreactor with recycle in continuous mode at laboratory scale. In the first part of this study, quadratic modeling along with response surface methodology are used for the statistical analysis and optimization of the combined process. The effects of the influent total organic carbon (TOC) concentration, the flow rate, the pH, the inlet H2O2 concentration, and their interaction on the overall treatment efficiency, CH4 yield, and H2O2 residual in the effluent of the photoreactor are investigated. The models are validated at different operating conditions using experimental data. Maximum TOC and total nitrogen (TN) removals of 91.29 and 86.05%, respectively, maximum CH4 yield of 55.72%, and minimum H2O2 residual of 1.45% in the photoreactor effluent were found at optimal operating conditions. In the second part of this study, continuous distribution kinetics is applied to establish a mathematical model for the degradation of SWW as a function of time. The agreement between model predictions and experimental values indicates that the proposed model could describe the performance of the combined anaerobic-aerobic-UV/H2O2 processes for the treatment of SWW. In the final part of the study, the optimized combined anaerobic-aerobic-UV/H2O2 processes with recycle were evaluated using a cost-effectiveness analysis to minimize the retention time, the electrical energy consumption, and the overall incurred treatment costs required for the efficient treatment of slaughterhouse wastewater effluents. Copyright © 2016 Elsevier Ltd. All rights reserved.

Transesterification of waste cooking oil: Process optimization and conversion rate evaluation

International Nuclear Information System (INIS)

Abd Rabu, R.; Janajreh, I.; Honnery, D.

2013-01-01

Highlights: ► The highest purity of the produced biodiesel determined by gas chromatography was 95%. ► Produced biodiesel samples fell within the requirements of American standard for biodiesel. ► The reaction order is 1st order with a rate constant of 0.01 min -1 in the above point min -1 . - Abstract: Biodiesel is a mono-alkyl ester of vegetable oil, animal fat, and recycled cooking oil. It is gaining importance in the quest of finding sustainable fuel as it is compatible with petrodiesel and its synthesis process is becoming more commercially deployable. It is commonly prepared by the transesterification of triglycerides or the esterification of free fatty acid with methanol by stirring and accelerated by the presence of base or acidic catalyst. In this work biodiesel was produced by transesterification of waste cooking oil (WCO) following different process settings with the objective to achieve maximum yield and purity. Due to immiscibility and reaction reversibility, high purity WCO biodiesel of 95% was produced at 12:1 alcohol to oil molar ratio at 1% w/w NaOH catalyst and under continuous mixing of 2 h at 60 °C. Chemical kinetics was determined for the optimal process and found to follow 1st order reaction rate with a rate constant ranges from 0.0035 to 0.0106 min −1 . The activation energy was also evaluated by running the experiment at three different temperatures and found to be near 25,496 J/mol. The distillation curve and properties of the resulted fuel was also assessed and were compared plausibly to ASTM biodiesel standards. Furthermore, the emitted soot from a diffusion wick flame was measured via opacity meter and clearly show the advantage of the biodiesel with a nearly an order of magnitude lower.

Research in Mobile Database Query Optimization and Processing

Directory of Open Access Journals (Sweden)

Agustinus Borgy Waluyo

2005-01-01

Full Text Available The emergence of mobile computing provides the ability to access information at any time and place. However, as mobile computing environments have inherent factors like power, storage, asymmetric communication cost, and bandwidth limitations, efficient query processing and minimum query response time are definitely of great interest. This survey groups a variety of query optimization and processing mechanisms in mobile databases into two main categories, namely: (i query processing strategy, and (ii caching management strategy. Query processing includes both pull and push operations (broadcast mechanisms. We further classify push operation into on-demand broadcast and periodic broadcast. Push operation (on-demand broadcast relates to designing techniques that enable the server to accommodate multiple requests so that the request can be processed efficiently. Push operation (periodic broadcast corresponds to data dissemination strategies. In this scheme, several techniques to improve the query performance by broadcasting data to a population of mobile users are described. A caching management strategy defines a number of methods for maintaining cached data items in clients' local storage. This strategy considers critical caching issues such as caching granularity, caching coherence strategy and caching replacement policy. Finally, this survey concludes with several open issues relating to mobile query optimization and processing strategy.

Phase formation and reaction kinetics during the processing of the chalkopyrite-solar-cell-material Cu(In,Ga)(Se,S){sub 2}; Phasenbildung und Reaktionskinetik bei der Herstellung des Chalkopyrit-Solarzellenmaterials Cu(In,Ga)(Se,S){sub 2}

Energy Technology Data Exchange (ETDEWEB)

Purwins, Michael

2010-02-05

The SEL/RTP-procedure (Stacked-Elemental-Layer/Rapid-Thermal-Process) is a method which is used to produce CuInSe{sub 2}-based absorbers/semiconductors for the application in thin film solar cells and modules, respectively. The SEL/RTP-procedure consists of two consecutive steps. During the first step a stack of several layers of the metals Cu, Ga and In as well as Se and/or S are deposited onto a substrate to form the so called precursor. By annealing the precursor, reaching temperatures of about 550 C, the stacked layers are converted into the compound semiconductor Cu(In{sub 1-x}Ga{sub x})(S{sub 1-y}Se{sub y}){sub 2} (CIGSSe). During the thermal process the central component of the later solar cell, the highly light absorbing, photoelectric active layer is formed. Thus, the second step is of great importance. This is not only because of the fact that the absorbers physical properties are established by the thermal process. Additionally the profitability of the whole manufacturing process is affected. To be able to optimize the SEL/RTP-procedure a deep and comprehensive understanding of the occurring phase formation processes and reaction kinetic mechanisms associated with them is necessary. This was the goal of the present thesis which therefore deals with the phase formation processes during the deposition of the precursor and its reaction kinetics during the following selenization and sulfurization process. Therefore the influence of different sputtering parameters on the formation of phases and the evolution of the precursor's morphology during its production by sputtering alternating stacked layers of Cu:Ga-alloys (i.e. Cu{sub 85}Ga{sub 15}, Cu{sub 75}Ga{sub 25} and CuGa{sub 2}) and/or the elements Cu and In was investigated. It was found that the deposition of Cu{sub 75/85}Ga{sub 25/15} onto In leads to the formation of CuIn{sub 2} and/or a metastable Cu(In,Ga)-alloy that is rich in copper. This deposition sequence is crucial for the precursor

Real-time economic optimization for a fermentation process using Model Predictive Control

DEFF Research Database (Denmark)

Petersen, Lars Norbert; Jørgensen, John Bagterp

2014-01-01

Fermentation is a widely used process in production of many foods, beverages, and pharmaceuticals. The main goal of the control system is to maximize profit of the fermentation process, and thus this is also the main goal of this paper. We present a simple dynamic model for a fermentation process...... and demonstrate its usefulness in economic optimization. The model is formulated as an index-1 differential algebraic equation (DAE), which guarantees conservation of mass and energy in discrete form. The optimization is based on recent advances within Economic Nonlinear Model Predictive Control (E......-NMPC), and also utilizes the index-1 DAE model. The E-NMPC uses the single-shooting method and the adjoint method for computation of the optimization gradients. The process constraints are relaxed to soft-constraints on the outputs. Finally we derive the analytical solution to the economic optimization problem...

The kinetics of steam-carbon dioxide conversion, rational ways and production catalysts of process gas

International Nuclear Information System (INIS)

Khamroev, F.B.

2016-01-01

The purpose of the present work is to study the kinetics of steam-carbon dioxide conversion, rational ways and production catalysts of process gas. The experimental equation of steam-carbon methane conversion, heat stability increasing and catalyst efficiency, decreasing of hydrodynamical resistance of catalyst layer were determined.

Equipment reliability process improvement and preventive maintenance optimization

International Nuclear Information System (INIS)

Darragi, M.; Georges, A.; Vaillancourt, R.; Komljenovic, D.; Croteau, M.

2004-01-01

The Gentilly-2 Nuclear Power Plant wants to optimize its preventive maintenance program through an Integrated Equipment Reliability Process. All equipment reliability related activities should be reviewed and optimized in a systematic approach especially for aging plants such as G2. This new approach has to be founded on best practices methods with the purpose of the rationalization of the preventive maintenance program and the performance monitoring of on-site systems, structures and components (SSC). A rational preventive maintenance strategy is based on optimized task scopes and frequencies depending on their applicability, critical effects on system safety and plant availability as well as cost-effectiveness. Preventive maintenance strategy efficiency is systematically monitored through degradation indicators. (author)

Improving processes through evolutionary optimization.

Science.gov (United States)

Clancy, Thomas R

2011-09-01

As systems evolve over time, their natural tendency is to become increasingly more complex. Studies on complex systems have generated new perspectives on management in social organizations such as hospitals. Much of this research appears as a natural extension of the cross-disciplinary field of systems theory. This is the 18th in a series of articles applying complex systems science to the traditional management concepts of planning, organizing, directing, coordinating, and controlling. In this article, I discuss methods to optimize complex healthcare processes through learning, adaptation, and evolutionary planning.

Hydrometallurgical Process and Kinetics of Leaching Manganese from Semi-Oxidized Manganese Ores with Sucrose

Directory of Open Access Journals (Sweden)

Yuhong Wang

2017-02-01

Full Text Available The extraction of manganese from a semi-oxidized manganese ore was investigated with sucrose as the reducing agent in dilute sulfuric acid medium. The kinetics of leaching manganese from the complex ore containing MnCO3 and MnO2 was also investigated. The effects of sucrose and sulfuric acid concentrations, leaching temperature and reaction time on the total Mn (TMn, MnO2 and MnCO3 leaching were investigated. Results showed that MnCO3 could more easily react with hydrogen ions than MnO2 in ores, and MnO2 decomposition could be advantageous for MnCO3 leaching. The leaching efficiencies of 91.8% for total Mn, 91.4% for MnO2 and 96.9% for MnCO3 were obtained under the following optimized conditions: 0.035 mol/L sucrose concentration, 5 mol/L sulfuric acid concentration, 60 min of reaction time and 363.2 K of leaching temperature. In addition, it was found that the leaching process of semi-oxidized manganese ore follows the shrinking core model and the leaching rate was controlled by chemical reaction and diffusion. The apparent activation energy of the total manganese, MnO2, and MnCO3 leaching were 40.83, 40.59, and 53.33 kJ·mol−1, respectively.

Kinetics of oxygen adsorption on ZnS nanoparticles synthesized by precipitation process

Directory of Open Access Journals (Sweden)

Ahmadi Reza

2016-06-01

Full Text Available ZnS nanoparticles were synthesized through a one-step precipitation process. Effect of time and temperature on the formation reaction was investigated. The synthesized samples were characterized by X-ray diffraction (XRD, ultraviolet (UV visible absorption and photoluminescence (PL spectrophotometry. Based on XRD and UV-Vis data, the particles produced at 70 °C had a mean particle size of about 5 nm. Increasing time and temperature of the synthesis reaction resulted in photoluminescence intensification. PL spectroscopy helped understanding the adsorption kinetics of oxygen on ZnS nanoparticles during the precipitation synthesis process. Fabrication of ZnS structures with appropriate oxygen adsorption capacity was suggested as a means of PL emission intensity control.

