National Energy Outlook Modelling System

Energy Technology Data Exchange (ETDEWEB)

Volkers, C.M. [ECN Policy Studies, Petten (Netherlands)

2013-12-15

For over 20 years, the Energy research Centre of the Netherlands (ECN) has been developing the National Energy Outlook Modelling System (NEOMS) for Energy projections and policy evaluations. NEOMS enables 12 energy models of ECN to exchange data and produce consistent and detailed results.

Cardioplegia heat exchanger design modelling using computational fluid dynamics.

Science.gov (United States)

van Driel, M R

2000-11-01

A new cardioplegia heat exchanger has been developed by Sorin Biomedica. A three-dimensional computer-aided design (CAD) model was optimized using computational fluid dynamics (CFD) modelling. CFD optimization techniques have commonly been applied to velocity flow field analysis, but CFD analysis was also used in this study to predict the heat exchange performance of the design before prototype fabrication. The iterative results of the optimization and the actual heat exchange performance of the final configuration are presented in this paper. Based on the behaviour of this model, both the water and blood fluid flow paths of the heat exchanger were optimized. The simulation predicted superior heat exchange performance using an optimal amount of energy exchange surface area, reducing the total contact surface area, the device priming volume and the material costs. Experimental results confirm the empirical results predicted by the CFD analysis.

The calculation of exchange forces: General results and specific models

International Nuclear Information System (INIS)

Scott, T.C.; Babb, J.F.; Dalgarno, A.; Morgan, J.D. III

1993-01-01

In order to clarify questions about the calculation of the exchange energy of a homonuclear molecular ion, an analysis is carried out of a model problem consisting of the one-dimensional limit of H 2 + . It is demonstrated that the use of the infinite polarization expansion for the localized wave function in the Holstein--Herring formula yields an approximate exchange energy which at large internuclear distances R has the correct leading behavior to O(e -R ) and is close to but not equal to the exact exchange energy. The extension to the n-dimensional double-well problem is presented

Primer on nuclear exchange models

Energy Technology Data Exchange (ETDEWEB)

Hafemeister, David [Physics Department, Cal Poly University, San Luis Obispo, California (United States)

2014-05-09

Basic physics is applied to nuclear force exchange models between two nations. Ultimately, this scenario approach can be used to try and answer the age old question of 'how much is enough?' This work is based on Chapter 2 of Physics of Societal Issues: Calculations on National Security, Environment and Energy (Springer, 2007 and 2014)

Theoretical evaluation on the impact of heat exchanger in Advanced Adiabatic Compressed Air Energy Storage system

International Nuclear Information System (INIS)

Yang, Ke; Zhang, Yuan; Li, Xuemei; Xu, Jianzhong

2014-01-01

Highlights: • A multi-stage AA-CAES system model is established based on thermodynamic theory. • Four Cases about pressure loss and effectiveness of heat exchanger are investigated. • The impact of pressure loss on conversion of heat energy in TES is more sensitive. • The impact of heat exchanger effectiveness in charge process on system is stronger. • Pressure loss in heat exchanger affects the change trends of system efficiency. - Abstract: Advanced Adiabatic Compressed Air Energy Storage (AA-CAES) is a large-scale energy storage system based on gas turbine technology and thermal energy storage (TES). Electrical energy can be converted into internal energy of air and heat energy in TES during the charge process, while reverse energy conversion proceeds during discharge process. The performance of AA-CAES system requires further improvement in order to increase efficiency. In this paper, a multi-stage AA-CAES system model is established, and the influence of effectiveness and pressure loss in heat exchanger on energy conversion and utilization efficiency of AA-CAES system is analyzed theoretically based on the theory of thermodynamics. Four Cases about effectiveness and pressure loss of heat exchanger are investigated and compared with each other. It is found that effectiveness and pressure loss of heat exchanger are directly related to energy conversion and utilization in AA-CAES system. System efficiency changes with the variation of heat exchanger effectiveness and the impact of pressure loss on conversion of heat energy in TES is more sensitive than that of internal energy of air. Pressure loss can cause the complexity of system efficiency change. With appropriate selection of the values of heat exchanger effectiveness for both charge and discharge processes, an AA-CAES system with a higher efficiency could be expected

Formation of vertically aligned carbon nanostructures in plasmas: numerical modelling of growth and energy exchange

Energy Technology Data Exchange (ETDEWEB)

Denysenko, I; Azarenkov, N A, E-mail: idenysenko@yahoo.com [School of Physics and Technology, V N Karazin Kharkiv National University, 4 Svobody sq., 61077 Kharkiv (Ukraine)

2011-05-04

Results on modelling of the plasma-assisted growth of vertically aligned carbon nanostructures and of the energy exchange between the plasma and the growing nanostructures are reviewed. Growth of carbon nanofibres and single-walled carbon nanotubes is considered. Focus is made on studies that use the models based on mass balance equations for species, which are adsorbed on catalyst nanoparticles or walls of the nanostructures. It is shown that the models can be effectively used for the study and optimization of nanostructure growth in plasma-enhanced chemical vapour deposition. The results from these models are in good agreement with the available experimental data on the growth of nanostructures. It is discussed how input parameters for the models may be obtained.

Replica Exchange Gaussian Accelerated Molecular Dynamics: Improved Enhanced Sampling and Free Energy Calculation.

Science.gov (United States)

Huang, Yu-Ming M; McCammon, J Andrew; Miao, Yinglong

2018-04-10

Through adding a harmonic boost potential to smooth the system potential energy surface, Gaussian accelerated molecular dynamics (GaMD) provides enhanced sampling and free energy calculation of biomolecules without the need of predefined reaction coordinates. This work continues to improve the acceleration power and energy reweighting of the GaMD by combining the GaMD with replica exchange algorithms. Two versions of replica exchange GaMD (rex-GaMD) are presented: force constant rex-GaMD and threshold energy rex-GaMD. During simulations of force constant rex-GaMD, the boost potential can be exchanged between replicas of different harmonic force constants with fixed threshold energy. However, the algorithm of threshold energy rex-GaMD tends to switch the threshold energy between lower and upper bounds for generating different levels of boost potential. Testing simulations on three model systems, including the alanine dipeptide, chignolin, and HIV protease, demonstrate that through continuous exchanges of the boost potential, the rex-GaMD simulations not only enhance the conformational transitions of the systems but also narrow down the distribution width of the applied boost potential for accurate energetic reweighting to recover biomolecular free energy profiles.

Oxygen exchange at gas/oxide interfaces: how the apparent activation energy of the surface exchange coefficient depends on the kinetic regime.

Science.gov (United States)

Fielitz, Peter; Borchardt, Günter

2016-08-10

In the dedicated literature the oxygen surface exchange coefficient KO and the equilibrium oxygen exchange rate [Fraktur R] are considered to be directly proportional to each other regardless of the experimental circumstances. Recent experimental observations, however, contradict the consequences of this assumption. Most surprising is the finding that the apparent activation energy of KO depends dramatically on the kinetic regime in which it has been determined, i.e. surface exchange controlled vs. mixed or diffusion controlled. This work demonstrates how the diffusion boundary condition at the gas/solid interface inevitably entails a correlation between the oxygen surface exchange coefficient KO and the oxygen self-diffusion coefficient DO in the bulk ("on top" of the correlation between KO and [Fraktur R] for the pure surface exchange regime). The model can thus quantitatively explain the range of apparent activation energies measured in the different regimes: in the surface exchange regime the apparent activation energy only contains the contribution of the equilibrium exchange rate, whereas in the mixed or in the diffusion controlled regime the contribution of the oxygen self-diffusivity has also to be taken into account, which may yield significantly higher apparent activation energies and simultaneously quantifies the correlation KO ∝ DO(1/2) observed for a large number of oxides in the mixed or diffusion controlled regime, respectively.

A dynamic model for helium core heat exchangers

International Nuclear Information System (INIS)

Schiesser, W.E.; Shih, H.J.; Hartozog, D.G.; Herron, D.M.; Nahmias, D.; Stuber, W.G.; Hindmarsh, A.C.

1990-04-01

To meet the helium (He) requirements of the superconducting supercollider (SSC), the cryogenic plants must be able to respond to time-varying loads. Thus the design and simulation of the cryogenic plants requires dynamic models of their principal components, and in particular, the core heat exchangers. In this paper, we detail the derivation and computer implementation of a model for core heat exchangers consisting of three partial differential equations (PDES) for each fluid stream (the continuity, energy and momentum balances for the He), and one PDE for each parting sheet (the energy balance for the parting sheet metal); the PDEs have time and axial position along the exchanger as independent variables. The computer code can accommodate any number of fluid streams and parting sheets in an adiabatic group. Features of the code include: rigorous or approximate thermodynamic properties for He, upwind and downwind approximation of the PDE spatial derivatives, and sparse matrix time integration. The outputs from the code include the time-dependent axial profiles of the fluid He mass flux, density, pressure, temperature, internal energy and enthalpy. The code is written in transportable Fortran 77, and can therefore be executed on essentially any computer

A dynamic model for helium core heat exchangers

International Nuclear Information System (INIS)

Schiesser, W.E.; Shih, H.J.; Hartzog, D.G.; Herron, D.M.; Nahmias, D.; Stuber, W.G.; Hindmarsh, A.C.

1990-01-01

To meet the helium (He) requirements of the superconducting supercollider (SSC), the cryogenic plants must be able to respond to time-varying loads. Thus the design and simulation of the cryogenic plants requires dynamic models of their principal components, and in particular, the core heat exchangers. In this paper, we detail the derivation and computer implementation of a model for core heat exchangers consisting of three partial differential equations (PDEs) for each fluid stream (the continuity, energy and momentum balances for the He), and one PDE for each parting sheet (the energy balance for the parting sheet metal); the PDEs have time and axial position along the exchanger as independent variables. The computer code can accommodate any number of fluid streams and parting sheets in an adiabatic group. Features of the code include: rigorous or approximate thermodynamic properties for He, upwind and downwind approximation of the PDE spatial derivatives, and sparse matrix time integration. The outputs from the code include the time-dependent axial profiles of the fluid He mass flux, density, pressure, temperature, internal energy and enthalpy. The code is written in transportable Fortran 77, and can therefore be executed on essentially any computer. 10 refs., 10 figs

Tests of the single-pion exchange model

International Nuclear Information System (INIS)

Treiman, S.B.; Yang, C.N.

1983-01-01

The single-pion exchange model (SPEM) of high-energy particle reactions provides an attractively simple picture of seemingly complex processes and has accordingly been much discussed in recent times. The purpose of this note is to call attention to the possibility of subjecting the model to certain tests precisely in the domain where the model stands the best chance of making sense

Air to air fixed plate enthalpy heat exchanger, performance variation and energy analysis

Energy Technology Data Exchange (ETDEWEB)

Nasif, Mohammad Shakir [Universiti Teknologi Petronas, Bandar Seri Iskandar (Malaysia); Alwaked, Rafat [Prince Mohammad Bin Fahd University, Al Khobar (Saudi Arabia); Behnia, Masud [University of Sydney, Sydney (Australia); Morrison, Graham [The University of New South Wales, Sydney (Australia)

2013-11-15

The thermal performance of a Z shape enthalpy heat exchanger utilising 70 gsm Kraft paper as the heat and moisture transfer surface has been investigated. Effects of different inlet air humidity ratio conditions on the heat exchanger effectiveness and on the energy recovered by the heat exchanger have been the main focus of this investigation. A typical air conditioning cooling coil which incorporates an enthalpy heat exchanger has been modelled for tropical climate. Under test conditions, results have shown that latent effectiveness and the moisture resistance coefficient have strong dependency on the inlet air humidity ratio. Moreover, the latent effectiveness has been found to be strongly dependent on the moisture resistance coefficient rather than the convective mass transfer coefficient. Finally, annual energy analysis for Singapore weather conditions have also shown that energy recovered under variable inlet air conditions is 15% less than that recovered under constant inlet air conditions for the same heat exchanger.

Offshore Energy Knowledge Exchange Workshop Report

Energy Technology Data Exchange (ETDEWEB)

none,

2012-04-12

A report detailing the presentations and topics discussed at the Offshore Energy Knowledge Exchange Workshop, an event designed to bring together offshore energy industry representatives to share information, best practices, and lessons learned.

Energy exchange and transition to localization in the asymmetric Fermi-Pasta-Ulam oscillatory chain

Science.gov (United States)

Smirnov, Valeri V.; Shepelev, Denis S.; Manevitch, Leonid I.

2013-01-01

A finite (periodic) FPU chain is chosen as a convenient model for investigating the energy exchange phenomenon in nonlinear oscillatory systems. As we have recently shown, this phenomenon may occur as a consequence of the resonant interaction between high-frequency nonlinear normal modes. This interaction determines both the complete energy exchange between different parts of the chain and the transition to energy localization in an excited group of particles. In the paper, we demonstrate that this mechanism can exist in realistic (asymmetric) models of atomic or molecular oscillatory chains. Also, we study the resonant interaction of conjugated nonlinear normal modes and prove a possibility of linearization of the equations of motion. The theoretical constructions developed in this paper are based on the concepts of "effective particles" and Limiting Phase Trajectories. In particular, an analytical description of energy exchange between the "effective particles" in the terms of non-smooth functions is presented. The analytical results are confirmed with numerical simulations.

Double and super-exchange model in one-dimensional systems

International Nuclear Information System (INIS)

Vallejo, E.; Navarro, O.; Avignon, M.

2010-01-01

We present an analytical and numerical study of the competition between double and super-exchange interactions in a one-dimensional model. For low super-exchange interaction energy we find phase separation between ferromagnetic and anti-ferromagnetic phases. When the super-exchange interaction energy gets larger, the conduction electrons are self-trapped within separate small magnetic polarons. These magnetic polarons contain a single electron inside two or three sites depending on the conduction electron density and form a Wigner crystallization. A new phase separation is found between these small polarons and the anti-ferromagnetic phase. Spin-glass behavior is obtained consistent with experimental results of the nickelate one-dimensional compound Y 2-x Ca x BaNiO 5 .

Modeling the performance of hydrogen-oxygen unitized regenerative proton exchange membrane fuel cells for energy storage

Science.gov (United States)

Guarnieri, Massimo; Alotto, Piergiorgio; Moro, Federico

2015-11-01

Thanks to the independent sizing of power and energy, hydrogen-based energy storage is one of the very few technologies capable of providing long operational times in addition to the other advantages offered by electrochemical energy storage, for example scalability, site versatility, and mobile service. The typical design consists of an electrolyzer in charge mode and a separate fuel cell in discharge mode. Instead, a unitized regenerative fuel cell (URFC) is a single device performing both energy conversions, achieving a higher compactness and power-to-weight ratio. This paper presents a performance model of a URFC based on a proton exchange membrane (PEM) electrolyte and working on hydrogen and oxygen, which can provide high energy and power densities (>0.7 W cm-2). It provides voltage, power, and efficiency at varying load conditions as functions of the controlling physical quantities: temperature, pressure, concentration, and humidification. The model constitutes a tool for designing the interface and control sub-system as well as for exploring optimized cell/stack designs and operational conditions. To date, only a few of such analyses have been carried out and more research is needed in order to explore the true potential of URFCs.

Flow with vibrational energy exchange, application to CO2 electric laser

International Nuclear Information System (INIS)

Dahan, Claude.

1974-01-01

The performances of a continuous wave (CO 2 , N 2 , He) laser ionized by an electron beam are calculated. Several types of phenomena are considered: energy exchange processes between molecules of laser medium, electron molecular excitation processes, aerodynamic phenomena: the energy exchanges accompanying the laser effect generate important quantities of heat, which have to be evacuated by the flow. After a survey of the fundamental assumptions on molecular phenomena, a computer code was developed for following, along the flow, the evolution of the thermodynamic parameters (pressure, temperature), of the laser gain, and of the electrical properties (electron density and temperature). To provide a finer description of the last ones, a model giving the energy distribution of the electrons in the laser medium was established [fr

Stochastic multi-objective model for optimal energy exchange optimization of networked microgrids with presence of renewable generation under risk-based strategies.

Science.gov (United States)

Gazijahani, Farhad Samadi; Ravadanegh, Sajad Najafi; Salehi, Javad

2018-02-01

The inherent volatility and unpredictable nature of renewable generations and load demand pose considerable challenges for energy exchange optimization of microgrids (MG). To address these challenges, this paper proposes a new risk-based multi-objective energy exchange optimization for networked MGs from economic and reliability standpoints under load consumption and renewable power generation uncertainties. In so doing, three various risk-based strategies are distinguished by using conditional value at risk (CVaR) approach. The proposed model is specified as a two-distinct objective function. The first function minimizes the operation and maintenance costs, cost of power transaction between upstream network and MGs as well as power loss cost, whereas the second function minimizes the energy not supplied (ENS) value. Furthermore, the stochastic scenario-based approach is incorporated into the approach in order to handle the uncertainty. Also, Kantorovich distance scenario reduction method has been implemented to reduce the computational burden. Finally, non-dominated sorting genetic algorithm (NSGAII) is applied to minimize the objective functions simultaneously and the best solution is extracted by fuzzy satisfying method with respect to risk-based strategies. To indicate the performance of the proposed model, it is performed on the modified IEEE 33-bus distribution system and the obtained results show that the presented approach can be considered as an efficient tool for optimal energy exchange optimization of MGs. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Transverse-to-longitudinal Emittance-exchange with an Energy Chirped Beam

Energy Technology Data Exchange (ETDEWEB)

Thangaraj, J.; Ruan, J.; Johnson, A.S.; Thurman-Keup, R.; Lumpkin, A.H.; Santucci, J.; Sun, Y.-E; Maxwell, T.; Edwards, H.; /Fermilab

2012-05-01

Emittance exchange has been proposed to increase the performance of free electron lasers by tailoring the phase space of an electron beam. The principle of emittance exchange - where the transverse phase space of the electron beam is exchanged with the longitudinal phase space - has been demonstrated recently at the A0 photoinjector. The experiment used a low charge bunch (250 pC) with no energy chirp. Theory predicts an improvement in the emittance exchange scheme when the incoming beam has an energy chirp imparted on it. The energy chirp helps to overcome the thick lens effect of the deflecting mode cavity and other second order effects that might lead to an incomplete emittance exchange at higher charges. In this work, we report experimental and simulation results from operating the emittance exchange beam line using an energy chirped beam with higher charge (500 pC) at different RF-chirp settings.

Study of influence of exchange rate change on the supply and demand of energy

Energy Technology Data Exchange (ETDEWEB)

Sohn, Y.H.; Shin, D.C. [Korea Energy Economics Institute, Euiwang (Korea, Republic of)

1997-08-01

The change of relative prices of trading goods and non-trading goods due to appreciation or depreciation of real exchange rates influences industrial structure and trading infrastructure by changing output, consumption, import and export, and prices of domestic economy. Considering that energy is used as intermediate input of all industrial sectors as well as in final consumption in the Korean economy which lacks energy resources and relies on imported energy resources, I believe that assessing the concrete effects of the real exchange rate change onto the energy industry must be a very important item in establishing effective energy policy. In this thesis, I measure the elasticity of the exchange rate as endogenous factors related to the energy industry using a CGE model that breaks down the energy industry. One (1) % depreciation of real exchange rate increases the domestic sales prices of all energy industry sectors, and the price increase ratios of petroleum and coal products are calculated as the highest among these. Petroleum and coal products show the highest price increase ratios while both the output and export decrease. On the other hand, depreciation increases the domestic sales prices of power generation, city gas, and heating sectors, but it is found to increase the output apart from petroleum and coal products. Depreciation of the real exchange rate is found to change the composition of the energy industry from petroleum and coal products to power generation, city gas, and heating sectors. 11 refs., 1 fig., 6 tabs.

Modelling of the change in national exchange rate model depending on the economic parameters of a natural gas cogeneration system: Turkey case

International Nuclear Information System (INIS)

Inan, Aslan; Izgi, Ercan; Ay, Selim

2009-01-01

In this paper, to what extent a cogeneration system's fixed and variable costs and profits are affected from the exchange rate model implemented in the country is examined. An autoproductor system, as known, uses a part of its electrical energy production for its own requirements while selling the remaining energy to the regional energy corporation. As a function of the load factor and the fuel cost, the production cost and energy sale income of the system are influenced much by the exchange rate model of the country. A cost analysis of a natural gas cogeneration (autoproductor) system has been performed for the numerical application, based on the monetary program supported by the IMF commenced in January 2000. In order to investigate the effect of the change in exchange rate model (introducing the floating exchange rate model) on the fuel cost, both the characteristics of the IMF program and some various forecasting methods have been utilized

Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions

Science.gov (United States)

Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

2018-04-01

The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.

A phenomenological study of the π- p → π0 n charge exchange reaction at high energy

International Nuclear Information System (INIS)

Michaud, Y.

1995-01-01

The aim of the study was to examine the behaviour of the proton-proton elastic scattering, for mass center energies around 10 GeV, and more especially to study the charge exchange reaction π - p → π 0 n for mass center energies between 3 and 20 GeV. A formalism based on the Glauber model has been used, and a Regge trajectory exchange term was introduced in the model in order to enable the description of the lower energy domain (inferior to 10 GeV) that is characterized by a large contribution of meson exchanges at the scattering amplitude. The Glauber model is then applied to the charge exchange reaction and the differential cross section is analyzed for a center mass energy comprised between 3 and 20 GeV, together with the polarization at 40 GeV/c. The approach is then validated through the study of the π - p → η n reaction. The size of the kernel of proton and pion components implied in the π - p → π 0 n reaction, is also investigated. 90 refs., 48 figs., 4 tabs., 5 appends

How important is getting the land surface energy exchange correct in WRF for wind energy forecasting?

Science.gov (United States)

Wharton, S.; Simpson, M.; Osuna, J. L.; Newman, J. F.; Biraud, S.