Cure Kinetics of Benzoxazine/Cycloaliphatic Epoxy Resin by Differential Scanning Calorimetry

Science.gov (United States)

Gouni, Sreeja Reddy

Understanding the curing kinetics of a thermoset resin has a significant importance in developing and optimizing curing cycles in various industrial manufacturing processes. This can assist in improving the quality of final product and minimizing the manufacturing-associated costs. One approach towards developing such an understanding is to formulate kinetic models that can be used to optimize curing time and temperature to reach a full cure state or to determine time to apply pressure in an autoclave process. Various phenomenological reaction models have been used in the literature to successfully predict the kinetic behavior of a thermoset system. The current research work was designed to investigate the cure kinetics of Bisphenol-A based Benzoxazine (BZ-a) and Cycloaliphatic epoxy resin (CER) system under isothermal and nonisothermal conditions by Differential Scanning Calorimetry (DSC). The cure characteristics of BZ-a/CER copolymer systems with 75/25 wt% and 50/50 wt% have been studied and compared to that of pure benzoxazine under nonisothermal conditions. The DSC thermograms exhibited by these BZ-a/CER copolymer systems showed a single exothermic peak, indicating that the reactions between benzoxazine-benzoxazine monomers and benzoxazine-cycloaliphatic epoxy resin were interactive and occurred simultaneously. The Kissinger method and isoconversional methods including Ozawa-Flynn-Wall and Freidman were employed to obtain the activation energy values and determine the nature of the reaction. The cure behavior and the kinetic parameters were determined by adopting a single step autocatalytic model based on Kamal and Sourour phenomenological reaction model. The model was found to suitably describe the cure kinetics of copolymer system prior to the diffusion-control reaction. Analyzing and understanding the thermoset resin system under isothermal conditions is also important since it is the most common practice in the industry. The BZ-a/CER copolymer system with

Kinetic studies on the transesterification of sunflower oil with 1-butanol catalyzed by Rhizomucor miehei lipase in a biphasic aqueous-organic system

NARCIS (Netherlands)

Ilmi, Miftahul; Hommes, Arne; Winkelman, Jozef; Hidayat, C.; Heeres, Hero

2016-01-01

The kinetics of sunflower oil transesterification with 1-butanol using a homogeneous lipase (Rhizomucor miehei) in an aqueous-organic biphasic system were studied in a stirred batch reactor set-up. An initial screening study was performed to optimize relevant process conditions (enzyme

Multi-objective optimization model of CNC machining to minimize processing time and environmental impact

Science.gov (United States)

Hamada, Aulia; Rosyidi, Cucuk Nur; Jauhari, Wakhid Ahmad

2017-11-01

Minimizing processing time in a production system can increase the efficiency of a manufacturing company. Processing time are influenced by application of modern technology and machining parameter. Application of modern technology can be apply by use of CNC machining, one of the machining process can be done with a CNC machining is turning. However, the machining parameters not only affect the processing time but also affect the environmental impact. Hence, optimization model is needed to optimize the machining parameters to minimize the processing time and environmental impact. This research developed a multi-objective optimization to minimize the processing time and environmental impact in CNC turning process which will result in optimal decision variables of cutting speed and feed rate. Environmental impact is converted from environmental burden through the use of eco-indicator 99. The model were solved by using OptQuest optimization software from Oracle Crystal Ball.

2D Numerical Modelling of the Resin Injection Pultrusion Process Including Experimental Resin Kinetics and Temperature Validation

DEFF Research Database (Denmark)

Rasmussen, Filip Salling; Sonne, Mads Rostgaard; Larsen, Martin

In the present study, a two-dimensional (2D) transient Eulerian thermo-chemical analysis of a carbon fibre epoxy thermosetting Resin Injection Pultrusion (RIP) process is carried out. The numerical model is implemented using the well known unconditionally stable Alternating Direction Implicit (ADI......) scheme. The total heat of reaction and the cure kinetics of the epoxy thermosetting are determined using Differential Scanning Calorimetry (DSC). A very good agreement is observed between the fitted cure kinetic model and the experimental measurements. The numerical steady state temperature predictions...

Optimization of Multiple Responses of Ultrasonic Machining (USM Process: A Comparative Study

Directory of Open Access Journals (Sweden)

Rina Chakravorty

2013-04-01

Full Text Available Ultrasonic machining (USM process has multiple performance measures, e.g. material removal rate (MRR, tool wear rate (TWR, surface roughness (SR etc., which are affected by several process parameters. The researchers commonly attempted to optimize USM process with respect to individual responses, separately. In the recent past, several systematic procedures for dealing with the multi-response optimization problems have been proposed in the literature. Although most of these methods use complex mathematics or statistics, there are some simple methods, which can be comprehended and implemented by the engineers to optimize the multiple responses of USM processes. However, the relative optimization performance of these approaches is unknown because the effectiveness of different methods has been demonstrated using different sets of process data. In this paper, the computational requirements for four simple methods are presented, and two sets of past experimental data on USM processes are analysed using these methods. The relative performances of these methods are then compared. The results show that weighted signal-to-noise (WSN ratio method and utility theory (UT method usually give better overall optimisation performance for the USM process than the other approaches.

Optimizing The DSSC Fabrication Process Using Lean Six Sigma

Science.gov (United States)

Fauss, Brian

Alternative energy technologies must become more cost effective to achieve grid parity with fossil fuels. Dye sensitized solar cells (DSSCs) are an innovative third generation photovoltaic technology, which is demonstrating tremendous potential to become a revolutionary technology due to recent breakthroughs in cost of fabrication. The study here focused on quality improvement measures undertaken to improve fabrication of DSSCs and enhance process efficiency and effectiveness. Several quality improvement methods were implemented to optimize the seven step individual DSSC fabrication processes. Lean Manufacturing's 5S method successfully increased efficiency in all of the processes. Six Sigma's DMAIC methodology was used to identify and eliminate each of the root causes of defects in the critical titanium dioxide deposition process. These optimizations resulted with the following significant improvements in the production process: 1. fabrication time of the DSSCs was reduced by 54 %; 2. fabrication procedures were improved to the extent that all critical defects in the process were eliminated; 3. the quantity of functioning DSSCs fabricated was increased from 17 % to 90 %.

Optimization Of A Mass Spectrometry Process

International Nuclear Information System (INIS)

Lopes, Jose; Alegria, F. Correa; Redondo, Luis; Barradas, N. P.; Alves, E.; Rocha, Jorge

2011-01-01

In this paper we present and discuss a system developed in order to optimize the mass spectrometry process of an ion implanter. The system uses a PC to control and display the mass spectrum. The operator interacts with the I/O board, that interfaces with the computer and the ion implanter by a LabVIEW code. Experimental results are shown and the capabilities of the system are discussed.

Optimization of turning process through the analytic flank wear modelling

Science.gov (United States)

Del Prete, A.; Franchi, R.; De Lorenzis, D.

2018-05-01

In the present work, the approach used for the optimization of the process capabilities for Oil&Gas components machining will be described. These components are machined by turning of stainless steel castings workpieces. For this purpose, a proper Design Of Experiments (DOE) plan has been designed and executed: as output of the experimentation, data about tool wear have been collected. The DOE has been designed starting from the cutting speed and feed values recommended by the tools manufacturer; the depth of cut parameter has been maintained as a constant. Wear data has been obtained by means the observation of the tool flank wear under an optical microscope: the data acquisition has been carried out at regular intervals of working times. Through a statistical data and regression analysis, analytical models of the flank wear and the tool life have been obtained. The optimization approach used is a multi-objective optimization, which minimizes the production time and the number of cutting tools used, under the constraint on a defined flank wear level. The technique used to solve the optimization problem is a Multi Objective Particle Swarm Optimization (MOPS). The optimization results, validated by the execution of a further experimental campaign, highlighted the reliability of the work and confirmed the usability of the optimized process parameters and the potential benefit for the company.

Determining Li+-Coupled Redox Targeting Reaction Kinetics of Battery Materials with Scanning Electrochemical Microscopy.

Science.gov (United States)

Yan, Ruiting; Ghilane, Jalal; Phuah, Kia Chai; Pham Truong, Thuan Nguyen; Adams, Stefan; Randriamahazaka, Hyacinthe; Wang, Qing

2018-02-01

The redox targeting reaction of Li + -storage materials with redox mediators is the key process in redox flow lithium batteries, a promising technology for next-generation large-scale energy storage. The kinetics of the Li + -coupled heterogeneous charge transfer between the energy storage material and redox mediator dictates the performance of the device, while as a new type of charge transfer process it has been rarely studied. Here, scanning electrochemical microscopy (SECM) was employed for the first time to determine the interfacial charge transfer kinetics of LiFePO 4 /FePO 4 upon delithiation and lithiation by a pair of redox shuttle molecules FcBr 2 + and Fc. The effective rate constant k eff was determined to be around 3.70-6.57 × 10 -3 cm/s for the two-way pseudo-first-order reactions, which feature a linear dependence on the composition of LiFePO 4 , validating the kinetic process of interfacial charge transfer rather than bulk solid diffusion. In addition, in conjunction with chronoamperometry measurement, the SECM study disproves the conventional "shrinking-core" model for the delithiation of LiFePO 4 and presents an intriguing way of probing the phase boundary propagations induced by interfacial redox reactions. This study demonstrates a reliable method for the kinetics of redox targeting reactions, and the results provide useful guidance for the optimization of redox targeting systems for large-scale energy storage.

Importance of design optimization of gamma processing plants

International Nuclear Information System (INIS)

George, Jain Reji

2014-01-01

Radiation processing of food commodities using ionizing radiations is well established world wide. In India too, novel designs are coming up for food irradiation as well as for multiproduct irradiation. It has been observed that though the designs of the product movement systems are excelling, the actual purpose for which the designs are made are failing in some. In such situations it is difficult to achieve an effective dose delivery by controlling the process parameters or even by modifying the source activity distribution without compromising some other aspects like throughput. It is very essential to arrive at an optimization in all components such as radiation source geometry, source product geometry and protective barriers of an irradiator system. Optimization of the various parameters can be done by modeling and analysis of the design

Intelligent Optimization of a Mixed Culture Cultivation Process

Directory of Open Access Journals (Sweden)

Petia Koprinkova-Hristova

2015-04-01

Full Text Available In the present paper a neural network approach called "Adaptive Critic Design" (ACD was applied to optimal tuning of set point controllers of the three main substrates (sugar, nitrogen source and dissolved oxygen for PHB production process. For approximation of the critic and the controllers a special kind of recurrent neural networks called Echo state networks (ESN were used. Their structure allows fast training that will be of crucial importance in on-line applications. The critic network is trained to minimize the temporal difference error using Recursive Least Squares method. Two approaches - gradient and heuristic - were exploited for training of the controllers. The comparison is made with respect to achieved improvement of the utility function subject of optimization as well as with known expert strategy for control the PHB production process.

Enzymatic production of sterculic acid from the novel Phoenix tree seed oil: Optimization and kinetic study

International Nuclear Information System (INIS)

Hou, X.; Sun, S.

2017-01-01

Phoenix tree (Firmiana simplex) seed oil is a novel oil which is rich in sterculic acid. Sterculic acid, a cyclopropene fatty acid, can be used as the inhibitor of the stearoyl-CoA desaturase system and mammary carcinomas growth. In this work, Lipozyme TLIM-catalyzed hydrolysis of the novel Phoenix tree seed oil was used to prepare sterculic acid. High temperature GC-FID and the degree of hydrolysis (DH) were used to monitor the reaction progress. Effects of reaction variables on the hydrolysis were evaluated and optimized using response surface methodology. Results showed that sterculic acid can be successfully prepared from the novel seed oil, and the effect of reaction variables on the hydrolysis decreased in the order of reaction time > enzyme load > temperature. A high yield of fatty acids (DH, 98.2±0.8%) can be obtained under optimized conditions (45 ºC, mass ratio of water to oil 10:1, enzyme load 10%, and 18 h). The Arrhenius equation for the hydrolysis was LnV0 = 9.12 − 4721/T. The activation energy was 39.25KJ/mol. The kinetic values for Vmax, K/m were 0.232mol/(L∙min) and 0.084 mol/L, respectively. [es

Influence of film structure on the dewetting kinetics of thin polymer films in the solvent annealing process.

Science.gov (United States)

Zhang, Huanhuan; Xu, Lin; Lai, Yuqing; Shi, Tongfei

2016-06-28

On a non-wetting solid substrate, the solvent annealing process of a thin polymer film includes the swelling process and the dewetting process. Owing to difficulties in the in situ analysis of the two processes simultaneously, a quantitative study on the solvent annealing process of thin polymer films on the non-wetting solid substrate is extremely rare. In this paper, we design an experimental method by combining spectroscopic ellipsometry with optical microscopy to achieve the simultaneous in situ study. Using this method, we investigate the influence of the structure of swollen film on its dewetting kinetics during the solvent annealing process. The results show that for a thin PS film with low Mw (Mw = 4.1 kg mol(-1)), acetone molecules can form an ultrathin enriched layer between the PS film and the solid substrate during the swelling process. The presence of the acetone enriched layer accounts for the exponential kinetic behavior in the case of a thin PS film with low Mw. However, the acetone enriched layer is not observed in the case of a thin PS film with high Mw (Mw = 400 kg mol(-1)) and the slippage effect of polymer chains is valid during the dewetting process.

Optimal Information Processing in Biochemical Networks

Science.gov (United States)

Wiggins, Chris

2012-02-01

A variety of experimental results over the past decades provide examples of near-optimal information processing in biological networks, including in biochemical and transcriptional regulatory networks. Computing information-theoretic quantities requires first choosing or computing the joint probability distribution describing multiple nodes in such a network --- for example, representing the probability distribution of finding an integer copy number of each of two interacting reactants or gene products while respecting the `intrinsic' small copy number noise constraining information transmission at the scale of the cell. I'll given an overview of some recent analytic and numerical work facilitating calculation of such joint distributions and the associated information, which in turn makes possible numerical optimization of information flow in models of noisy regulatory and biochemical networks. Illustrating cases include quantification of form-function relations, ideal design of regulatory cascades, and response to oscillatory driving.

High-pressure processing of apple juice: kinetics of pectin methyl esterase inactivation.

Science.gov (United States)

Riahi, Esmaeil; Ramaswamy, Hosahalli S

2003-01-01

High-pressure (HP) inactivation kinetics of pectin methyl esterase (PME) in apple juice were evaluated. Commercial PME was dispensed in clarified apple juice, sealed in dual peel sterilizable plastic bags, and subjected to different high-pressure processing conditions (200-400 MPa, 0-180 min). Residual enzyme activity was determined by a titration method estimating the rate of free carboxyl group released by the enzyme acting on pectin substrate at pH 7.5 (30 degrees C). The effects of pressure level and pressure holding time on enzyme inactivation were significant (p < 0.05). PME from the microbial source was found to be more resistant (p < 0.05) to pressure inactivation than PME from the orange peel. Almost a full decimal reduction in the activity of commercial PME was achieved by HP treatment at 400 MPa for 25 min. Inactivation kinetics were evaluated on the basis of a dual effect model involving a pressure pulse effect and a first-order rate model, and the pressure sensitivity of rate constants was modeled by using the z-value concept.

Computational method and system for modeling, analyzing, and optimizing DNA amplification and synthesis

Science.gov (United States)

Vandersall, Jennifer A.; Gardner, Shea N.; Clague, David S.

2010-05-04

A computational method and computer-based system of modeling DNA synthesis for the design and interpretation of PCR amplification, parallel DNA synthesis, and microarray chip analysis. The method and system include modules that address the bioinformatics, kinetics, and thermodynamics of DNA amplification and synthesis. Specifically, the steps of DNA selection, as well as the kinetics and thermodynamics of DNA hybridization and extensions, are addressed, which enable the optimization of the processing and the prediction of the products as a function of DNA sequence, mixing protocol, time, temperature and concentration of species.

Method of optimization of the natural gas refining process

Energy Technology Data Exchange (ETDEWEB)

Sadykh-Zade, E.S.; Bagirov, A.A.; Mardakhayev, I.M.; Razamat, M.S.; Tagiyev, V.G.

1980-01-01

The SATUM (automatic control system of technical operations) system introduced at the Shatlyk field should assure good quality of gas refining. In order to optimize the natural gas refining processes and experimental-analytical method is used in compiling the mathematical descriptions. The program, compiled in Fortran language, in addition to parameters of optimal conditions gives information on the yield of concentrate and water, concentration and consumption of DEG, composition and characteristics of the gas and condensate. The algorithm for calculating optimum engineering conditions of gas refining is proposed to be used in ''advice'' mode, and also for monitoring progress of the gas refining process.

Lumping procedure for a kinetic model of catalytic naphtha reforming

Directory of Open Access Journals (Sweden)

H. M. Arani

2009-12-01

Full Text Available A lumping procedure is developed for obtaining kinetic and thermodynamic parameters of catalytic naphtha reforming. All kinetic and deactivation parameters are estimated from industrial data and thermodynamic parameters are calculated from derived mathematical expressions. The proposed model contains 17 lumps that include the C6 to C8+ hydrocarbon range and 15 reaction pathways. Hougen-Watson Langmuir-Hinshelwood type reaction rate expressions are used for kinetic simulation of catalytic reactions. The kinetic parameters are benchmarked with several sets of plant data and estimated by the SQP optimization method. After calculation of deactivation and kinetic parameters, plant data are compared with model predictions and only minor deviations between experimental and calculated data are generally observed.

Modelling on optimal portfolio with exchange rate based on discontinuous stochastic process

Science.gov (United States)

Yan, Wei; Chang, Yuwen

2016-12-01

Considering the stochastic exchange rate, this paper is concerned with the dynamic portfolio selection in financial market. The optimal investment problem is formulated as a continuous-time mathematical model under mean-variance criterion. These processes follow jump-diffusion processes (Weiner process and Poisson process). Then the corresponding Hamilton-Jacobi-Bellman(HJB) equation of the problem is presented and its efferent frontier is obtained. Moreover, the optimal strategy is also derived under safety-first criterion.

Fast engineering optimization: A novel highly effective control parameterization approach for industrial dynamic processes.

Science.gov (United States)

Liu, Ping; Li, Guodong; Liu, Xinggao

2015-09-01

Control vector parameterization (CVP) is an important approach of the engineering optimization for the industrial dynamic processes. However, its major defect, the low optimization efficiency caused by calculating the relevant differential equations in the generated nonlinear programming (NLP) problem repeatedly, limits its wide application in the engineering optimization for the industrial dynamic processes. A novel highly effective control parameterization approach, fast-CVP, is first proposed to improve the optimization efficiency for industrial dynamic processes, where the costate gradient formulae is employed and a fast approximate scheme is presented to solve the differential equations in dynamic process simulation. Three well-known engineering optimization benchmark problems of the industrial dynamic processes are demonstrated as illustration. The research results show that the proposed fast approach achieves a fine performance that at least 90% of the computation time can be saved in contrast to the traditional CVP method, which reveals the effectiveness of the proposed fast engineering optimization approach for the industrial dynamic processes. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

An optimization methodology for identifying robust process integration investments under uncertainty

Energy Technology Data Exchange (ETDEWEB)

Svensson, Elin; Berntsson, Thore [Department of Energy and Environment, Division of Heat and Power Technology, Chalmers University of Technology, SE-412 96 Goeteborg (Sweden); Stroemberg, Ann-Brith [Fraunhofer-Chalmers Research Centre for Industrial Mathematics, Chalmers Science Park, SE-412 88 Gothenburg (Sweden); Patriksson, Michael [Department of Mathematical Sciences, Chalmers University of Technology and Department of Mathematical Sciences, University of Gothenburg, SE-412 96 Goeteborg (Sweden)

2009-02-15

Uncertainties in future energy prices and policies strongly affect decisions on investments in process integration measures in industry. In this paper, we present a five-step methodology for the identification of robust investment alternatives incorporating explicitly such uncertainties in the optimization model. Methods for optimization under uncertainty (or, stochastic programming) are thus combined with a deep understanding of process integration and process technology in order to achieve a framework for decision-making concerning the investment planning of process integration measures under uncertainty. The proposed methodology enables the optimization of investments in energy efficiency with respect to their net present value or an environmental objective. In particular, as a result of the optimization approach, complex investment alternatives, allowing for combinations of energy efficiency measures, can be analyzed. Uncertainties as well as time-dependent parameters, such as energy prices and policies, are modelled using a scenario-based approach, enabling the identification of robust investment solutions. The methodology is primarily an aid for decision-makers in industry, but it will also provide insight for policy-makers into how uncertainties regarding future price levels and policy instruments affect the decisions on investments in energy efficiency measures. (author)

An optimization methodology for identifying robust process integration investments under uncertainty

International Nuclear Information System (INIS)

Svensson, Elin; Berntsson, Thore; Stroemberg, Ann-Brith; Patriksson, Michael

2009-01-01

Uncertainties in future energy prices and policies strongly affect decisions on investments in process integration measures in industry. In this paper, we present a five-step methodology for the identification of robust investment alternatives incorporating explicitly such uncertainties in the optimization model. Methods for optimization under uncertainty (or, stochastic programming) are thus combined with a deep understanding of process integration and process technology in order to achieve a framework for decision-making concerning the investment planning of process integration measures under uncertainty. The proposed methodology enables the optimization of investments in energy efficiency with respect to their net present value or an environmental objective. In particular, as a result of the optimization approach, complex investment alternatives, allowing for combinations of energy efficiency measures, can be analyzed. Uncertainties as well as time-dependent parameters, such as energy prices and policies, are modelled using a scenario-based approach, enabling the identification of robust investment solutions. The methodology is primarily an aid for decision-makers in industry, but it will also provide insight for policy-makers into how uncertainties regarding future price levels and policy instruments affect the decisions on investments in energy efficiency measures. (author)

Synthesis and Optimization of a Methanol Process

DEFF Research Database (Denmark)

Grue, J.; Bendtsen, Jan Dimon

2003-01-01

of reaction. The resulting model consists of a system of DAEs. The model is compared with rigorous simulation results from Pro/II and good agreement is found. The process is optimized followed by heat integration and large differences in the operating economy of the plant can be observed as a result hereof...

Optimization of TRPO process parameters for americium extraction from high level waste

International Nuclear Information System (INIS)

Chen Jing; Wang Jianchen; Song Chongli

2001-01-01

The numerical calculations for Am multistage fractional extraction by trialkyl phosphine oxide (TRPO) were verified by a hot test. 1750L/t-U high level waste (HLW) was used as the feed to the TRPO process. The analysis used the simple objective function to minimize the total waste content in the TRPO process streams. Some process parameters were optimized after other parameters were selected. The optimal process parameters for Am extraction by TRPO are: 10 stages for extraction and 2 stages for scrubbing; a flow rate ratio of 0.931 for extraction and 4.42 for scrubbing; nitric acid concentration of 1.35 mol/L for the feed and 0.5 mol/L for the scrubbing solution. Finally, the nitric acid and Am concentration profiles in the optimal TRPO extraction process are given

Off-Policy Reinforcement Learning: Optimal Operational Control for Two-Time-Scale Industrial Processes.

Science.gov (United States)

Li, Jinna; Kiumarsi, Bahare; Chai, Tianyou; Lewis, Frank L; Fan, Jialu

2017-12-01

Industrial flow lines are composed of unit processes operating on a fast time scale and performance measurements known as operational indices measured at a slower time scale. This paper presents a model-free optimal solution to a class of two time-scale industrial processes using off-policy reinforcement learning (RL). First, the lower-layer unit process control loop with a fast sampling period and the upper-layer operational index dynamics at a slow time scale are modeled. Second, a general optimal operational control problem is formulated to optimally prescribe the set-points for the unit industrial process. Then, a zero-sum game off-policy RL algorithm is developed to find the optimal set-points by using data measured in real-time. Finally, a simulation experiment is employed for an industrial flotation process to show the effectiveness of the proposed method.

Spectrophotometric Analysis of the Kinetic of Pd(II Chloride Complex Ions Sorption Process from Diluted Aqua Solutions Using Commercially Available Activated Carbon

Directory of Open Access Journals (Sweden)

Wojnicki M.

2017-12-01

Full Text Available In this paper, results of adsorption kinetic studies of Pd(II chloride complex ions on activated carbon Organosrob 10 CO are presented. Spectorphotometrical method was applied to investigate the process. Kinetic model was proposed, and fundamental thermodynamic parameters were determined. Proposed kinetic model describes well observed phenomenon in the studied range of concentration of Pd(II chloride complex ions as well, as concentration of activated carbon.