2013-12-01

Wind power forecasting is plagued with difficulties in accurately predicting the occurrence and intensity of atmospheric conditions at the heights spanned by industrial-scale turbines (~ 40 to 200 m above ground level). Better simulation of the relevant physics would enable operational practices such as integration of large fractions of wind power into power grids, scheduling maintenance on wind energy facilities, and deciding design criteria based on complex loads for next-generation turbines and siting. Accurately simulating the surface energy processes in numerical models may be critically important for wind energy forecasting as energy exchange at the surface strongly drives atmospheric mixing (i.e., stability) in the lower layers of the planetary boundary layer (PBL), which in turn largely determines wind shear and turbulence at heights found in the turbine rotor-disk. We hypothesize that simulating accurate a surface-atmosphere energy coupling should lead to more accurate predictions of wind speed and turbulence at heights within the turbine rotor-disk. Here, we tested 10 different land surface model configurations in the Weather Research and Forecasting (WRF) model including Noah, Noah-MP, SSiB, Pleim-Xiu, RUC, and others to evaluate (1) the accuracy of simulated surface energy fluxes to flux tower measurements, (2) the accuracy of forecasted wind speeds to observations at rotor-disk heights, and (3) the sensitivity of forecasting hub-height rotor disk wind speed to the choice of land surface model. WRF was run for four, two-week periods covering both summer and winter periods over the Southern Great Plains ARM site in Oklahoma. Continuous measurements of surface energy fluxes and lidar-based wind speed, direction and turbulence were also available. The SGP ARM site provided an ideal location for this evaluation as it centrally located in the wind-rich Great Plains and multi-MW wind farms are rapidly expanding in the area. We found significant differences in

Folding model study of the charge-exchange scattering to the isobaric analog state and implication for the nuclear symmetry energy

International Nuclear Information System (INIS)

Khoa, Dao T.; Thang, Dang Ngoc; Loc, Bui Minh

2014-01-01

The Fermi transition (ΔL = ΔS = 0 and ΔT = 1) between the nuclear isobaric analog states (IAS), induced by the charge-exchange (p, n) or ( 3 He, t) reaction, can be considered as ''elastic'' scattering of proton or 3 He by the isovector term of the optical potential (OP) that flips the projectile isospin. The accurately measured (p, n) or ( 3 He, t) scattering cross section to the IAS can be used, therefore, to probe the isospin dependence of the proton or 3 He optical potential. Within the folding model, the isovector part of the OP is determined exclusively by the neutron-proton difference in the nuclear densities and the isospin dependence of the effective nucleon-nucleon (NN) interaction. Because the isovector coupling explicitly links the isovector part of the proton or 3 He optical potential to the cross section of the charge-exchange (p, n) or ( 3 He, t) scattering to the IAS, the isospin dependence of the effective (in-medium) NN interaction can be well tested in the folding model analysis of these charge-exchange reactions. On the other hand, the same isospin- and density-dependent NN interaction can also be used in a Hartree-Fock calculation of asymmetric nuclear matter, to estimate the nuclear matter energy and its asymmetry part (the nuclear symmetry energy). As a result, the fine-tuning of the isospin dependence of the effective NN interaction against the measured (p, n) or ( 3 He, t) cross sections should allow us to make some realistic prediction of the nuclear symmetry energy and its density dependence. (orig.)

Role of energy exchange in vibrational dephasing processes in liquids and solids

International Nuclear Information System (INIS)

Marks, S.

1981-08-01

Three theories which claim relevance to the dephasing of molecular vibrations in condensed phase matter are presented. All of these theories predict (in certain limiting cases) that the widths and shifts of molecular vibrations will obey an Arrhenius temperature dependence. The basic tenets of the theories are detailed so that the differences between them may be used in an experiment to distinguish between them. One model, based on intermolecular energy exchange of low-frequency modes, results in dephasing the high-frequency modes when anharmonic coupling is present. A computer analysis of temperature dependent experimental lineshapes can result in the extraction of various parameters such as the anharmonic shifts and the exchange rates. It is shown that, in order to properly assess the relative validity of the three models, other evidence must be obtained such as the spectral parameters of the low-frequency modes, the combination bands, and the isotopic dilution behavior. This evidence is presented for d 14 -durene (perdeutero-1,2,4,5-tetramethylbenzene) and compared to previous data obtained on pure h 14 -durene. An extension of the (HSC) intermolecular energy exchange model which allows for the possibility of partial delocalization of the low-frequency modes gives an adequate description of the experimental evidence. Isotopic dilution experiments, in particular, have resulted in a detailed picture of the energy transfer dynamics of the low-frequency modes. A section in which some spontaneous Raman spectra support a model of inhomogeneous broadening in liquids based on results of picosecond stimulated Raman spectroscopy is presented. The model is that a distribution of environmental sites is created by a distribution in the local density and thus creates inhomogeneous broadening

Folding model study of the charge-exchange scattering to the isobaric analog state and implication for the nuclear symmetry energy

Energy Technology Data Exchange (ETDEWEB)

Khoa, Dao T.; Thang, Dang Ngoc [VINATOM, Institute for Nuclear Science and Technique, Hanoi (Viet Nam); Loc, Bui Minh [VINATOM, Institute for Nuclear Science and Technique, Hanoi (Viet Nam); University of Pedagogy, Ho Chi Minh City (Viet Nam)

2014-02-15

The Fermi transition (ΔL = ΔS = 0 and ΔT = 1) between the nuclear isobaric analog states (IAS), induced by the charge-exchange (p, n) or ({sup 3}He, t) reaction, can be considered as ''elastic'' scattering of proton or {sup 3}He by the isovector term of the optical potential (OP) that flips the projectile isospin. The accurately measured (p, n) or ({sup 3}He, t) scattering cross section to the IAS can be used, therefore, to probe the isospin dependence of the proton or {sup 3}He optical potential. Within the folding model, the isovector part of the OP is determined exclusively by the neutron-proton difference in the nuclear densities and the isospin dependence of the effective nucleon-nucleon (NN) interaction. Because the isovector coupling explicitly links the isovector part of the proton or {sup 3}He optical potential to the cross section of the charge-exchange (p, n) or ({sup 3}He, t) scattering to the IAS, the isospin dependence of the effective (in-medium) NN interaction can be well tested in the folding model analysis of these charge-exchange reactions. On the other hand, the same isospin- and density-dependent NN interaction can also be used in a Hartree-Fock calculation of asymmetric nuclear matter, to estimate the nuclear matter energy and its asymmetry part (the nuclear symmetry energy). As a result, the fine-tuning of the isospin dependence of the effective NN interaction against the measured (p, n) or ({sup 3}He, t) cross sections should allow us to make some realistic prediction of the nuclear symmetry energy and its density dependence. (orig.)

Monte Carlo study of the double and super-exchange model with lattice distortion

Energy Technology Data Exchange (ETDEWEB)

Suarez, J R; Vallejo, E; Navarro, O [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-360, 04510 Mexico D. F. (Mexico); Avignon, M, E-mail: jrsuarez@iim.unam.m [Institut Neel, Centre National de la Recherche Scientifique (CNRS) and Universite Joseph Fourier, BP 166, 38042 Grenoble Cedex 9 (France)

2009-05-01

In this work a magneto-elastic phase transition was obtained in a linear chain due to the interplay between magnetism and lattice distortion in a double and super-exchange model. It is considered a linear chain consisting of localized classical spins interacting with itinerant electrons. Due to the double exchange interaction, localized spins tend to align ferromagnetically. This ferromagnetic tendency is expected to be frustrated by anti-ferromagnetic super-exchange interactions between neighbor localized spins. Additionally, lattice parameter is allowed to have small changes, which contributes harmonically to the energy of the system. Phase diagram is obtained as a function of the electron density and the super-exchange interaction using a Monte Carlo minimization. At low super-exchange interaction energy phase transition between electron-full ferromagnetic distorted and electron-empty anti-ferromagnetic undistorted phases occurs. In this case all electrons and lattice distortions were found within the ferromagnetic domain. For high super-exchange interaction energy, phase transition between two site distorted periodic arrangement of independent magnetic polarons ordered anti-ferromagnetically and the electron-empty anti-ferromagnetic undistorted phase was found. For this high interaction energy, Wigner crystallization, lattice distortion and charge distribution inside two-site polarons were obtained.

Energy-exchange collisions of dark-bright-bright vector solitons.

Science.gov (United States)

Radhakrishnan, R; Manikandan, N; Aravinthan, K

2015-12-01

We find a dark component guiding the practically interesting bright-bright vector one-soliton to two different parametric domains giving rise to different physical situations by constructing a more general form of three-component dark-bright-bright mixed vector one-soliton solution of the generalized Manakov model with nine free real parameters. Moreover our main investigation of the collision dynamics of such mixed vector solitons by constructing the multisoliton solution of the generalized Manakov model with the help of Hirota technique reveals that the dark-bright-bright vector two-soliton supports energy-exchange collision dynamics. In particular the dark component preserves its initial form and the energy-exchange collision property of the bright-bright vector two-soliton solution of the Manakov model during collision. In addition the interactions between bound state dark-bright-bright vector solitons reveal oscillations in their amplitudes. A similar kind of breathing effect was also experimentally observed in the Bose-Einstein condensates. Some possible ways are theoretically suggested not only to control this breathing effect but also to manage the beating, bouncing, jumping, and attraction effects in the collision dynamics of dark-bright-bright vector solitons. The role of multiple free parameters in our solution is examined to define polarization vector, envelope speed, envelope width, envelope amplitude, grayness, and complex modulation of our solution. It is interesting to note that the polarization vector of our mixed vector one-soliton evolves in sphere or hyperboloid depending upon the initial parametric choices.

Policy modeling for industrial energy use

Energy Technology Data Exchange (ETDEWEB)

Worrell, Ernst; Park, Hi-Chun; Lee, Sang-Gon; Jung, Yonghun; Kato, Hiroyuki; Ramesohl, Stephan; Boyd, Gale; Eichhammer, Wolfgang; Nyboer, John; Jaccard, Mark; Nordqvist, Joakim; Boyd, Christopher; Klee, Howard; Anglani, Norma; Biermans, Gijs

2003-03-01

The international workshop on Policy Modeling for Industrial Energy Use was jointly organized by EETA (Professional Network for Engineering Economic Technology Analysis) and INEDIS (International Network for Energy Demand Analysis in the Industrial Sector). The workshop has helped to layout the needs and challenges to include policy more explicitly in energy-efficiency modeling. The current state-of-the-art models have a proven track record in forecasting future trends under conditions similar to those faced in the recent past. However, the future of energy policy in a climate-restrained world is likely to demand different and additional services to be provided by energy modelers. In this workshop some of the international models used to make energy consumption forecasts have been discussed as well as innovations to enable the modeling of policy scenarios. This was followed by the discussion of future challenges, new insights in the data needed to determine the inputs into energy model s, and methods to incorporate decision making and policy in the models. Based on the discussion the workshop participants came to the following conclusions and recommendations: Current energy models are already complex, and it is already difficult to collect the model inputs. Hence, new approaches should be transparent and not lead to extremely complex models that try to ''do everything''. The model structure will be determined by the questions that need to be answered. A good understanding of the decision making framework of policy makers and clear communication on the needs are essential to make any future energy modeling effort successful. There is a need to better understand the effects of policy on future energy use, emissions and the economy. To allow the inclusion of policy instruments in models, evaluation of programs and instruments is essential, and need to be included in the policy instrument design. Increased efforts are needed to better understand the

Spin-density functional for exchange anisotropic Heisenberg model

International Nuclear Information System (INIS)

Prata, G.N.; Penteado, P.H.; Souza, F.C.; Libero, Valter L.

2009-01-01

Ground-state energies for antiferromagnetic Heisenberg models with exchange anisotropy are estimated by means of a local-spin approximation made in the context of the density functional theory. Correlation energy is obtained using the non-linear spin-wave theory for homogeneous systems from which the spin functional is built. Although applicable to chains of any size, the results are shown for small number of sites, to exhibit finite-size effects and allow comparison with exact-numerical data from direct diagonalization of small chains.

Shapley Value-Based Payment Calculation for Energy Exchange between Micro- and Utility Grids

Directory of Open Access Journals (Sweden)

Robin Pilling

2017-10-01

Full Text Available In recent years, microgrids have developed as important parts of power systems and have provided affordable, reliable, and sustainable supplies of electricity. Each microgrid is managed as a single controllable entity with respect to the existing power system but demands for joint operation and sharing the benefits between a microgrid and its hosting utility. This paper is focused on the joint operation of a microgrid and its hosting utility, which cooperatively minimize daily generation costs through energy exchange, and presents a payment calculation scheme for power transactions based on a fair allocation of reduced generation costs. To fairly compensate for energy exchange between the micro- and utility grids, we adopt the cooperative game theoretic solution concept of Shapley value. We design a case study for a fictitious interconnection model between the Mueller microgrid in Austin, Texas and the utility grid in Taiwan. Our case study shows that when compared to standalone generations, both the micro- and utility grids are better off when they collaborate in power exchange regardless of their individual contributions to the power exchange coalition.

Nonlocal exchange and kinetic-energy density functionals for electronic systems

International Nuclear Information System (INIS)

Glossman, M.D.; Rubio, A.; Balbas, L.C.; Alonso, J.A.

1992-01-01

The nonlocal weighted density approximation (WDA) to the exchange and kinetic-energy functionals of many electron systems proposed several years ago by Alonso and Girifalco is used to compute, within the framework of density functional theory, the ground-state electronic density and total energy of noble gas atoms and of neutral jellium-like sodium clusters containing up to 500 atoms. These results are compared with analogous calculations using the well known Thomas-Fermi-Weizsacker-Dirac (TFWD) approximations for the kinetic (TFW) and exchange (D) energy density functionals. An outstanding improvement of the total and exchange energies, of the density at the nucleus and of the expectation values is obtained for atoms within the WDA scheme. For sodium clusters the authors notice a sizeable contribution of the nonlocal effects to the total energy and to the density profiles. In the limit of very large clusters these effects should affect the surface energy of the bulk metal

The empirical relationship between energy futures prices and exchange rates

International Nuclear Information System (INIS)

Sadorsky, P.

2000-01-01

This paper investigates the interaction between energy futures prices and exchange rates. Results are presented to show that futures prices for crude oil, heating oil and unleaded gasoline are co-integrated with a trade-weighted index of exchange rates. This is important because it means that there exists a long-run equilibrium relationship between these four variables. Granger causality results for both the long- and short-run are presented. Evidence is also presented that suggests exchange rates transmit exogenous shocks to energy futures prices. 22 refs

Experimental investigation of using ambient energy to cool Internet Data Center with thermosyphon heat exchanger

Energy Technology Data Exchange (ETDEWEB)

Zhou, F.; Tian, X.; Ma, G. [Beijing Univ. of Technology, Beijing (China). College of Environmental and Energy Engineering

2010-07-01

The energy consumption of the air-conditioning system at the Internet Data Center (IDC) in Beijing comprises 40 per cent of the building's total energy consumption. Of all the energy energy management strategies available at the IDC, the most unique one is the use of ambient energy to cool the IDC by the thermosyphon heat exchanger. Atmospheric energy can reduce the air conditioner's running time while maintaining the humidity and cleanliness of the IDC. In this study, an IDC test model was set up to analyze the heat dissipating characteristics and the energy consumption of the thermosyphon heat exchanger and the air conditioner in the IDC for winter conditions. The heat dissipating capacity of the building envelope was measured and calculated. The energy consumption of the air conditioner was compared under different indoor and outdoor temperatures. The study showed that the heat dissipating need of the IDC cannot be met just by the heat dissipation of the building envelope in winter conditions. The heat dissipating capacity of the IDC building envelope comprises 19.5 per cent of the total heat load. The average energy consumption of the air conditioner is 3.5 to 4 kWh per day. The temperature difference between indoor and outdoor temperature in the IDC with the thermosyphon heat exchanger was less than 20 degrees C, and the energy consumption of the thermosyphon heat exchanger comprised only 41 per cent of that of the air conditioner. 8 refs., 1 tab., 8 figs.

I. Exchange currents in electron scattering from light nuclei. II. Heavy-ion scattering at intermediate and high energy

International Nuclear Information System (INIS)

Dubach, J.F.

1976-01-01

The purpose of this work is to develop a formalism that will allow one to search the wide variety of transitions presented by nuclei in order to locate situations in which the exchange-current effects are important or dominant and thus allow one to study the contributions of the meson exchanges to the electromagnetic densities within the nucleus. The nuclei studied are assumed to be described in a shell model using harmonic oscillator wave functions. The formalism needed to allow one to do a multipole analysis of these exchange currents within 1s and 1p nuclei is developed. This formalism is then applied to an examination of electron scattering from a series of light nuclei: 3 He, 6 Li, 7 Li, 9 Be, and 10 B. Three significant effects due to the inclusion of exchange currents are seen: (1) The exchange currents can often introduce new structure into the form factors. (2) At larger momentum transfer (700 to 1000 MeV/c) the exchange current contributions to the form factor dominate the simpler one-body form factor by a few orders of magnitude. (3) The exchange currents can excite E4 and M5 multipoles in the p shell which are forbidden to the simpler one-body currents. The elastic scattering of two heavy ions at intermediate and high energies (compared to the Coulomb barrier) is examined in the formalism of the WKB and ''Glauber theory'' approximations. As a concrete example, the scattering of 16 O from 60 Ni is studied assuming an optical-model potential that fits elastic scattering data at low energies. One immediate result is that the WKB approximation agrees quite well with ''exact'' numerical calculations at energies as low as 60 MeV. The Glauber theory fails below about 1 GeV but correction terms are developed that can extend the usefulness of the Glauber theory to much lower energies. The model problem of scattering from a black-sphere model of the nucleus is briefly examined

Relativistic one-boson-exchange model for the nucleon-nucleon interaction

International Nuclear Information System (INIS)

Gross, F.; Van Orden, J.W.; Holinde, K.

1992-01-01

Nucleon-nucleon data below 300-MeV laboratory energy are described by a manifestly covariant wave equation in which one of the intermediate nucleons is restricted to its mass shell. Antisymmetrization of the kernel yields an equation in which the two nucleons are treated in an exactly symmetric manner, and in which all amplitudes satisfy the Pauli principle exactly. The kernel is modeled by the sum of one boson exchanges, and four models, all of which fit the data very well (χ 2 congruent 3 per data point) are discussed. Two models require the exchange of only the π, σ, ρ, and ω, but also require an admixture of γ 5 coupling for the pion, while two other models restrict the pion coupling to pure γ 5 γ μ , but require the exchange of six mesons, including the η, and a light scalar-isovector meson referred to as σ 1 . Deuteron wave functions resulting from these models are obtained. The singularities and relativistic effects which are a part of this approach are discussed, and a complete development of the theory is presented

Isolating the exchanges in multiple production

International Nuclear Information System (INIS)

Pirila, P.; Thomas, G.H.; Quigg, C.

1975-01-01

We employ rapidity-gap distributions to identify and study the exchanges between hadron clusters produced in collisions at Fermilab energies. The observation of charge exchange disproves the neutral cluster model. At these energies, the data are consistent with the independent emission of clusters of limited charge or with a true limited-charge-exchange picture. For exchange models, two important parameters are identified: the ratio between vertical-bar ΔQ vertical-bar = 1 and ΔQ = 0 exchange, and the ratio between the density in rapidity of charged clusters and that of neutral clusters. In principle, both of these quantities are measurable, but with existing data only the first can be determined. We use a unitarity calculation to estimate the second. Given an exchange model which fits rapidity-gap distributions, we obtain a solution to the counting problem in the overlap-function calculation of the energy dependence of two-body charge exchange, and estimate the suppression of charge exchange with respect to elastic scattering

SPEEDUPtrademark ion exchange column model

International Nuclear Information System (INIS)

Hang, T.

2000-01-01

A transient model to describe the process of loading a solute onto the granular fixed bed in an ion exchange (IX) column has been developed using the SpeedUptrademark software package. SpeedUp offers the advantage of smooth integration into other existing SpeedUp flowsheet models. The mathematical algorithm of a porous particle diffusion model was adopted to account for convection, axial dispersion, film mass transfer, and pore diffusion. The method of orthogonal collocation on finite elements was employed to solve the governing transport equations. The model allows the use of a non-linear Langmuir isotherm based on an effective binary ionic exchange process. The SpeedUp column model was tested by comparing to the analytical solutions of three transport problems from the ion exchange literature. In addition, a sample calculation of a train of three crystalline silicotitanate (CST) IX columns in series was made using both the SpeedUp model and Purdue University's VERSE-LC code. All test cases showed excellent agreement between the SpeedUp model results and the test data. The model can be readily used for SuperLigtrademark ion exchange resins, once the experimental data are complete

Bag-model quantum chromodynamics for hyperons at low energy

International Nuclear Information System (INIS)

Weber, H.J.; Maslow, J.N.

1980-01-01

In a non-perturbative bag model framework, gluon exchange which mediates quark exchange scattering in conjunction with quark interchange is shown to be the basis of the OBE interactions of hyperons at low energy. (orig.)