Graphical analysis of processes with multiple activation energies

International Nuclear Information System (INIS)

Lachter, J.; Bragg, R.H.; Close, E.

1986-01-01

The activation energies characterizing a kinetic process are derived from the slopes of the Arrhenius diagrams obtained by plotting rate constants versus reciprocal temperature. Those rate constants correspond to the shifts along the time axis needed to superpose the successive isotherms. A general method based on Chebyshev interpolation is proposed for the optimization of the superposition of the experimental data points. This method is applied to determine the activation energies of the graphitization kinetics of the interlayer spacings of pitch coke and pyrocarbon samples

New insights into pre-lithiation kinetics of graphite anodes via nuclear magnetic resonance spectroscopy

Science.gov (United States)

Holtstiege, Florian; Schmuch, Richard; Winter, Martin; Brunklaus, Gunther; Placke, Tobias

2018-02-01

Pre-lithiation of anode materials can be an effective method to compensate active lithium loss which mainly occurs in the first few cycles of a lithium ion battery (LIB), due to electrolyte decomposition and solid electrolyte interphase (SEI) formation at the surface of the anode. There are many different pre-lithiation methods, whereas pre-lithiation using metallic lithium constitutes the most convenient and widely utilized lab procedure in literature. In this work, for the first time, solid state nuclear magnetic resonance spectroscopy (NMR) is applied to monitor the reaction kinetics of the pre-lithiation process of graphite with lithium. Based on static 7Li NMR, we can directly observe both the dissolution of lithium metal and parallel formation of LiCx species in the obtained NMR spectra with time. It is also shown that the degree of pre-lithiation as well as distribution of lithium metal on the electrode surface have a strong impact on the reaction kinetics of the pre-lithiation process and on the remaining amount of lithium metal. Overall, our findings are highly important for further optimization of pre-lithiation methods for LIB anode materials, both in terms of optimized pre-lithiation time and appropriate amounts of lithium metal.

[Optimization of Energy Saving Measures with ABR-MBR Integrated Process].

Science.gov (United States)

Wu, Peng; Lu, Shuang-jun; Xu, Yue-zhong; Liu, Jie; Shen, Yao-liang

2015-08-01

High energy consumption and membrane fouling are important factors that limit the wide use of membrane bioreactor (MBR). In order to reduce energy consumption and delay the process of membrane fouling, the process of anaerobic baffled reactor (ABR)-MBR was used to treat domestic sewage. The structure of the process and conditions of nitrogen and phosphorus removal were optimized in this study. The results showed that energy consumption was reduced by 43% through optimizing the structure of ABR-MBR process. Meanwhile, the process achieved a high level of COD, NH: -N, TN and TP removal, with the average removal efficiencies of 91%, 85%, 76% and 86%, respectively. In addition, the added particulate media could effectively delay membrane fouling, while the formation process of membrane fouling was changed. The extracted amount of carbohydrates increased while the amount of proteins decreased. Finally, the potential was enhanced for the practical application of MBR.

Butia Yatay coconut oil: Process development for biodiesel production and kinetics of esterification with ethanol

International Nuclear Information System (INIS)

Zanuttini, M.S.; Pisarello, M.L.; Querini, C.A.

2014-01-01

Highlights: • Coconut oil contains high levels of phosphorous and free fatty acids. • Especial degumming process is needed in order to decrease the phosphorous content. • Kinetic constant for esterification reaction decreases as a function of time. • Two-step esterification is more efficient to reduce acidity than one-step. • Approximately 15% of esters are formed by acid-catalyzed transesterification. - Abstract: The aim of this work is to study biodiesel production using Butia Yatay coconut oil. This oil has acid values between 109 and 140 mg KOH/g, and phosphorus content in the order of 600 ppm. A three-step degumming pre-treatment of the raw material was adjusted in order to decrease the phosphorus content to approximately 200 ppm. Afterwards, a two-step esterification followed by transesterification was required in order to obtain a high-quality product. The esterification kinetics was studied including the simultaneous reactions that take place during the esterification of free fatty acids: autocatalysis, triacylglycerides hydrolysis, transesterification, and the reaction of sulphuric acid with the alcohol, being the most important ones. The kinetic parameters for the esterification and autocatalysis reactions were also obtained, being different compared to sunflower oil, due to the presence of short chain fatty acids. The kinetic constant for the esterification reaction rapidly decreases as a function of time, due to the consumption of the catalyst by the alkyl-sulphate formation reaction

Study on fermentation conditions of palm juice vinegar by response surface methodology and development of a kinetic model

Directory of Open Access Journals (Sweden)

S. Ghosh

2012-09-01

Full Text Available Natural vinegar is one of the fermented products which has some potentiality with respect to a nutraceutical standpoint. The present study is an optimization of the fermentation conditions for palm juice vinegar production from palm juice (Borassus flabellifer wine, this biochemical process being aided by Acetobacter aceti (NCIM 2251. The physical parameters of the fermentation conditions such as temperature, pH, and time were investigated by Response Surface Methodology (RSM with 2³ factorial central composite designs (CCD. The optimum pH, temperature and time were 5.5, 30 °C and 72 hrs for the highest yield of acetic acid (68.12 g / L. The quadratic model equation had a R² value of 0.992. RSM played an important role in elucidating the basic mechanisms in a complex situation, thus providing better process control by maximizing acetic acid production with the respective physical parameters. At the optimized conditions of temperature, pH and time and with the help of mathematical kinetic equations, the Monod specific growth rate ( µ max= 0.021 h-1, maximum Logistic specific growth rate ( µ 'max = 0.027 h-1 and various other kinetic parameters were calculated, which helped in validation of the experimental data. Therefore, the established kinetic models may be applied for the production of natural vinegar by fermentation of low cost palm juice.

Comparing kinetic curves in liquid chromatography

Science.gov (United States)

Kurganov, A. A.; Kanat'eva, A. Yu.; Yakubenko, E. E.; Popova, T. P.; Shiryaeva, V. E.

2017-01-01

Five equations for kinetic curves which connect the number of theoretical plates N and time of analysis t 0 for five different versions of optimization, depending on the parameters being varied (e.g., mobile phase flow rate, pressure drop, sorbent grain size), are obtained by means of mathematical modeling. It is found that a method based on the optimization of a sorbent grain size at fixed pressure is most suitable for the optimization of rapid separations. It is noted that the advantages of the method are limited by an area of relatively low efficiency, and the advantage of optimization is transferred to a method based on the optimization of both the sorbent grain size and the drop in pressure across a column in the area of high efficiency.

Optimization and modeling for the synthesis of sterol esters from deodorizer distillate by lipase-catalyzed esterification.

Science.gov (United States)

Zhang, Xinyu; Yu, Jiang; Zeng, Aiwu

2017-03-01

In this paper, cotton seed oil deodorizer distillate (CSODD), was recovered to obtain fatty acid sterol ester (FASE), which is one of the biological activated substances added as human therapeutic to lower cholesterol. Esterification reactions were carried out using Candida rugosa lipase as a catalyst, and the conversion of phytosterol was optimized using response surface methodology. The highest conversion (90.8 ± 0.4%) was reached at 0.84 wt% enzyme load, 1:25 solvent/CSODD mass ratio, and 44.2 °C after 12 H reaction. A kinetic model based on the reaction rate equation was developed to describe the reaction process. The activation energy of the reaction was calculated to be 56.9 kJ/mol and the derived kinetic parameters provided indispensable basics for further study. The optimization and kinetic research of synthesizing FASE from deodorizer distillate provided necessary information for the industrial applications in the near future. Experimental results showed that the proposed process is a promising alternative to recycle sterol esters from vegetable oil deodorizer distillates in a mild, efficient, and environmental friendly method. © 2016 International Union of Biochemistry and Molecular Biology, Inc.

Simplified modeling of simultaneous reaction kinetics of carbon oxidation and nitrification in biofilm processes

Energy Technology Data Exchange (ETDEWEB)

Tsuneda, S.; Auresenia, J.; Hibiya, K.; Hirata, A. [Waseda University, Department of Chemical Engineering, 3-4-1 Ohkubo, Shinjuku-ku, Tokyo 169-8555 (Japan)

2004-06-01

Batch experiments with varying initial substrate concentrations and biomass volumes were performed in a three-phase fluidized bed biofilm reactor treating simulated domestic wastewater to study the simultaneous carbon oxidation and nitrification in the biofilm process. A simplified mass balance equation for the biofilm was proposed and five different kinetic rate equations were used to match the actual data. The kinetic parameters were obtained by nonlinear regression analysis on a set of two differential equations representing the simultaneous carbon oxidation and nitrification. The competitive inhibition model incorporating the effects of total organic carbon (TOC) concentrations on nitrification rates was the best-suited model based on the average r{sup 2}. In this model, oxygen concentration and its affinity constants were not included. Instead, it was assumed that the rate of carbon oxidation is independent of the NH{sub 4}{sup +}-N, while nitrification is affected by TOC. The number of parameters was successfully minimized without reducing its ability to accurately predict the bulk concentration time course, which would reduce computational complexity and possibly enhance the availability for an actual wastewater treatment process. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

Optimization process for thin-walled High Performance Concrete sandwich panels

DEFF Research Database (Denmark)

Hodicky, Kamil; Hulin, Thomas; Schmidt, Jacob Wittrup

2013-01-01

A Nearly zero energy buildings are to become a requirement as part of the European energy pol-icy. There are many ways of designing nearly zero energy buildings, but there is a lack of knowledge on opti-mization processes in the sense of structurally and thermally efficient design with an optimal...

Modeling and optimization of CO2 capture processes by chemical absorption

International Nuclear Information System (INIS)

Neveux, Thibaut

2013-01-01

CO 2 capture processes by chemical absorption lead to a large energy penalty on efficiency of coal-fired power plants, establishing one of the main bottleneck to its industrial deployment. The objective of this thesis is the development and validation of a global methodology, allowing the precise evaluation of the potential of a given amine capture process. Characteristic phenomena of chemical absorption have been thoroughly studied and represented with state-of-the-art models. The e-UNIQUAC model has been used to describe vapor-liquid and chemical equilibria of electrolyte solutions and the model parameters have been identified for four solvents. A rate-based formulation has been adopted for the representation of chemically enhanced heat and mass transfer in columns. The absorption and stripping models have been successfully validated against experimental data from an industrial and a laboratory pilot plants. The influence of the numerous phenomena has been investigated in order to highlight the most limiting ones. A methodology has been proposed to evaluate the total energy penalty resulting from the implementation of a capture process on an advanced supercritical coal-fired power plant, including thermal and electric consumptions. Then, the simulation and process evaluation environments have been coupled with a non-linear optimization algorithm in order to find optimal operating and design parameters with respect to energetic and economic performances. This methodology has been applied to optimize five process flow schemes operating with an monoethanolamine aqueous solution at 30% by weight: the conventional flow scheme and four process modifications. The performance comparison showed that process modifications using a heat pump effect give the best gains. The use of technical-economic analysis as an evaluation criterion of a process performance, coupled with a optimization algorithm, has proved its capability to find values for the numerous operating and design

Process optimization in petrochemical industries; Otimizacao de processo nas industrias petroquimicas

Energy Technology Data Exchange (ETDEWEB)

Castro Filho, Paulo Farias; Chachamovitz, Joao Carlos

1993-12-31

The most recent and efficient technologies of simulation, modeling and process optimization are presented. Some practical problems are analyzed together with a methodology for applying the optimization technologies. (author) 2 refs., 7 figs., 2 tabs.

Bioethanol from lignocellulose - pretreatment, enzyme immobilization and hydrolysis kinetics

DEFF Research Database (Denmark)

Tsai, Chien Tai

, the cost of enzyme is still the bottle neck, re-using the enzyme is apossible way to reduce the input of enzyme in the process. In the point view of engineering, the prediction of enzymatic hydrolysis kinetics under different substrate loading, enzyme combination is usful for process design. Therefore...... lignocellulose is the required high cellulase enzyme dosages that increase the processing costs. One method to decrease the enzyme dosage is to re-use BG, which hydrolyze the soluble substrate cellobiose. Based on the hypothesis that immobilized BG can be re-used, how many times the enzyme could be recycled...... liquid and pretreatment time can be reduced, the influence of substrate concentration, pretreatment time and temperature were investigated and optimized. Pretreatment of barley straw by [EMIM]Ac, correlative models were constructed using 3 different pretreatment parameters (temperature, time...