Rethinking exchange market models as optimization algorithms

Science.gov (United States)

Luquini, Evandro; Omar, Nizam

2018-02-01

The exchange market model has mainly been used to study the inequality problem. Although the human society inequality problem is very important, the exchange market models dynamics until stationary state and its capability of ranking individuals is interesting in itself. This study considers the hypothesis that the exchange market model could be understood as an optimization procedure. We present herein the implications for algorithmic optimization and also the possibility of a new family of exchange market models

Towards improved local hybrid functionals by calibration of exchange-energy densities

International Nuclear Information System (INIS)

Arbuznikov, Alexei V.; Kaupp, Martin

2014-01-01

A new approach for the calibration of (semi-)local and exact exchange-energy densities in the context of local hybrid functionals is reported. The calibration functions are derived from only the electron density and its spatial derivatives, avoiding spatial derivatives of the exact-exchange energy density or other computationally unfavorable contributions. The calibration functions fulfill the seven more important out of nine known exact constraints. It is shown that calibration improves substantially the definition of a non-dynamical correlation energy term for generalized gradient approximation (GGA)-based local hybrids. Moreover, gauge artifacts in the potential-energy curves of noble-gas dimers may be corrected by calibration. The developed calibration functions are then evaluated for a large range of energy-related properties (atomization energies, reaction barriers, ionization potentials, electron affinities, and total atomic energies) of three sets of local hybrids, using a simple one-parameter local-mixing. The functionals are based on (a) local spin-density approximation (LSDA) or (b) Perdew-Burke-Ernzerhof (PBE) exchange and correlation, and on (c) Becke-88 (B88) exchange and Lee-Yang-Parr (LYP) correlation. While the uncalibrated GGA-based functionals usually provide very poor thermochemical data, calibration allows a dramatic improvement, accompanied by only a small deterioration of reaction barriers. In particular, an optimized BLYP-based local-hybrid functional has been found that is a substantial improvement over the underlying global hybrids, as well as over previously reported LSDA-based local hybrids. It is expected that the present calibration approach will pave the way towards new generations of more accurate hyper-GGA functionals based on a local mixing of exchange-energy densities

Advanced Heat/Mass Exchanger Technology for Geothermal and Solar Renewable Energy Systems

Energy Technology Data Exchange (ETDEWEB)

Greiner, Miles [Univ. of Nevada, Reno, NV (United States); Childress, Amy [Univ. of Nevada, Reno, NV (United States); Hiibel, Sage [Univ. of Nevada, Reno, NV (United States); Kim, Kwang [Univ. of Nevada, Reno, NV (United States); Park, Chanwoo [Univ. of Nevada, Reno, NV (United States); Wirtz, Richard [Univ. of Nevada, Reno, NV (United States)

2014-12-16

Northern Nevada has abundant geothermal and solar energy resources, and these renewable energy sources provide an ample opportunity to produce economically viable power. Heat/mass exchangers are essential components to any energy conversion system. Improvements in the heat/mass exchange process will lead to smaller, less costly (more efficient) systems. There is an emerging heat transfer technology, based on micro/nano/molecular-scale surface science that can be applied to heat/mass exchanger design. The objective is to develop and characterize unique coating materials, surface configurations and membranes capable of accommodating a 10-fold increase in heat/mass exchanger performance via phase change processes (boiling, condensation, etc.) and single phase convective heat/mass transfer.

Nucleon exchange and heat partition in 74Ge + 165Ho collision at energy 8.5 MeV/A

International Nuclear Information System (INIS)

Planeta, R.

1990-01-01

This paper reports that one of the distinctive features of damped heavy-ion reactions is the rapid conversion of relative kinetic energy into heat during the lifetime of the dinuclear system formed in the collision. Of particular interest in this regard are the questions: how heat, or excitation energy, is partitioned between the reaction partners; how heat partition depends on nucleon transfer. Damped collisions at energies near or just above the barrier have been generally interpreted in terms of transport models which account for energy dissipation in terms of nucleon exchange between the projectile-like (PLF) and target-like fragments. Thus, in this context statistical nucleon exchange is the mechanism for heating of the system. Transport model calculation have met considerable success in accounting for the major features of damped collisions, for example, energy dissipation and angular distributions. Nonetheless, many important uncertainties remain

Dynamical contribution to the heat conductivity in stochastic energy exchanges of locally confined gases

Science.gov (United States)

Gaspard, Pierre; Gilbert, Thomas

2017-04-01

We present a systematic computation of the heat conductivity of the Markov jump process modeling the energy exchanges in an array of locally confined hard spheres at the conduction threshold. Based on a variational formula (Sasada 2016 (arXiv:1611.08866)), explicit upper bounds on the conductivity are derived, which exhibit a rapid power-law convergence towards an asymptotic value. We thereby conclude that the ratio of the heat conductivity to the energy exchange frequency deviates from its static contribution by a small negative correction, its dynamic contribution, evaluated to be -0.000 373 in dimensionless units. This prediction is corroborated by kinetic Monte Carlo simulations which were substantially improved compared to earlier results.

Fine modeling of energy exchanges between buildings and urban atmosphere

International Nuclear Information System (INIS)

Daviau-Pellegrin, Noelie

2016-01-01

This thesis work is about the effect of buildings on the urban atmosphere and more precisely the energetic exchanges that take place between these two systems. In order to model more finely the thermal effects of buildings on the atmospheric flows in simulations run under the CFD software Code-Saturne, we proceed to couple this tool with the building model BuildSysPro. This library is run under Dymola and can generate matrices describing the building thermal properties that can be used outside this software. In order to carry out the coupling, we use these matrices in a code that allows the building thermal calculations and the CFD to exchange their results. After a review about the physical phenomena and the existing models, we explain the interactions between the atmosphere and the urban elements, especially buildings. The latter can impact the air flows dynamically, as they act as obstacles, and thermally, through their surface temperatures. At first, we analyse the data obtained from the measurement campaign EM2PAU that we use in order to validate the coupled model. EM2PAU was carried out in Nantes in 2011 and represents a canyon street with two rows of four containers. Its distinctive feature lies in the simultaneous measurements of the air and wall temperatures as well as the wind speeds with anemometers located on a 10 m-high mast for the reference wind and on six locations in the canyon. This aims for studying the thermal influence of buildings on the air flows. Then the numerical simulations of the air flows in EM2PAU is carried out with different methods that allow us to calculate or impose the surface temperature we use for each of the container walls. The first method consists in imposing their temperatures from the measurements. For each wall, we set the temperature to the surface temperature that was measured during the EM2PAU campaign. The second method involves imposing the outdoor air temperature that was measured at a given time to all the

Local density approximations for relativistic exchange energies

International Nuclear Information System (INIS)

MacDonald, A.H.

1986-01-01

The use of local density approximations to approximate exchange interactions in relativistic electron systems is reviewed. Particular attention is paid to the physical content of these exchange energies by discussing results for the uniform relativistic electron gas from a new point of view. Work on applying these local density approximations in atoms and solids is reviewed and it is concluded that good accuracy is usually possible provided self-interaction corrections are applied. The local density approximations necessary for spin-polarized relativistic systems are discussed and some new results are presented

Low-energy pion double charge exchange and nucleon-nucleon correlations in nuclei

International Nuclear Information System (INIS)

Leitch, M.J.

1989-01-01

Recent measurements of pion double-charge exchange (DCX) at energies 20 to 70 MeV are providing a new means for studying nucleon-nucleon correlations in nuclei. At these energies the nucleus is relatively transparent, allowing simpler theoretical models to be used in interpreting the data and leading to a clearer picture. Also the contribution to DCX of sequential charge-exchange scattering through the intermediate analog state is suppressed near 50 MeV and transitions through non-analog intermediate states become very important. Recent theoretical studies by several groups have shown that while transitions through the analog route involve relatively long nucleon-nucleon distances, those through non-analog intermediate states obtain nearly half their strength from nucleon pairs with less than 1 fermi separation. Thus DCX near 50 MeV is an excellent way to study short-range nucleon-nucleon correlations. 31 refs., 29 figs., 4 tabs

Energy exchange in strongly coupled plasmas with electron drift

International Nuclear Information System (INIS)

Akbari-Moghanjoughi, M.; Ghorbanalilu, M.

2015-01-01

In this paper, the generalized viscoelastic collisional quantum hydrodynamic model is employed in order to investigate the linear dielectric response of a quantum plasma in the presence of strong electron-beam plasma interactions. The generalized Chandrasekhar's relativistic degeneracy pressure together with the electron-exchange and Coulomb interaction effects are taken into account in order to extend current research to a wide range of plasma number density relevant to big planetary cores and astrophysical compact objects. The previously calculated shear viscosity and the electron-ion collision frequencies are used for strongly coupled ion fluid. The effect of the electron-beam velocity on complex linear dielectric function is found to be profound. This effect is clearly interpreted in terms of the wave-particle interactions and their energy-exchange according to the sign of the imaginary dielectric function, which is closely related to the wave attenuation coefficient in plasmas. Such kinetic effect is also shown to be in close connection with the stopping power of a charged-particle beam in a quantum plasma. The effect of many independent plasma parameters, such as the ion charge-state, electron beam-velocity, and relativistic degeneracy, is shown to be significant on the growing/damping of plasma instability or energy loss/gain of the electron-beam

Modeling the Volatility of Exchange Rates: GARCH Models

Directory of Open Access Journals (Sweden)

Fahima Charef

2017-03-01

Full Text Available The modeling of the dynamics of the exchange rate at a long time remains a financial and economic research center. In our research we tried to study the relationship between the evolution of exchange rates and macroeconomic fundamentals. Our empirical study is based on a series of exchange rates for the Tunisian dinar against three currencies of major trading partners (dollar, euro, yen and fundamentals (the terms of trade, the inflation rate, the interest rate differential, of monthly data, from jan 2000 to dec-2014, for the case of the Tunisia. We have adopted models of conditional heteroscedasticity (ARCH, GARCH, EGARCH, TGARCH. The results indicate that there is a partial relationship between the evolution of the Tunisian dinar exchange rates and macroeconomic variables.

A run-around heat exchanger system to improve the energy efficiency of a home appliance using hot water

International Nuclear Information System (INIS)

Park, Jae Sung; Jacobi, Anthony M.

2009-01-01

A significant portion of the energy consumed by many home appliances using hot water is used to heat cold supply water. Such home appliances generally are supplied water at a temperature lower than the ambient temperature, and the supply water is normally heated to its maximum operating temperature, often using natural gas or an electrical heater. In some cases, it is possible to pre-heat the supply water and save energy that would normally be consumed by the natural gas or electrical heater. In order to save the energy consumed by an appliance using water heater, a run-around heat exchanger system is used to transfer heat from the ambient to the water before an electrical heater is energized. A simple model to predict the performance of this system is developed and validated, and the model is used to explore design and operating issues relevant to the run-around heat exchanger system. Despite the additional power consumption by the fan and pump of the run-around heat exchanger system, the experimental data and analysis show that for some systems the overall energy efficiency of the appliance can be improved, saving about 6% of the energy used by the baseline machine.

Modeling ion exchange in clinoptilolite using the EQ3/6 geochemical modeling code

International Nuclear Information System (INIS)

Viani, B.E.; Bruton, C.J.

1992-06-01

Assessing the suitability of Yucca Mtn., NV as a potential repository for high-level nuclear waste requires the means to simulate ion-exchange behavior of zeolites. Vanselow and Gapon convention cation-exchange models have been added to geochemical modeling codes EQ3NR/EQ6, allowing exchange to be modeled for up to three exchangers or a single exchanger with three independent sites. Solid-solution models that are numerically equivalent to the ion-exchange models were derived and also implemented in the code. The Gapon model is inconsistent with experimental adsorption isotherms of trace components in clinoptilolite. A one-site Vanselow model can describe adsorption of Cs or Sr on clinoptilolite, but a two-site Vanselow exchange model is necessary to describe K contents of natural clinoptilolites

Model Uncertainty and Exchange Rate Forecasting

NARCIS (Netherlands)

Kouwenberg, R.; Markiewicz, A.; Verhoeks, R.; Zwinkels, R.C.J.

2017-01-01

Exchange rate models with uncertain and incomplete information predict that investors focus on a small set of fundamentals that changes frequently over time. We design a model selection rule that captures the current set of fundamentals that best predicts the exchange rate. Out-of-sample tests show

Activation energies for iodine-exchange systems containing organic iodine compounds

Energy Technology Data Exchange (ETDEWEB)

Ikeda, N. (Takyo Univ. of Education (Japan). Faculty of Science) Takahashi, Yasuko

1976-01-01

In studies on the nonequilibrium isotopic exchange method for determining iodine in organic iodine compounds, activation energies have been measured to find systems having appropriate rate of exchange reactions. Activation energies are discussed by considering the effect of the structure of organic iodine compounds, the concentrations of reactants and solvent, etc. In homogeneous systems, activation energy is found to become larger in the order of CH/sub 3/Ienergy is less in 100% acetone than in 90% acetone solution. In heterogeneous systems, e.g. org. I(aq.)--I/sub 2/(CCL/sub 4/ or C/sub 2/H/sub 4/Cl/sub 2/), activation energy increases in the order of 3,5-diiodotyrosine<3-iodotyrosine<5-iodouracil. The catalytic effect of I/sub 2/ is large, and the iodine ratio between I/sub 2/ and organic iodine is a predominant factor in determining the rate of the exchange reaction.

The effect of rotational and translational energy exchange on tracer diffusion in rough hard sphere fluids.

Science.gov (United States)

Kravchenko, Olga; Thachuk, Mark

2011-03-21

A study is presented of tracer diffusion in a rough hard sphere fluid. Unlike smooth hard spheres, collisions between rough hard spheres can exchange rotational and translational energy and momentum. It is expected that as tracer particles become larger, their diffusion constants will tend toward the Stokes-Einstein hydrodynamic result. It has already been shown that in this limit, smooth hard spheres adopt "slip" boundary conditions. The current results show that rough hard spheres adopt boundary conditions proportional to the degree of translational-rotational energy exchange. Spheres for which this exchange is the largest adopt "stick" boundary conditions while those with more intermediate exchange adopt values between the "slip" and "stick" limits. This dependence is found to be almost linear. As well, changes in the diffusion constants as a function of this exchange are examined and it is found that the dependence is stronger than that suggested by the low-density, Boltzmann result. Compared with smooth hard spheres, real molecules undergo inelastic collisions and have attractive wells. Rough hard spheres model the effect of inelasticity and show that even without the presence of attractive forces, the boundary conditions for large particles can deviate from "slip" and approach "stick."

Simplified modeling of liquid-liquid heat exchangers for use in control systems

International Nuclear Information System (INIS)

Laszczyk, Piotr

2017-01-01

For last decades various models of heat exchange processes have been developed to capture their specific dynamic nature. These models have different degrees of complexity depending on modeling assumptions and simplifications. Complexity of mathematical model can be very critical when the model is to be a basis for deriving the control law because it directly affects the complexity of mathematical transformations and complexity of final control algorithm. In this paper, the simplified cross convection model for wide class of heat exchangers is suggested. Apart from very few reports so far, the properties of this modeling approach have never been investigated in detail. The concept for this model is derived from the fundamental principle of energy conservation and combined with a simple dynamical approximation in the form of ordinary differential equations. Within this framework, the simplified tuning procedure of the proposed model is suggested and verified for plate and spiral tube heat exchangers based on experimental data. The dynamical properties and stability of the suggested model are addressed and sensitivity analysis is also presented. It is shown that such a modeling approach preserves high modeling accuracy at very low numerical complexity. The validation results show that the suggested modeling and tuning method is useful for practical applications.

76 FR 6128 - Energy Exchange International, LLC; Supplemental Notice That Initial Market-Based Rate Filing...

Science.gov (United States)

2011-02-03

... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission [Docket No. ER11-2730-000] Energy Exchange International, LLC; Supplemental Notice That Initial Market-Based Rate Filing Includes Request for... proceeding Energy Exchange International, LLC's application for market-based rate authority, with an...

Short-range second order screened exchange correction to RPA correlation energies

Science.gov (United States)

Beuerle, Matthias; Ochsenfeld, Christian

2017-11-01

Direct random phase approximation (RPA) correlation energies have become increasingly popular as a post-Kohn-Sham correction, due to significant improvements over DFT calculations for properties such as long-range dispersion effects, which are problematic in conventional density functional theory. On the other hand, RPA still has various weaknesses, such as unsatisfactory results for non-isogyric processes. This can in parts be attributed to the self-correlation present in RPA correlation energies, leading to significant self-interaction errors. Therefore a variety of schemes have been devised to include exchange in the calculation of RPA correlation energies in order to correct this shortcoming. One of the most popular RPA plus exchange schemes is the second order screened exchange (SOSEX) correction. RPA + SOSEX delivers more accurate absolute correlation energies and also improves upon RPA for non-isogyric processes. On the other hand, RPA + SOSEX barrier heights are worse than those obtained from plain RPA calculations. To combine the benefits of RPA correlation energies and the SOSEX correction, we introduce a short-range RPA + SOSEX correction. Proof of concept calculations and benchmarks showing the advantages of our method are presented.

Modeling of crude oil fouling in preheat exchangers of refinery distillation units

Energy Technology Data Exchange (ETDEWEB)

Jafari Nasr, Mohammad Reza; Majidi Givi, Mehdi [National Petrochemical Research and Technology Company (NPC-RT), P.O. Box 14385, Tehran (Iran)

2006-10-15

The aim of this paper is to propose a new model for crude oil fouling in preheat exchangers of crude distillation units. The experimental results of Australian light crude oil with the tube side surface temperature between 200 and 260{sup o}C and fluid velocity ranged 0.25-0.4m/s were used [Z. Saleh, R. Sheikholeslami, A.P. Watkinson, Heat exchanger fouling by a light australian crude oil, in: Heat Exchanger Fouling and Cleaning Fundamentals and Applications, Santa Fe, 2003]. The amount of activation energy depends on the surface temperature has been calculated. A new model including a term for fouling formation and a term for fouling removal due to chemical and tube wall shear stress was proposed, respectively. The main superiority of the model are independent to Pr number, thermal fouling removal and determination of {beta} based on experimental tests. Finally using the proposed model the fouling rate of Australian light crude oil has been calculated and the threshold curves to identify fouling and no fouling formation zones have been drawn. (author)

Towards low carbon business park energy systems: Classification of techno-economic energy models

International Nuclear Information System (INIS)

Timmerman, Jonas; Vandevelde, Lieven; Van Eetvelde, Greet

2014-01-01

To mitigate climate destabilisation, human-induced greenhouse gas emissions urgently need to be curbed. A major share of these emissions originates from the industry and energy sectors. Hence, a low carbon shift in industrial and business park energy systems is called for. Low carbon business parks minimise energy-related carbon dioxide emissions by maximal exploitation of local renewable energy production, enhanced energy efficiency, and inter-firm heat exchange, combined in a collective energy system. The holistic approach of techno-economic energy models facilitates the design of such systems, while yielding an optimal trade-off between energetic, economic and environmental performances. However, no models custom-tailored for industrial park energy systems are detected in literature. In this paper, existing energy model classifications are scanned for adequate model characteristics and accordingly, a confined number of models are selected and described. Subsequently, a practical typology is proposed, existing of energy system evolution, optimisation, simulation, accounting and integration models, and key model features are compared. Finally, important features for a business park energy model are identified. - Highlights: • A holistic perspective on (low carbon) business park energy systems is introduced. • A new categorisation of techno-economic energy models is proposed. • Model characteristics are described per model category. • Essential model features for business park energy system modelling are identified. • A strategy towards a techno-economic energy model for business parks is proposed

Optically tunable spin-exchange energy at donor:acceptor interfaces in organic solar cells

International Nuclear Information System (INIS)

Li, Mingxing; Wang, Hongfeng; He, Lei; Zang, Huidong; Xu, Hengxing; Hu, Bin

2014-01-01

Spin-exchange energy is a critical parameter in controlling spin-dependent optic, electronic, and magnetic properties in organic materials. This article reports optically tunable spin-exchange energy by studying the line-shape characteristics in magnetic field effect of photocurrent developed from intermolecular charge-transfer states based on donor:acceptor (P3HT:PCBM) system. Specifically, we divide magnetic field effect of photocurrent into hyperfine (at low field   10 mT) regimes. We observe that increasing photoexcitation intensity can lead to a significant line-shape narrowing in magnetic field effect of photocurrent occurring at the spin-exchange regime. We analyze that the line-shape characteristics is essentially determined by the changing rate of magnetic field-dependent singlet/triplet ratio when a magnetic field perturbs the singlet-triplet transition through spin mixing. Based on our analysis, the line-shape narrowing results indicate that the spin-exchange energy at D:A interfaces can be optically changed by changing photoexcitation intensity through the interactions between intermolecular charge-transfer states. Therefore, our experimental results demonstrate an optical approach to change the spin-exchange energy through the interactions between intermolecular charge-transfer states at donor:acceptor interface in organic materials.

Energy loss and charge exchange processes of high energy heavy ions channeled in crystals

International Nuclear Information System (INIS)

Poizat, J.C.; Andriamonje, S.; Anne, R.; Faria, N.V.d.C.; Chevallier, M.; Cohen, C.; Dural, J.; Farizon-Mazuy, B.; Gaillard, M.J.; Genre, R.; Hage-Ali, M.; Kirsch, R.; L'hoir, A.; Mory, J.; Moulin, J.; Quere, Y.; Remillieux, J.; Schmaus, D.; Toulemonde, M.

1990-01-01

The interaction of moving ions with single crystals is very sensitive to the orientation of the incident beam with respect to the crystalline directions of the target. Our experiments show that high energy heavy ion channeling deeply modifies their slowing down and charge exchange processes. This is due to the fact that channeled ions interact only with outershell target electrons, which means that the electron density they experience is very low and that the binding energy, and then the momentum distribution of these electrons, are quite different from the corresponding average values associated to random incidence. The two experimental studies presented here show the reduction of the energy loss rate for fast channeled heavy ions and illustrate the two aspects of channeling effects on charge exchange, the reduction of electron loss on one hand, and of electron capture on the other hand

Advanced proton-exchange materials for energy efficient fuel cells.

Energy Technology Data Exchange (ETDEWEB)

Fujimoto, Cy H.; Grest, Gary Stephen; Hickner, Michael A.; Cornelius, Christopher James; Staiger, Chad Lynn; Hibbs, Michael R.

2005-12-01

The ''Advanced Proton-Exchange Materials for Energy Efficient Fuel Cells'' Laboratory Directed Research and Development (LDRD) project began in October 2002 and ended in September 2005. This LDRD was funded by the Energy Efficiency and Renewable Energy strategic business unit. The purpose of this LDRD was to initiate the fundamental research necessary for the development of a novel proton-exchange membranes (PEM) to overcome the material and performance limitations of the ''state of the art'' Nafion that is used in both hydrogen and methanol fuel cells. An atomistic modeling effort was added to this LDRD in order to establish a frame work between predicted morphology and observed PEM morphology in order to relate it to fuel cell performance. Significant progress was made in the area of PEM material design, development, and demonstration during this LDRD. A fundamental understanding involving the role of the structure of the PEM material as a function of sulfonic acid content, polymer topology, chemical composition, molecular weight, and electrode electrolyte ink development was demonstrated during this LDRD. PEM materials based upon random and block polyimides, polybenzimidazoles, and polyphenylenes were created and evaluated for improvements in proton conductivity, reduced swelling, reduced O{sub 2} and H{sub 2} permeability, and increased thermal stability. Results from this work reveal that the family of polyphenylenes potentially solves several technical challenges associated with obtaining a high temperature PEM membrane. Fuel cell relevant properties such as high proton conductivity (>120 mS/cm), good thermal stability, and mechanical robustness were demonstrated during this LDRD. This report summarizes the technical accomplishments and results of this LDRD.