A new kinetic biphasic approach applied to biodiesel process intensification

Energy Technology Data Exchange (ETDEWEB)

Russo, V.; Tesser, R.; Di Serio, M.; Santacesaria, E. [Naples Univ. (Italy). Dept. of Chemistry

2012-07-01

Many different papers have been published on the kinetics of the transesterification of vegetable oil with methanol, in the presence of alkaline catalysts to produce biodiesel. All the proposed approaches are based on the assumption of a pseudo-monophasic system. The consequence of these approaches is that some experimental aspects cannot be described. For the reaction performed in batch conditions, for example, the monophasic approach is not able to reproduce the different plateau obtained by using different amount of catalyst or the induction time observed at low stirring rates. Moreover, it has been observed by operating in continuous reactors that micromixing has a dramatic effect on the reaction rate. At this purpose, we have recently observed that is possible to obtain a complete conversion to biodiesel in less than 10 seconds of reaction time. This observation is confirmed also by other authors using different types of reactors like: static mixers, micro-reactors, oscillatory flow reactors, cavitational reactors, microwave reactors or centrifugal contactors. In this work we will show that a recently proposed biphasic kinetic approach is able to describe all the aspects before mentioned that cannot be described by the monophasic kinetic model. In particular, we will show that the biphasic kinetic model can describe both the induction time observed in the batch reactors, at low stirring rate, and the very high conversions obtainable in a micro-channel reactor. The adopted biphasic kinetic model is based on a reliable reaction mechanism that will be validated by the experimental evidences reported in this work. (orig.)

Optimal energy control of a crushing process based on vertical shaft impactor

International Nuclear Information System (INIS)

Numbi, B.P.; Xia, X.

2016-01-01

Highlights: • Energy optimal control strategy of a VSI crushing process is modeled. • Potential of a daily energy cost saving of about 49.7% is shown. • Potential of a daily energy saving of about 15.3% is shown. • Most of energy cost saving is due to the optimal load shifting under time-of-use tariff. • Energy saving is due to the operation of the process at the boundary of the admissible region. - Abstract: This paper presents an optimal control model to improve the operation energy efficiency of a vertical shaft impact (VSI) crushing process. The optimal control model takes the energy cost as the performance index to be minimized by accounting for the time-of-use tariff and process constraints such as storage capacity of the VSI crusher hopper, capacity of the main storage system, flow rate limits, cascade ratio setting, production requirement and product quality requirement. The control variables in the developed model are the belt conveyor feed rate, the material feed rate into the VSI crusher rotor, the bi-flow or cascade feed rate and the rotor tip speed of the crusher. These four control variables are optimally coordinated in order to improve the operation energy efficiency of the VSI crushing process. Simulation results based on a crushing process in a coal-fired power plant demonstrate a potential of a daily energy cost saving of about 49.7% and energy saving of about 15.3% in a high-demand season weekday.

Optimization of the mineralization of a mixture of phenolic pollutants under a ferrioxalate-induced solar photo-Fenton process.

Science.gov (United States)

Monteagudo, J M; Durán, A; Aguirre, M; San Martín, I

2011-01-15

The mineralization of solutions containing a mixture of three phenolic compounds, gallic, p-coumaric and protocatechuic acids, in a ferrioxalate-induced solar photo-Fenton process was investigated. The reactions were carried out in a pilot plant consisting of a compound parabolic collector (CPC) solar reactor. An optimization study was performed combining a multivariate experimental design and neuronal networks that included the following variables: pH, temperature, solar power, air flow and initial concentrations of H(2)O(2), Fe(II) and oxalic acid. Under optimal conditions, total elimination of the original compounds and 94% TOC removal of the mixture were achieved in 5 and 194 min, respectively. pH and initial concentrations of H(2)O(2) and Fe(II) were the most significant factors affecting the mixture mineralization. The molar correlation between consumed hydrogen peroxide and removed TOC was always between 1 and 3. A detailed analysis of the reaction was presented. The values of the pseudo-first-order mineralization kinetic rate constant, k(TOC), increased as initial Fe(II) and H(2)O(2) concentrations and temperature increased. The optimum pH value also slightly increased with greater Fe(II) and hydrogen peroxide concentrations but decreased when temperature increased. OH and O(2)(-) radicals were the main oxidative intermediate species in the process, although singlet oxygen ((1)O(2)) also played a role in the mineralization reaction. Copyright © 2010 Elsevier B.V. All rights reserved.

Optimization of the mineralization of a mixture of phenolic pollutants under a ferrioxalate-induced solar photo-Fenton process

Energy Technology Data Exchange (ETDEWEB)

Monteagudo, J.M., E-mail: josemaria.monteagudo@uclm.es [University of Castilla-La Mancha, Grupo IMAES, Department of Chemical Engineering, Escuela Tecnica Superior de Ingenieros Industriales, Avda. Camilo Jose Cela, 1, 13071 Ciudad Real (Spain); Duran, A.; Aguirre, M.; San Martin, I. [University of Castilla-La Mancha, Grupo IMAES, Department of Chemical Engineering, Escuela Tecnica Superior de Ingenieros Industriales, Avda. Camilo Jose Cela, 1, 13071 Ciudad Real (Spain)

2011-01-15

The mineralization of solutions containing a mixture of three phenolic compounds, gallic, p-coumaric and protocatechuic acids, in a ferrioxalate-induced solar photo-Fenton process was investigated. The reactions were carried out in a pilot plant consisting of a compound parabolic collector (CPC) solar reactor. An optimization study was performed combining a multivariate experimental design and neuronal networks that included the following variables: pH, temperature, solar power, air flow and initial concentrations of H{sub 2}O{sub 2}, Fe(II) and oxalic acid. Under optimal conditions, total elimination of the original compounds and 94% TOC removal of the mixture were achieved in 5 and 194 min, respectively. pH and initial concentrations of H{sub 2}O{sub 2} and Fe(II) were the most significant factors affecting the mixture mineralization. The molar correlation between consumed hydrogen peroxide and removed TOC was always between 1 and 3. A detailed analysis of the reaction was presented. The values of the pseudo-first-order mineralization kinetic rate constant, k{sub TOC}, increased as initial Fe(II) and H{sub 2}O{sub 2} concentrations and temperature increased. The optimum pH value also slightly increased with greater Fe(II) and hydrogen peroxide concentrations but decreased when temperature increased. {center_dot}OH and O{sub 2}{center_dot}{sup -} radicals were the main oxidative intermediate species in the process, although singlet oxygen ({sup 1}O{sub 2}) also played a role in the mineralization reaction.

Experimental reversion of the optimal quantum cloning and flipping processes

International Nuclear Information System (INIS)

Sciarrino, Fabio; Secondi, Veronica; De Martini, Francesco

2006-01-01

The quantum cloner machine maps an unknown arbitrary input qubit into two optimal clones and one optimal flipped qubit. By combining linear and nonlinear optical methods we experimentally implement a scheme that, after the cloning transformation, restores the original input qubit in one of the output channels, by using local measurements, classical communication, and feedforward. This nonlocal method demonstrates how the information on the input qubit can be restored after the cloning process. The realization of the reversion process is expected to find useful applications in the field of modern multipartite quantum cryptography

Energy-saving management modelling and optimization for lead-acid battery formation process

Science.gov (United States)

Wang, T.; Chen, Z.; Xu, J. Y.; Wang, F. Y.; Liu, H. M.

2017-11-01

In this context, a typical lead-acid battery producing process is introduced. Based on the formation process, an efficiency management method is proposed. An optimization model with the objective to minimize the formation electricity cost in a single period is established. This optimization model considers several related constraints, together with two influencing factors including the transformation efficiency of IGBT charge-and-discharge machine and the time-of-use price. An example simulation is shown using PSO algorithm to solve this mathematic model, and the proposed optimization strategy is proved to be effective and learnable for energy-saving and efficiency optimization in battery producing industries.

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.

A method of network topology optimization design considering application process characteristic

Science.gov (United States)

Wang, Chunlin; Huang, Ning; Bai, Yanan; Zhang, Shuo

2018-03-01

Communication networks are designed to meet the usage requirements of users for various network applications. The current studies of network topology optimization design mainly considered network traffic, which is the result of network application operation, but not a design element of communication networks. A network application is a procedure of the usage of services by users with some demanded performance requirements, and has obvious process characteristic. In this paper, we first propose a method to optimize the design of communication network topology considering the application process characteristic. Taking the minimum network delay as objective, and the cost of network design and network connective reliability as constraints, an optimization model of network topology design is formulated, and the optimal solution of network topology design is searched by Genetic Algorithm (GA). Furthermore, we investigate the influence of network topology parameter on network delay under the background of multiple process-oriented applications, which can guide the generation of initial population and then improve the efficiency of GA. Numerical simulations show the effectiveness and validity of our proposed method. Network topology optimization design considering applications can improve the reliability of applications, and provide guidance for network builders in the early stage of network design, which is of great significance in engineering practices.

Adsorption analysis equilibria and kinetics

CERN Document Server

Do, Duong D

1998-01-01

This book covers topics of equilibria and kinetics of adsorption in porous media. Fundamental equilibria and kinetics are dealt with for homogeneous as well as heterogeneous particles. Five chapters of the book deal with equilibria and eight chapters deal with kinetics. Single component as well as multicomponent systems are discussed. In kinetics analysis, we deal with the various mass transport processes and their interactions inside a porous particle. Conventional approaches as well as the new approach using Maxwell-Stefan equations are presented. Various methods to measure diffusivity, such

Experimental Study On The Optimization Of Extraction Process Of ...

African Journals Online (AJOL)

The objective is to study the extraction process of garlic oil and its antibacterial effects. Materials and Methods: CO2 Supercritical extraction was used to investigate the optimal processing conditions for garlic oil extraction; filter paper test and suspension dilution test were applied to determine the bacteriostatic action of ...

Fundamental aspects of plasma chemical physics kinetics

CERN Document Server

Capitelli, Mario; Colonna, Gianpiero; Esposito, Fabrizio; Gorse, Claudine; Hassouni, Khaled; Laricchiuta, Annarita; Longo, Savino

2016-01-01

Describing non-equilibrium "cold" plasmas through a chemical physics approach, this book uses the state-to-state plasma kinetics, which considers each internal state as a new species with its own cross sections. Extended atomic and molecular master equations are coupled with Boltzmann and Monte Carlo methods to solve the electron energy distribution function. Selected examples in different applied fields, such as microelectronics, fusion, and aerospace, are presented and discussed including the self-consistent kinetics in RF parallel plate reactors, the optimization of negative ion sources and the expansion of high enthalpy flows through nozzles of different geometries. The book will cover the main aspects of the state-to-state kinetic approach for the description of nonequilibrium cold plasmas, illustrating the more recent achievements in the development of kinetic models including the self-consistent coupling of master equations and Boltzmann equation for electron dynamics. To give a complete portrayal, the...

Parameter optimization of electrochemical machining process using black hole algorithm

Science.gov (United States)

Singh, Dinesh; Shukla, Rajkamal

2017-12-01

Advanced machining processes are significant as higher accuracy in machined component is required in the manufacturing industries. Parameter optimization of machining processes gives optimum control to achieve the desired goals. In this paper, electrochemical machining (ECM) process is considered to evaluate the performance of the considered process using black hole algorithm (BHA). BHA considers the fundamental idea of a black hole theory and it has less operating parameters to tune. The two performance parameters, material removal rate (MRR) and overcut (OC) are considered separately to get optimum machining parameter settings using BHA. The variations of process parameters with respect to the performance parameters are reported for better and effective understanding of the considered process using single objective at a time. The results obtained using BHA are found better while compared with results of other metaheuristic algorithms, such as, genetic algorithm (GA), artificial bee colony (ABC) and bio-geography based optimization (BBO) attempted by previous researchers.