Modelling and simulation of a heat exchanger

Science.gov (United States)

Xia, Lei; Deabreu-Garcia, J. Alex; Hartley, Tom T.

1991-01-01

Two models for two different control systems are developed for a parallel heat exchanger. First by spatially lumping a heat exchanger model, a good approximate model which has a high system order is produced. Model reduction techniques are applied to these to obtain low order models that are suitable for dynamic analysis and control design. The simulation method is discussed to ensure a valid simulation result.

Reducing the energy consumption of an earth–air heat exchanger with a PID control system

International Nuclear Information System (INIS)

Diaz-Mendez, S.E.; Patiño-Carachure, C.; Herrera-Castillo, J.A.

2014-01-01

Highlights: • The application of control actions to green technologies has been simulated. • Energy consumption of green technologies can be reduced even more. • The efficiency of green technologies can be raised. • Environmental concerns can be diminished. • The sustainability of the planet can be increased. - Abstract: Reducing environmental emissions is one of the challenges that human being has to overcome. It can only be reached with a proper energetic efficiency and management of the processes that exist in the society nowadays. Several academic works have mentioned that raising the efficiency of a process it also increases sustainability and in turn decreases the environmental impact. One process that requires much attention is the cooling and heating of buildings; this process contributes to the major part of the electric bill, in particular, if a conventional and old air conditioning is used as commonly occurs in many countries. In recent years there have been developed new alternatives that are used in few countries, such as the earth–air heat exchanger, where air is passed through a heat exchanger buried a few meters below the ground. The heat exchanger takes advantage of the well-known difference between the temperature of the surrounding air and the temperature of the ground for cooling or heating the air that is subsequently injected into the buildings. This process requires less energy, then in the present work is thought that a PID (Proportional, Integral and Derivative) controller can be applied to an earth–air heat exchanger to reduce even more the energy consumption. Therefore, a simulation of a thermodynamic model of an earth–air heat exchanger was done and used along with a PID controller, to estimate savings in energy consumption. The results show that the energy consumption can be reduced up to 87% with the PID control, hence the efficiency of the process is increased as well as the sustainability of the planet and thus the

A simplified model for estimating population-scale energy impacts of building envelope air-tightening and mechanical ventilation retrofits

Energy Technology Data Exchange (ETDEWEB)

Logue, Jennifer M. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Turner, William J. N. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Trinity College Dublin, Dublin (Ireland); Walker, Iain S. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Singer, Brett C. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

2015-01-19

Changing the air exchange rate of a home (the sum of the infiltration and mechanical ventilation airflow rates) affects the annual thermal conditioning energy. Large-scale changes to air exchange rates of the housing stock can significantly alter the residential sector's energy consumption. However, the complexity of existing residential energy models is a barrier to the accurate quantification of the impact of policy changes on a state or national level. The Incremental Ventilation Energy (IVE) model developed in this study combines the output of simple air exchange models with a limited set of housing characteristics to estimate the associated change in energy demand of homes. The IVE model was designed specifically to enable modellers to use existing databases of housing characteristics to determine the impact of ventilation policy change on a population scale. The IVE model estimates of energy change when applied to US homes with limited parameterisation are shown to be comparable to the estimates of a well-validated, complex residential energy model.

Charge exchange processes of high energy heavy ions channeled in crystals

International Nuclear Information System (INIS)

Andriamonje, S.; Dural, J.; Toulemonde, M.; Groeneveld, K.O.; Maier, R.; Quere, Y.

1990-01-01

The interaction of moving ions with single crystals is very sensitive to the orientation of the incident beam with respect to the crystalline directions of the target. The experiments show that high energy heavy ion channeling deeply modifies the slowing down and charge exchange processes. In this review, we describe the opportunity offered by channeling conditions to study the charge exchange processes. Some aspects of the charge exchange processes with high energy channeled heavy ions are selected from the extensive literature published over the past few years on this subject. Special attention is given to the work performed at the GANIL facility on the study of Radiative Electron Capture (REG), Electron Impact Ionisation (EII), and convoy electron emission. Finally we emphasize the interest of studying resonant charge exchange processes such as Resonant Coherent Excitation (RCE), Resonant Transfer and Excitation (RTE) or Dielectronic Recombination (DR) and the recently proposed Nuclear Excitation by Electron Capture (NEEC)

Generalized Bogoliubov Polariton Model: An Application to Stock Exchange Market

International Nuclear Information System (INIS)

Anh, Chu Thuy; Anh, Truong Thi Ngoc; Lan, Nguyen Tri; Viet, Nguyen Ai

2016-01-01

A generalized Bogoliubov method for investigation non-simple and complex systems was developed. We take two branch polariton Hamiltonian model in second quantization representation and replace the energies of quasi-particles by two distribution functions of research objects. Application to stock exchange market was taken as an example, where the changing the form of return distribution functions from Boltzmann-like to Gaussian-like was studied. (paper)

International Energy Prices(Exchange Rate and PPP)

Energy Technology Data Exchange (ETDEWEB)

Jo, Sung Han; Yoo, Dong Heon [Korea Energy Economics Institute, Euiwang (Korea)

2000-11-01

Energy is to be specially important to the Korean economy. In the past the major purpose of Korea's energy policies was to ensure that the energy was supplied at the low cost to encourage and sustain economic development and growth. Therefore, energy prices are distorted by government intervention. And this was the cause of inefficiency in usage of energy. In order to improve the energy efficiency and reduce the environmental impact of energy consumption, new energy pricing should be needed to the energy industry and the Korean economy. It is necessary to compare the domestic energy prices with other countries to improve the energy pricing system including tax, the relative structure of energy price, etc. In order to compare the domestic energy prices to those of other countries, the exchange rate, purchasing power parity and Big Mac index are used for calculation of common currency. We select 12 countries, which are Belgium, France, Germany, Greece, Ireland, Italy, Portugal, Spain, Switzerland, Taiwan, Mexico and England. The oil products(gasoline, diesel, heavy fuel oil and light fuel oil), natural gas and electricity are selected to compare the price. (author). 12 refs., 13 tabs.

Proton exchange membrane fuel cells modeling

CERN Document Server

Gao, Fengge; Miraoui, Abdellatif

2013-01-01

The fuel cell is a potential candidate for energy storage and conversion in our future energy mix. It is able to directly convert the chemical energy stored in fuel (e.g. hydrogen) into electricity, without undergoing different intermediary conversion steps. In the field of mobile and stationary applications, it is considered to be one of the future energy solutions.Among the different fuel cell types, the proton exchange membrane (PEM) fuel cell has shown great potential in mobile applications, due to its low operating temperature, solid-state electrolyte and compactness.This book pre

Two-phase plate-fin heat exchanger modeling for waste heat recovery systems in diesel engines

NARCIS (Netherlands)

Feru, E.; Jager, de A.G.; Willems, F.P.T.; Steinbuch, M.

2014-01-01

This paper presents the modeling and model validation for a modular two-phase heat exchanger that recovers energy in heavy-duty diesel engines. The model is developed for temperature and vapor quality prediction and for control design of the waste heat recovery system. In the studied waste heat

Optimization of Heat Exchangers

International Nuclear Information System (INIS)

Catton, Ivan

2010-01-01

The objective of this research is to develop tools to design and optimize heat exchangers (HE) and compact heat exchangers (CHE) for intermediate loop heat transport systems found in the very high temperature reator (VHTR) and other Generation IV designs by addressing heat transfer surface augmentation and conjugate modeling. To optimize heat exchanger, a fast running model must be created that will allow for multiple designs to be compared quickly. To model a heat exchanger, volume averaging theory, VAT, is used. VAT allows for the conservation of mass, momentum and energy to be solved for point by point in a 3 dimensional computer model of a heat exchanger. The end product of this project is a computer code that can predict an optimal configuration for a heat exchanger given only a few constraints (input fluids, size, cost, etc.). As VAT computer code can be used to model characteristics (pumping power, temperatures, and cost) of heat exchangers more quickly than traditional CFD or experiment, optimization of every geometric parameter simultaneously can be made. Using design of experiment, DOE and genetric algorithms, GE, to optimize the results of the computer code will improve heat exchanger design.

Improvement of Energy Efficiency and Environmental Safety of Thermal Energy Through the Implementation of Contact Energy Exchange Processes

Science.gov (United States)

Varlamov, Gennadii Borysovich; Romanova, Kateryna Alexandrovna; Nazarova, Iryna; Daschenko, Olga; Kapustiansky, Andry

2017-12-01

Energy efficiency improvement and ecological safety of heat power plants are urgent problems, which require scientifically grounded approaches and solutions. These problems can be solved partly within the presented heat-and-power cycles by including contact energy exchange equipment in the circuits of existing installations. A significant positive effect is obtained in the contact energy exchange installations, such as gas-steam installation `Aquarius' and the contact hydrogen heat generator that also can use hydrogen as a fuel. In these plants, the efficiency increases approximately by 10-12% in comparison with traditional installations, and the concentration of toxic substances, such as nitrogen oxides and carbon monoxide in flue gas can be reduced to 30 mg/m3 and to 5 mg/m3, respectively. Moreover, the plants additionally `generate' the clean water, which can be used for technical purposes.

Fragmentary model of exchange interactions

CERN Document Server

Kotov, V M

2000-01-01

This article makes attempt to refusal from using neutrino for explanation continuous distribution of beta particle energy by conversion to characteristic exchange interaction particles in nucleolus. It is taking formulation for nuclear position with many different fragments. It is computing half-value period of spontaneous fission of heavy nucleolus. (author)

Multiple exchange and high-energy fixed-angle scattering

CERN Document Server

Halliday, I G; Orzalesi, C A; Tau, M

1975-01-01

The application of the eikonal ansatz to fermion fermion elastic scattering with Abelian vector gluon exchanges is discussed. The behaviours of the elastic scattering amplitude and the elastic form factor are considered and an important mechanism for fixed angle high energy elastic scattering is identified. (6 refs).

Heat pipe heat exchanger and its potential to energy recovery in the tropics

Directory of Open Access Journals (Sweden)

Yau Yat H.

2015-01-01

Full Text Available The heat recovery by the heat pipe heat exchangers was studied in the tropics. Heat pipe heat exchangers with two, four, six, and eight numbers of rows were examined for this purpose. The coil face velocity was set at 2 m/s and the temperature of return air was kept at 24°C in this study. The performance of the heat pipe heat exchangers was recorded during the one week of operation (168 hours to examine the performance data. Then, the collected data from the one week of operation were used to estimate the amount of energy recovered by the heat pipe heat exchangers annually. The effect of the inside design temperature and the coil face velocity on the energy recovery for a typical heat pipe heat exchanger was also investigated. In addition, heat pipe heat exchangers were simulated based on the effectiveness-NTU method, and their theoretical values for the thermal performance were compared with the experimental results.