Optimization process planning using hybrid genetic algorithm and intelligent search for job shop machining.

Science.gov (United States)

Salehi, Mojtaba; Bahreininejad, Ardeshir

2011-08-01

Optimization of process planning is considered as the key technology for computer-aided process planning which is a rather complex and difficult procedure. A good process plan of a part is built up based on two elements: (1) the optimized sequence of the operations of the part; and (2) the optimized selection of the machine, cutting tool and Tool Access Direction (TAD) for each operation. In the present work, the process planning is divided into preliminary planning, and secondary/detailed planning. In the preliminary stage, based on the analysis of order and clustering constraints as a compulsive constraint aggregation in operation sequencing and using an intelligent searching strategy, the feasible sequences are generated. Then, in the detailed planning stage, using the genetic algorithm which prunes the initial feasible sequences, the optimized operation sequence and the optimized selection of the machine, cutting tool and TAD for each operation based on optimization constraints as an additive constraint aggregation are obtained. The main contribution of this work is the optimization of sequence of the operations of the part, and optimization of machine selection, cutting tool and TAD for each operation using the intelligent search and genetic algorithm simultaneously.

Kinetics of quasi-isoenergetic transition processes in biological macromolecules

International Nuclear Information System (INIS)

Petrov, E.G.; Teslenko, V.I.

2010-01-01

A master equation describing the evolution of averaged molecular state occupancies in molecular systems where alternation of molecular energy levels is caused by discrete dichotomous and trichotomous stochastic fields, is derived. This study is focused on the kinetics of quasi-isoenergetic transition processes in the presence of moderately high frequency stochastic field. A novel physical mechanism for temperature-independent transitions in flexible molecular systems is proposed. This mechanism becomes effective when the conformation transitions between quasi-isoenergetic molecular states take place. At room temperatures, stochastic broadening of molecular energy levels predominates the energy of low-frequency vibrations accompanying the transition. This leads to a cancellation of the temperature dependence in the stochastically averaged rate constants. As examples, physical interpretations of the temperature-independent onset of P2X 3 receptor desensitization in neuronal membranes, as well as degradation of PER2 protein in embrionic fibroblasts, are provided.

Kinetics of quasi-isoenergetic transition processes in biological macromolecules

Energy Technology Data Exchange (ETDEWEB)

Petrov, E.G., E-mail: epetrov@bitp.kiev.ua [Bogolyubov Institute for Theoretical Physics, National Academy of Sciences of Ukraine, Metrologichna Street, 14-b, UA-03680 Kiev (Ukraine); Teslenko, V.I. [Bogolyubov Institute for Theoretical Physics, National Academy of Sciences of Ukraine, Metrologichna Street, 14-b, UA-03680 Kiev (Ukraine)

2010-10-05

A master equation describing the evolution of averaged molecular state occupancies in molecular systems where alternation of molecular energy levels is caused by discrete dichotomous and trichotomous stochastic fields, is derived. This study is focused on the kinetics of quasi-isoenergetic transition processes in the presence of moderately high frequency stochastic field. A novel physical mechanism for temperature-independent transitions in flexible molecular systems is proposed. This mechanism becomes effective when the conformation transitions between quasi-isoenergetic molecular states take place. At room temperatures, stochastic broadening of molecular energy levels predominates the energy of low-frequency vibrations accompanying the transition. This leads to a cancellation of the temperature dependence in the stochastically averaged rate constants. As examples, physical interpretations of the temperature-independent onset of P2X{sub 3} receptor desensitization in neuronal membranes, as well as degradation of PER2 protein in embrionic fibroblasts, are provided.

Mechanistic, kinetic, and processing aspects of tungsten chemical mechanical polishing

Science.gov (United States)

Stein, David

This dissertation presents an investigation into tungsten chemical mechanical polishing (CMP). CMP is the industrially predominant unit operation that removes excess tungsten after non-selective chemical vapor deposition (CVD) during sub-micron integrated circuit (IC) manufacture. This work explores the CMP process from process engineering and fundamental mechanistic perspectives. The process engineering study optimized an existing CMP process to address issues of polish pad and wafer carrier life. Polish rates, post-CMP metrology of patterned wafers, electrical test data, and synergy with a thermal endpoint technique were used to determine the optimal process. The oxidation rate of tungsten during CMP is significantly lower than the removal rate under identical conditions. Tungsten polished without inhibition during cathodic potentiostatic control. Hertzian indenter model calculations preclude colloids of the size used in tungsten CMP slurries from indenting the tungsten surface. AFM surface topography maps and TEM images of post-CMP tungsten do not show evidence of plow marks or intergranular fracture. Polish rate is dependent on potassium iodate concentration; process temperature is not. The colloid species significantly affects the polish rate and process temperature. Process temperature is not a predictor of polish rate. A process energy balance indicates that the process temperature is predominantly due to shaft work, and that any heat of reaction evolved during the CMP process is negligible. Friction and adhesion between alumina and tungsten were studied using modified AFM techniques. Friction was constant with potassium iodate concentration, but varied with applied pressure. This corroborates the results from the energy balance. Adhesion between the alumina and the tungsten was proportional to the potassium iodate concentration. A heuristic mechanism, which captures the relationship between polish rate, pressure, velocity, and slurry chemistry, is presented

Kinetics of the processes, plasma parameters, and output characteristics of a UV emitter operating on XeI molecules and iodine molecules and atoms

Energy Technology Data Exchange (ETDEWEB)

Shuaibov, A. K.; Grabovaya, I. A.; Minya, A. I.; Homoki, Z. T. [Uzhgorod National University (Ukraine); Kalyuzhnaya, A. G.; Shchedrin, A. I. [National Academy of Sciences of Ukraine, Institute of Physics (Ukraine)

2011-03-15

A kinetic model of the processes occurring in the plasma of a high-power low-pressure gas-discharge lamp is presented, and the output characteristics of the lamp are described. The lamp is excited by a longitudinal glow discharge and emits the I{sub 2}(D Prime -A Prime ) 342-nm and XeI(B-X) 253-nm bands and the 206.2-nm spectral line of atomic iodine. When the emitter operates in a sealed-off mode on the p(He): p(Xe): p(I{sub 2}) = 400: 120: (100-200) Pa mixture, the fractions of the UV radiation power of iodine atoms, exciplex molecules of xenon iodide, and iodine molecules comprise 55, 10, and 35%, respectively. At the optimal partial pressure, the maximum total radiation power of the lamp reaches 37 W, the energy efficiency being about 15%.

Kinetic modelling of anaerobic hydrolysis of solid wastes, including disintegration processes

Energy Technology Data Exchange (ETDEWEB)

García-Gen, Santiago [Department of Chemical Engineering, Institute of Technology, University of Santiago de Compostela, 15782 Santiago de Compostela (Spain); Sousbie, Philippe; Rangaraj, Ganesh [INRA, UR50, Laboratoire de Biotechnologie de l’Environnement, Avenue des Etangs, Narbonne F-11100 (France); Lema, Juan M. [Department of Chemical Engineering, Institute of Technology, University of Santiago de Compostela, 15782 Santiago de Compostela (Spain); Rodríguez, Jorge, E-mail: jrodriguez@masdar.ac.ae [Department of Chemical Engineering, Institute of Technology, University of Santiago de Compostela, 15782 Santiago de Compostela (Spain); Institute Centre for Water and Environment (iWater), Masdar Institute of Science and Technology, PO Box 54224 Abu Dhabi (United Arab Emirates); Steyer, Jean-Philippe; Torrijos, Michel [INRA, UR50, Laboratoire de Biotechnologie de l’Environnement, Avenue des Etangs, Narbonne F-11100 (France)

2015-01-15

Highlights: • Fractionation of solid wastes into readily and slowly biodegradable fractions. • Kinetic coefficients estimation from mono-digestion batch assays. • Validation of kinetic coefficients with a co-digestion continuous experiment. • Simulation of batch and continuous experiments with an ADM1-based model. - Abstract: A methodology to estimate disintegration and hydrolysis kinetic parameters of solid wastes and validate an ADM1-based anaerobic co-digestion model is presented. Kinetic parameters of the model were calibrated from batch reactor experiments treating individually fruit and vegetable wastes (among other residues) following a new protocol for batch tests. In addition, decoupled disintegration kinetics for readily and slowly biodegradable fractions of solid wastes was considered. Calibrated parameters from batch assays of individual substrates were used to validate the model for a semi-continuous co-digestion operation treating simultaneously 5 fruit and vegetable wastes. The semi-continuous experiment was carried out in a lab-scale CSTR reactor for 15 weeks at organic loading rate ranging between 2.0 and 4.7 g VS/L d. The model (built in Matlab/Simulink) fit to a large extent the experimental results in both batch and semi-continuous mode and served as a powerful tool to simulate the digestion or co-digestion of solid wastes.

A Bayesian optimal design for degradation tests based on the inverse Gaussian process

Energy Technology Data Exchange (ETDEWEB)

Peng, Weiwen; Liu, Yu; Li, Yan Feng; Zhu, Shun Peng; Huang, Hong Zhong [University of Electronic Science and Technology of China, Chengdu (China)

2014-10-15

The inverse Gaussian process is recently introduced as an attractive and flexible stochastic process for degradation modeling. This process has been demonstrated as a valuable complement for models that are developed on the basis of the Wiener and gamma processes. We investigate the optimal design of the degradation tests on the basis of the inverse Gaussian process. In addition to an optimal design with pre-estimated planning values of model parameters, we also address the issue of uncertainty in the planning values by using the Bayesian method. An average pre-posterior variance of reliability is used as the optimization criterion. A trade-off between sample size and number of degradation observations is investigated in the degradation test planning. The effects of priors on the optimal designs and on the value of prior information are also investigated and quantified. The degradation test planning of a GaAs Laser device is performed to demonstrate the proposed method.

Optimization of hydraulic turbine diffuser

Directory of Open Access Journals (Sweden)

Moravec Prokop

2016-01-01

Full Text Available Hydraulic turbine diffuser recovers pressure energy from residual kinetic energy on turbine runner outlet. Efficiency of this process is especially important for high specific speed turbines, where almost 50% of available head is utilized within diffuser. Magnitude of the coefficient of pressure recovery can be significantly influenced by designing its proper shape. Present paper focuses on mathematical shape optimization method coupled with CFD. First method is based on direct search Nelder-Mead algorithm, while the second method employs adjoint solver and morphing. Results obtained with both methods are discussed and their advantages/disadvantages summarized.

Reaction kinetics of hydrazine neutralization in steam generator wet lay-up solution: Identifying optimal degradation conditions

International Nuclear Information System (INIS)

Schildermans, Kim; Lecocq, Raphael; Girasa, Emmanuel

2012-09-01

During a nuclear power plant outage, hydrazine is used as an oxygen scavenger in the steam generator lay-up solution. However, due to the carcinogenic effects of hydrazine, more stringent discharge limits are or will be imposed in the environmental permits. Hydrazine discharge could even be prohibited. Consequently, hydrazine alternatives or hydrazine degradation before discharge is needed. This paper presents the laboratory tests performed to characterize the reaction kinetics of hydrazine neutralization using bleach or hydrogen peroxide, catalyzed with either copper sulfate (CuSO 4 ) or potassium permanganate (KMnO 4 ). The tests are performed on two standard steam generator lay-up solutions based on different pH control agents: ammonia or ethanolamine. Different neutralization conditions are tested by varying temperature, oxidant addition, and catalyst concentration, among others, in order to identify the optimal parameters for hydrazine neutralization in a steam generator wet lay-up solution. (authors)

Acid base catalyzed transesterification kinetics of waste cooking oil

Energy Technology Data Exchange (ETDEWEB)

Jain, Siddharth; Sharma, M.P.; Rajvanshi, Shalini [Alternate Hydro Energy Centre, Indian Institute of Technology, Roorkee (India)

2011-01-15

The present study reports the results of kinetics study of acid base catalyzed two step transesterification process of waste cooking oil, carried out at pre-determined optimum temperature of 65 C and 50 C for esterification and transesterification process respectively under the optimum condition of methanol to oil ratio of 3:7 (v/v), catalyst concentration 1%(w/w) for H{sub 2}SO{sub 4} and NaOH and 400 rpm of stirring. The optimum temperature was determined based on the yield of ME at different temperature. Simply, the optimum concentration of H{sub 2}SO{sub 4} and NaOH was determined with respect to ME Yield. The results indicated that both esterification and transesterification reaction are of first order rate reaction with reaction rate constant of 0.0031 min{sup -1} and 0.0078 min{sup -1} respectively showing that the former is a slower process than the later. The maximum yield of 21.50% of ME during esterification and 90.6% from transesterification of pretreated WCO has been obtained. This is the first study of its kind which deals with simplified kinetics of two step acid-base catalyzed transesterification process carried under the above optimum conditions and took about 6 h for complete conversion of TG to ME with least amount of activation energy. Also various parameters related to experiments are optimized with respect to ME yield. (author)

Microbial kinetic for In-Storage-Psychrophilic Anaerobic Digestion (ISPAD).

Science.gov (United States)

Madani-Hosseini, Mahsa; Mulligan, Catherine N; Barrington, Suzelle

2014-12-15

In-Storage-Psychrophilic-Anaerobic-Digestion (ISPAD) is a wastewater storage tank converted into an anaerobic digestion (AD) system by means of an airtight floating geo-membrane. For process optimization, ISPAD requires modelling with well-established microbial kinetics coefficients. The present objectives were to: obtain kinetics coefficients for the modelling of ISPAD; compare the prediction of the conventional and decomposition fitting approach, an innovative fitting technique used in other fields of science, and; obtain equations to predict the maximum growth rate (μmax) of microbial communities as a function of temperature. The method consisted in conducting specific Substrate Activity Tests (SAT) using ISPAD inoculum to monitor the rate of degradation of specific substrates at 8, 18 and 35 °C. Microbial kinetics coefficients were obtained by fitting the Monod equations to SAT. The statistical procedure of Least Square Error analysis was used to minimize the Sum of Squared Errors (SSE) between the measured ISPAD experimental data and the Monod equation values. Comparing both fitting methods, the decomposition approach gave higher correlation coefficient (R) for most kinetics values, as compared to the conventional approach. Tested to predict μmax with temperature, the Square Root equation better predicted temperature dependency of both acidogens and propionate degrading acetogens, while the Arrhenius equation better predicted that of methanogens and butyrate degrading acetogens. Increasing temperature from 18 to 35 °C did not affect butyrate degrading acetogens, likely because of their dominance, as demonstrated by microbial population estimation. The estimated ISPAD kinetics coefficients suggest a robust psychrophilic and mesophilic coexisting microbial community demonstrating acclimation to ambient temperature. Copyright © 2014 Elsevier Ltd. All rights reserved.

The Process of Optimizing Mechanical Sound Quality in Product Design

DEFF Research Database (Denmark)

Eriksen, Kaare; Holst, Thomas

2011-01-01

The research field concerning optimizing product sound quality is a relatively unexplored area, and may become difficult for designers to operate in. To some degree, sound is a highly subjective parameter, which is normally targeted sound specialists. This paper describes the theoretical...... and practical background for managing a process of optimizing the mechanical sound quality in a product design by using simple tools and workshops systematically. The procedure is illustrated by a case study of a computer navigation tool (computer mouse or mouse). The process is divided into 4 phases, which...... clarify the importance of product sound, defining perceptive demands identified by users, and, finally, how to suggest mechanical principles for modification of an existing sound design. The optimized mechanical sound design is followed by tests on users of the product in its use context. The result...

Optimization of multi-objective integrated process planning and scheduling problem using a priority based optimization algorithm

Science.gov (United States)

Ausaf, Muhammad Farhan; Gao, Liang; Li, Xinyu

2015-12-01

For increasing the overall performance of modern manufacturing systems, effective integration of process planning and scheduling functions has been an important area of consideration among researchers. Owing to the complexity of handling process planning and scheduling simultaneously, most of the research work has been limited to solving the integrated process planning and scheduling (IPPS) problem for a single objective function. As there are many conflicting objectives when dealing with process planning and scheduling, real world problems cannot be fully captured considering only a single objective for optimization. Therefore considering multi-objective IPPS (MOIPPS) problem is inevitable. Unfortunately, only a handful of research papers are available on solving MOIPPS problem. In this paper, an optimization algorithm for solving MOIPPS problem is presented. The proposed algorithm uses a set of dispatching rules coupled with priority assignment to optimize the IPPS problem for various objectives like makespan, total machine load, total tardiness, etc. A fixed sized external archive coupled with a crowding distance mechanism is used to store and maintain the non-dominated solutions. To compare the results with other algorithms, a C-matric based method has been used. Instances from four recent papers have been solved to demonstrate the effectiveness of the proposed algorithm. The experimental results show that the proposed method is an efficient approach for solving the MOIPPS problem.

Gold-copper ores processing-Case study: optimization of flotation residue cyanidation

International Nuclear Information System (INIS)

McMullen, J.; Pelletier, P.; Breau, Y.; Pelletier, D.

1999-01-01

Typically, economic optimization of Gold-Copper ore processing presents challenges. Barrick's Bousquet II ore is a good example where many processing units such as gravity, flotation and cyanidation are required to efficiently recover the metals from the ore. Flowsheet criterion, operating strategy selections, cyanidation process optimization and its inter-dependence with flotation are discussed in detail. Real-time conservation integration of the cyanide control strategy has allowed a reduction of cyanide consumption of over 40% since 1994, while maintaining or improving metals recovery. A detailed analysis of the cyanidation control strategy such as key process sensor reliability and accuracy, process monitoring and fault detection is presented. This robust and efficient control strategy is a key building block that enhances the overall economic return of the process plant. (author)

Prediction of vapour-liquid equilibria for the kinetic study of processes based on synthesis gas

Energy Technology Data Exchange (ETDEWEB)

Di Serio, M.; Tesser, R.; Cozzolino, M.; Santacesaria, E. [Naples Univ., Napoli (Italy). Dept. of Chemistry

2006-07-01

Syngas is normally used in the production of a broad range of chemicals and fuels. In many of these processes multiphase reactors, gas-liquid or gas-liquid-solid are used. Kinetic studies in multiphase systems are often complicated by the non-ideal behaviour of reagents and/or products that are consistently partitioned between the liquid and the vapour phase. Moreover, as often kinetic data are collected in batch conditions for the liquid phase, activity coefficients of the partitioned components can consistently change during the time as a consequence of changing the composition of the reaction mixture. Therefore, it is necessary, in these cases, to known the vapor-liquid equilibria (VLE) in order to collect and to interpret correctly the kinetic data. The description of phase equilibria, at high pressures, is usually performed by means of an EOS (Equation of State) allowing the calculation of fugacity coefficients, for each component, in both phases and determining the partition coefficients but the EOS approach involves the experimental determination of the interaction parameters for all the possible binary system of the mixture. For multicomponent mixtures a complete experimental determination of vapourliquid equilibria is very hard, also considering the high pressure and temperatures used. Some predictive group contribution methods have been recently developed. In this paper, we will describe in detail the application of these methods to the methanol homologation, as an example, with the scope of determining more reliable kinetic parameters for this reaction. (orig.)

Radioactive tracer technique in process optimization: applications in the chemical industry

International Nuclear Information System (INIS)

Charlton, J.S.

1989-01-01

Process optimization is concerned with the selection of the most appropriate technological design of the process and with controlling its operation to obtain maximum benefit. The role of radioactive tracers in process optimization is discussed and the various circumstances under which such techniques may be beneficially applied are identified. Case studies are presented which illustrate how radioisotopes may be used to monitor plant performance under dynamic conditions to improve production efficiency and to investigate the cause of production limitations. In addition, the use of sealed sources to provide information complementary to the tracer study is described. (author)

Kinetics of the nitridation of dysprosium during mechanochemical processing

Energy Technology Data Exchange (ETDEWEB)

Alanko, Gordon A.; Osterberg, Daniel D.; Jaques, Brian J. [Department of Materials Science and Engineering, College of Engineering, Boise State University, 1910 University Drive, Boise, ID 83725 (United States); Hurley, Michael F. [Department of Materials Science and Engineering, College of Engineering, Boise State University, 1910 University Drive, Boise, ID 83725 (United States); Center for Advanced Energy Studies, 995 University Boulevard, Idaho Falls, ID 83401 (United States); Butt, Darryl P., E-mail: darrylbutt@boisestate.edu [Department of Materials Science and Engineering, College of Engineering, Boise State University, 1910 University Drive, Boise, ID 83725 (United States); Center for Advanced Energy Studies, 995 University Boulevard, Idaho Falls, ID 83401 (United States)

2015-01-25

Highlights: • DyN was mechanochemically synthesized by milling pure metal under nitrogen. • Temperature and pressure were monitored to investigate reaction progress. • The effects of metal adhered to media on the impact energetics was measured. • The reactive milling kinetics are described in terms of reactive surface formation. - Abstract: Dysprosium nitride was synthesized by the reactive milling of the rare earth metal under 400 kPa nitrogen gas in a planetary ball mill. The nitrogen consumption rate was calculated from in situ temperature and pressure measurements to find the reaction extent as a function of milling time at milling speeds from 350 to 650 rpm. The results are analyzed in terms of a fundamental milling dynamics model in which the input milling energy is the primary driving force for reaction and the rate limiting step of the nitridation kinetics is the formation of chemically active surfaces. The model differs from traditional gas–solid reactions which are often limited by diffusion of a species through a surface layer or by dissociation of the gas molecule. These results give fresh insight into reactive gas–solid milling kinetics.

Tuning of PID controller using optimization techniques for a MIMO process

Science.gov (United States)

Thulasi dharan, S.; Kavyarasan, K.; Bagyaveereswaran, V.

2017-11-01

In this paper, two processes were considered one is Quadruple tank process and the other is CSTR (Continuous Stirred Tank Reactor) process. These are majorly used in many industrial applications for various domains, especially, CSTR in chemical plants.At first mathematical model of both the process is to be done followed by linearization of the system due to MIMO process and controllers are the major part to control the whole process to our desired point as per the applications so the tuning of the controller plays a major role among the whole process. For tuning of parameters we use two optimizations techniques like Particle Swarm Optimization, Genetic Algorithm. The above techniques are majorly used in different applications to obtain which gives the best among all, we use these techniques to obtain the best tuned values among many. Finally, we will compare the performance of the each process with both the techniques.

A kinetic Monte Carlo simulation method of van der Waals epitaxy for atomistic nucleation-growth processes of transition metal dichalcogenides.

Science.gov (United States)

Nie, Yifan; Liang, Chaoping; Cha, Pil-Ryung; Colombo, Luigi; Wallace, Robert M; Cho, Kyeongjae

2017-06-07

Controlled growth of crystalline solids is critical for device applications, and atomistic modeling methods have been developed for bulk crystalline solids. Kinetic Monte Carlo (KMC) simulation method provides detailed atomic scale processes during a solid growth over realistic time scales, but its application to the growth modeling of van der Waals (vdW) heterostructures has not yet been developed. Specifically, the growth of single-layered transition metal dichalcogenides (TMDs) is currently facing tremendous challenges, and a detailed understanding based on KMC simulations would provide critical guidance to enable controlled growth of vdW heterostructures. In this work, a KMC simulation method is developed for the growth modeling on the vdW epitaxy of TMDs. The KMC method has introduced full material parameters for TMDs in bottom-up synthesis: metal and chalcogen adsorption/desorption/diffusion on substrate and grown TMD surface, TMD stacking sequence, chalcogen/metal ratio, flake edge diffusion and vacancy diffusion. The KMC processes result in multiple kinetic behaviors associated with various growth behaviors observed in experiments. Different phenomena observed during vdW epitaxy process are analysed in terms of complex competitions among multiple kinetic processes. The KMC method is used in the investigation and prediction of growth mechanisms, which provide qualitative suggestions to guide experimental study.

Thermodynamic and economic optimization of LNG mixed refrigerant processes

International Nuclear Information System (INIS)

Wang, Mengyu; Khalilpour, Rajab; Abbas, Ali

2014-01-01

Highlights: • We study performance and cost optimization of C3MR and DMR processes. • A new economic objective function is proposed to reduce both compression work and equipment size. • The comparison of C3MR and DMR processes is based on process configuration, performance, and cost. - Abstract: Natural gas liquefaction processes are energy and cost intensive. This paper performs thermodynamic and economic optimization of the mid-scale mixed refrigerant cycles including propane precooled mixed refrigerant (C3MR) and dual mixed refrigerant (DMR) processes. Four different objective functions in this study are selected: total shaft work consumption, total cost investment (TCI), total annualized cost (TAC), and total capital cost of compressors and main cryogenic exchangers (MCHEs). Total cost investment (TCI) is a function of two key variables: shaft work (W) and overall heat transfer coefficient and area (UA) of MCHEs. It is proposed for reducing energy consumption and simultaneously minimizing total capital expenditure (CAPEX) and operating expenditure (OPEX). Total shaft work objective function can result in a 44.5% reduction of shaft work for C3MR and a 48.6% reduction for DMR compared to their baseline values, but infinitely high UA of MCHEs. Optimal results show that total capital cost of compressors and MCHEs is more suitable than other objective functions for the objective of reducing both shaft work and UA. It reduces 14.5% of specific power for C3MR and 26.7% for DMR when achieving the relatively lower UA values than their baseline values. In addition, TCI and TAC can also reduce a certain amount of total shaft work at a finite increased UA

Kinetics and

Directory of Open Access Journals (Sweden)

Mojtaba Ahmadi

2016-11-01

Full Text Available The aqueous degradation of Reactive Yellow 84 (RY84 by potassium peroxydisulfate (K2S2O8 has been studied in laboratory scale experiments. The effect of the initial concentrations of potassium peroxydisulfate and RY84, pH and temperature on RY84 degradation were also examined. Experimental data were analyzed using first and second-order kinetics. The degradation kinetics of RY84 of the potassium peroxydisulfate process followed the second-order reaction kinetics. These rate constants have an extreme values similar to of 9.493 mM−1min−1 at a peroxydisulfate dose of 4 mmol/L. Thermodynamic parameters such as activation (Ea and Gibbs free energy (ΔG° were also evaluated. The negative value of ΔGo and Ea shows the spontaneous reaction natural conditions and exothermic nature.

An Experimental Study of Structural Identification of Bridges Using the Kinetic Energy Optimization Technique and the Direct Matrix Updating Method

Directory of Open Access Journals (Sweden)

Gwanghee Heo

2016-01-01

Full Text Available This paper aims to develop an SI (structural identification technique using the KEOT and the DMUM to decide on optimal location of sensors and to update FE model, respectively, which ultimately contributes to a composition of more effective SHM. Owing to the characteristic structural flexing behavior of cable bridges (e.g., cable-stayed bridges and suspension bridges, which makes them vulnerable to any vibration, systematic and continuous structural health monitoring (SHM is pivotal for them. Since it is necessary to select optimal measurement locations with the fewest possible measurements and also to accurately assess the structural state of a bridge for the development of an effective SHM, an SI technique is as much important to accurately determine the modal parameters of the current structure based on the data optimally obtained. In this study, the kinetic energy optimization technique (KEOT was utilized to determine the optimal measurement locations, while the direct matrix updating method (DMUM was utilized for FE model updating. As a result of experiment, the required number of measurement locations derived from KEOT based on the target mode was reduced by approximately 80% compared to the initial number of measurement locations. Moreover, compared to the eigenvalue of the modal experiment, an improved FE model with a margin of error of less than 1% was derived from DMUM. Thus, the SI technique for cable-stayed bridges proposed in this study, which utilizes both KEOT and DMUM, is proven effective in minimizing the number of sensors while accurately determining the structural dynamic characteristics.

Optimization Of PVDF-TrFE Processing Conditions For The Fabrication Of Organic MEMS Resonators.

Science.gov (United States)

Ducrot, Pierre-Henri; Dufour, Isabelle; Ayela, Cédric

2016-01-21

This paper reports a systematic optimization of processing conditions of PVDF-TrFE piezoelectric thin films, used as integrated transducers in organic MEMS resonators. Indeed, despite data on electromechanical properties of PVDF found in the literature, optimized processing conditions that lead to these properties remain only partially described. In this work, a rigorous optimization of parameters enabling state-of-the-art piezoelectric properties of PVDF-TrFE thin films has been performed via the evaluation of the actuation performance of MEMS resonators. Conditions such as annealing duration, poling field and poling duration have been optimized and repeatability of the process has been demonstrated.

Kinetics of the Leaching Process of an Australian Gibbsitic Bauxite by Hydrochloric Acid

Directory of Open Access Journals (Sweden)

Aichun Zhao

2016-01-01

Full Text Available Gibbsitic bauxite from Australia was leached by hydrochloric acid in this work. Analysis on kinetics for the extraction of Al2O3 was quantitatively studied. It was concluded that the hydrochloric acid leaching process of gibbsitic bauxite was controlled by chemical reaction. Moreover, the mechanism for the dissolution followed the equation, ln⁡k=39.44-1.66×104(1/T, with an apparent activation energy of 137.90 kJ/mol, according to the equation of k=Ae-Ea/RT. This work aims to provide a good theory support for the process control by using a new method of alumina production from the low grade bauxite.

USAF Logistics Process Optimization Study for the Aircraft Asset Sustainment Process. Volume 3. Future to be Asset Sustainment Process Model

National Research Council Canada - National Science Library

Adamson, Anthony

1998-01-01

.... It is published as three separate volumes. Volume I, USAF Logistics Process Optimization Study for the Aircraft Asset Sustainment Process -- Phase II Report, discusses the result and cost/benefit analysis of testing three initiatives...

A computational study on kinetics, mechanism and thermochemistry ...

Indian Academy of Sciences (India)

level procedure employing the optimization at .... for a better understanding of mechanistic pathways, kinetics and thermochemistry we must rely on quantum chemical methods. The aim of this paper is to have .... The search was made along.

Design optimization of single mixed refrigerant LNG process using a hybrid modified coordinate descent algorithm

Science.gov (United States)

Qyyum, Muhammad Abdul; Long, Nguyen Van Duc; Minh, Le Quang; Lee, Moonyong

2018-01-01

Design optimization of the single mixed refrigerant (SMR) natural gas liquefaction (LNG) process involves highly non-linear interactions between decision variables, constraints, and the objective function. These non-linear interactions lead to an irreversibility, which deteriorates the energy efficiency of the LNG process. In this study, a simple and highly efficient hybrid modified coordinate descent (HMCD) algorithm was proposed to cope with the optimization of the natural gas liquefaction process. The single mixed refrigerant process was modeled in Aspen Hysys® and then connected to a Microsoft Visual Studio environment. The proposed optimization algorithm provided an improved result compared to the other existing methodologies to find the optimal condition of the complex mixed refrigerant natural gas liquefaction process. By applying the proposed optimization algorithm, the SMR process can be designed with the 0.2555 kW specific compression power which is equivalent to 44.3% energy saving as compared to the base case. Furthermore, in terms of coefficient of performance (COP), it can be enhanced up to 34.7% as compared to the base case. The proposed optimization algorithm provides a deep understanding of the optimization of the liquefaction process in both technical and numerical perspectives. In addition, the HMCD algorithm can be employed to any mixed refrigerant based liquefaction process in the natural gas industry.

Non-isothermal kinetic studies on co-processing of olive residue and polypropylene

International Nuclear Information System (INIS)

Aboulkas, A.; El Harfi, K.; El Bouadili, A.

2008-01-01

Co-processing of olive residue with polypropylene was performed in a thermogravimetric analyzer (TGA) reaction system in a nitrogen atmosphere with a view to comparing the process of the mixture with those of the individual components. Experiments were conducted at different heating rates of 2, 10, 20 and 50 K min -1 in the temperature range of 300-975 K based on the results obtained, three thermal stages were identified during the thermal degradation. The first two were dominated by olive residue pyrolysis, while the third was linked to polypropylene pyrolysis, which occurred at much higher temperatures. Discrepancies between the experimental and calculated TG/DTG profiles were considered as a measurement of the extent of interactions occurring on co-pyrolysis. The maximum degradation temperature of each component in the mixture was higher than those of the individual components alone; thus, an increase in thermal stability was expected. The kinetic processing of thermogravimetric data was conducted using the Friedman method

Lipase-catalyzed synthesis of palmitanilide: Kinetic model and antimicrobial activity study.

Science.gov (United States)

Liu, Kuan-Miao; Liu, Kuan-Ju

2016-01-01

Enzymatic syntheses of fatty acid anilides are important owing to their wide range of industrial applications in detergents, shampoo, cosmetics, and surfactant formulations. The amidation reaction of Mucor miehei lipase Lipozyme IM20 was investigated for direct amidation of triacylglycerol in organic solvents. The process parameters (reaction temperature, substrate molar ratio, enzyme amount) were optimized to achieve the highest yield of anilide. The maximum yield of palmitanilide (88.9%) was achieved after 24 h of reaction at 40 °C at an enzyme concentration of 1.4% (70 mg). Kinetics of lipase-catalyzed amidation of aniline with tripalmitin has been investigated. The reaction rate could be described in terms of the Michaelis-Menten equation with a Ping-Pong Bi-Bi mechanism and competitive inhibition by both the substrates. The kinetic constants were estimated by using non-linear regression method using enzyme kinetic modules. The enzyme operational stability study showed that Lipozyme IM20 retained 38.1% of the initial activity for the synthesis of palmitanilide (even after repeated use for 48 h). Palmitanilide, a fatty acid amide, exhibited potent antimicrobial activity toward Bacillus cereus. Copyright © 2015 Elsevier Inc. All rights reserved.

Numerical studies of spray combustion processes of palm oil biodiesel and diesel fuels using reduced chemical kinetic mechanisms

KAUST Repository

Kuti, Olawole

2014-04-01

Spray combustion processes of palm oil biodiesel (PO) and conventional diesel fuels were simulated using the CONVERGE CFD code. Thermochemical and reaction kinetic data (115 species and 460 reactions) by Luo et al. (2012) and Lu et al. (2009) (68 species and 283 reactions) were implemented in the CONVERGE CFD to simulate the spray and combustion processes of the two fuels. Tetradecane (C14H30) and n- heptane (C7H 16) were used as surrogates for diesel. For the palm biodiesel, the mixture of methyl decanoate (C11H20O2), methyl-9-decenoate (C11H19O2) and n-heptane was used as surrogate. The palm biodiesel surrogates were combined in proportions based on the previous GC-MS results for the five major biodiesel components namely methyl palmitate, methyl stearate, methyl oleate, methyl linoleate and methyl linolenate. The Favre-Averaged Navier Stokes based simulation using the renormalization group (RNG) k-ε turbulent model was implemented in the numerical calculations of the spray formation processes while the SAGE chemical kinetic solver is used for the detailed kinetic modeling. The SAGE chemical kinetic solver is directly coupled with the gas phase calculations by renormalization group (RNG) k-ε turbulent model using a well-stirred reactor model. Validations of the spray liquid length, ignition delay and flame lift-off length data were performed against previous experimental results. The simulated liquid length, ignition delay and flame lift-off length were validated at an ambient density of 15kg/m3, and injection pressure conditions of 100, 200 and 300 MPa were utilized. The predicted liquid length, ignition delay and flame lift-off length agree with the trends obtained in the experimental data at all injection conditions. Copyright © 2014 SAE International.