Chemical bond as a test of density-gradient expansions for kinetic and exchange energies

International Nuclear Information System (INIS)

Perdew, J.P.; Levy, M.; Painter, G.S.; Wei, S.; Lagowski, J.B.

1988-01-01

Errors in kinetic and exchange contributions to the molecular bonding energy are assessed for approximate density functionals by reference to near-exact Hartree-Fock values. From the molecular calculations of Allan et al. and of Lee and Ghosh, it is demonstrated that the density-gradient expansion does not accurately describe the noninteracting kinetic contribution to the bonding energy, even when this expansion is carried to fourth order and applied in its spin-density-functional form to accurate Hartree-Fock densities. In a related study, it is demonstrated that the overbinding of molecules such as N 2 and F 2 , which occurs in the local-spin-density (LSD) approximation for the exchange-correlation energy, is not attributable to errors in the self-consistent LSD densities. Contrary to expectations based upon the Gunnarsson-Jones nodality argument, it is found that the LSD approximation for the exchange energy can seriously overbind a molecule even when bonding does not create additional nodes in the occupied valence orbitals. LSD and exact values for the exchange contribution to the bonding energy are displayed and discussed for several molecules

Modeling Multi-commodity Trade Information Exchange Methods

CERN Document Server

Traczyk, Tomasz

2012-01-01

Market mechanisms are entering into new fields of economy, in which some constraints of physical world, e.g. Kirchoffs Law in power grid, must be taken into account during trading. On such markets, some of commodities, like telecommunication bandwidth or electrical energy, appear to be non-storable, and must be exchanged in real-time. On the other hand, the markets tend to react at shortest possible time, so an idea to delegate some competency to autonomous software agents is very attractive. Multi-commodity mechanism addresses the aforementioned requirements. Modeling the relationships between the commodities allows to formulate new, more sophisticated models and mechanisms, which reflect decision situations in a better manner. Application of multi-commodity approach requires solving several issues related to data modeling, communication, semantics aspects of communication, reliability, etc. This book answers some of the questions and points out promising paths for implementation and development. Presented s...

SatisFactory Common Information Data Exchange Model

OpenAIRE

CERTH

2016-01-01

This deliverable defines the Common Information Data Exchange Model (CIDEM). The aim of CIDEM is to provide a model of information elements (e.g. concepts, even, relations, interfaces) used for information exchange between components as well as for modelling work performed by other tasks (e.g. knowledge models to support human resources optimization). The CIDEM definition is considered as a shared vocabulary that enables to address the information needs for the SatisFactory framework components.

Information Exchange of the Atomic Energy Society of Japan with Nuclear Societies Worldwide

International Nuclear Information System (INIS)

Masao Hori; Yasushi Tomita

2000-01-01

This paper describes committees of the Atomic Energy Society of Japan (AESJ) related to information exchange, AESJ publications, AESJ Internet applications, and means for future information exchange between nuclear societies

Environmental variation, vegetation distribution, carbon dynamics and water/energy exchange at high latitudes

Science.gov (United States)

McGuire, A.D.; Wirth, C.; Apps, M.; Beringer, J.; Clein, J.; Epstein, H.; Kicklighter, D.W.; Bhatti, J.; Chapin, F. S.; De Groot, B.; Efremov, D.; Eugster, W.; Fukuda, M.; Gower, T.; Hinzman, L.; Huntley, B.; Jia, G.J.; Kasischke, E.; Melillo, J.; Romanovsky, V.; Shvidenko, A.; Vaganov, E.; Walker, D.

2002-01-01

The responses of high latitude ecosystems to global change involve complex interactions among environmental variables, vegetation distribution, carbon dynamics, and water and energy exchange. These responses may have important consequences for the earth system. In this study, we evaluated how vegetation distribution, carbon stocks and turnover, and water and energy exchange are related to environmental variation spanned by the network of the IGBP high latitude transects. While the most notable feature of the high latitude transects is that they generally span temperature gradients from southern to northern latitudes, there are substantial differences in temperature among the transects. Also, along each transect temperature co-varies with precipitation and photosynthetically active radiation, which are also variable among the transects. Both climate and disturbance interact to influence latitudinal patterns of vegetation and soil carbon storage among the transects, and vegetation distribution appears to interact with climate to determine exchanges of heat and moisture in high latitudes. Despite limitations imposed by the data we assembled, the analyses in this study have taken an important step toward clarifying the complexity of interactions among environmental variables, vegetation distribution, carbon stocks and turnover, and water and energy exchange in high latitude regions. This study reveals the need to conduct coordinated global change studies in high latitudes to further elucidate how interactions among climate, disturbance, and vegetation distribution influence carbon dynamics and water and energy exchange in high latitudes.

Variable sound speed in interacting dark energy models

Science.gov (United States)

Linton, Mark S.; Pourtsidou, Alkistis; Crittenden, Robert; Maartens, Roy

2018-04-01

We consider a self-consistent and physical approach to interacting dark energy models described by a Lagrangian, and identify a new class of models with variable dark energy sound speed. We show that if the interaction between dark energy in the form of quintessence and cold dark matter is purely momentum exchange this generally leads to a dark energy sound speed that deviates from unity. Choosing a specific sub-case, we study its phenomenology by investigating the effects of the interaction on the cosmic microwave background and linear matter power spectrum. We also perform a global fitting of cosmological parameters using CMB data, and compare our findings to ΛCDM.

Blockchain for Smart Grid Resilience: Exchanging Distributed Energy at Speed, Scale and Security

Energy Technology Data Exchange (ETDEWEB)

Mylrea, Michael E.; Gourisetti, Sri Nikhil Gup

2017-09-18

Blockchain may help solve several complex problems related to integrity and trustworthiness of rapid, distributed, complex energy transactions and data exchanges. In a move towards resilience, blockchain commoditizes trust and enables automated smart contracts to support auditable multiparty transactions based on predefined rules between distributed energy providers and customers. Blockchain based smart contracts also help remove the need to interact with third-parties, facilitating the adoption and monetization of distributed energy transactions and exchanges, both energy flows as well as financial transactions. This may help reduce transactive energy costs and increase the security and sustainability of distributed energy resource (DER) integration, helping to remove barriers to a more decentralized and resilient power grid.

Thermal energy storage systems using fluidized bed heat exchangers

Science.gov (United States)

Weast, T.; Shannon, L.

1980-06-01

A rotary cement kiln and an electric arc furnace were chosen for evaluation to determine the applicability of a fluid bed heat exchanger (FBHX) for thermal energy storage (TES). Multistage shallow bed FBHX's operating with high temperature differences were identified as the most suitable for TES applications. Analysis of the two selected conceptual systems included establishing a plant process flow configuration, an operational scenario, a preliminary FBHX/TES design, and parametric analysis. A computer model was developed to determine the effects of the number of stages, gas temperatures, gas flows, bed materials, charge and discharge time, and parasitic power required for operation. The maximum national energy conservation potential of the cement plant application with TES is 15.4 million barrels of oil or 3.9 million tons of coal per year. For the electric arc furnance application the maximum national conservation potential with TES is 4.5 million barrels of oil or 1.1 million tons of coal per year. Present time of day utility rates are near the breakeven point required for the TES system. Escalation of on-peak energy due to critical fuel shortages could make the FBHX/TES applications economically attractive in the future.

Dynamic model of counter flow air to air heat exchanger for comfort ventilation with condensation and frost formation

DEFF Research Database (Denmark)

Nielsen, Toke Rammer; Rose, Jørgen; Kragh, Jesper

2009-01-01

must be calculated under conditions with condensation and freezing. This article presents a dynamic model of a counter flow air to air heat exchanger taking into account condensation and freezing and melting of ice. The model is implemented in Simulink and results are compared to measurements......In cold climates heat recovery in the ventilation system is essential to reduce heating energy demand. Condensation and freezing occur often in efficient heat exchangers used in cold climates. To develop efficient heat exchangers and defrosting strategies for cold climates, heat and mass transfer...

Comparison of Moving Boundary and Finite-Volume Heat Exchanger Models in the Modelica Language

Directory of Open Access Journals (Sweden)

Adriano Desideri

2016-05-01

Full Text Available When modeling low capacity energy systems, such as a small size (5–150 kWel organic Rankine cycle unit, the governing dynamics are mainly concentrated in the heat exchangers. As a consequence, the accuracy and simulation speed of the higher level system model mainly depend on the heat exchanger model formulation. In particular, the modeling of thermo-flow systems characterized by evaporation or condensation requires heat exchanger models capable of handling phase transitions. To this aim, the finite volume (FV and the moving boundary (MB approaches are the most widely used. The two models are developed and included in the open-source ThermoCycle Modelica library. In this contribution, a comparison between the two approaches is presented. An integrity and accuracy test is designed to evaluate the performance of the FV and MB models during transient conditions. In order to analyze how the two modeling approaches perform when integrated at a system level, two organic Rankine cycle (ORC system models are built using the FV and the MB evaporator model, and their responses are compared against experimental data collected on an 11 kWel ORC power unit. Additionally, the effect of the void fraction value in the MB evaporator model and of the number of control volumes (CVs in the FV one is investigated. The results allow drawing general guidelines for the development of heat exchanger dynamic models involving two-phase flows.

Implementation of nonseparable exact exchange effects in the first-order nondegenerate adiabatic theory

International Nuclear Information System (INIS)

Abdolsalami, M.; Abdolsalami, F.; Gonzalez, H.R.

1994-01-01

We have implemented nonlocal exchange effects rigorously in the first-order nondegenerate adiabatic (FONDA) theory. This implementation requires solving integrodifferential equations that involve double integrals. Separable and model exchange approximations that simplify the inclusion of exchange in the scattering calculations have been previously implemented in the FONDA theory. The discrepancy between the exact exchange FONDA cross sections and the separable and model exchange results suggests that one needs to include exchange rigorously to obtain accurate results over a wide range of energies. Specifically, a difference of up to 30% is observed between the exact and separable exchange FONDA cross sections at near-threshold energies. At higher energies the FONDA results from the rigorous and model exchange implementations disagree by as much as 10%

An one-dimensional model simulating the energy distribution of neutrals going out of a tokamak plasma

International Nuclear Information System (INIS)

Barrado, J.M.; Blazquez, J.B.; Perez-Navarro, A.; Zurro, B.

1977-01-01

An one-dimensional model to analyze the neutral atoms penetration into a hot plasma has been introduced in order to get the ionic temperature from the energy distribution of the charge exchange neutrals, which is obtained following a Montecarlo procedure. The model enhances the influence of the non homogeneous charge-exchange and temperature profiles over the energy distribution. It also shows haw the inner neutrals are screened by the plasma external layers and the dependence of the effective temperature on the charge-exchange cross section. Results agree with experimental data and with obtained through some others more elaborated models. (author) [es

Knowledge brokering on emissions modelling in Strategic Environmental Assessment of Estonian energy policy with special reference to the LEAP model

International Nuclear Information System (INIS)

Kuldna, Piret; Peterson, Kaja; Kuhi-Thalfeldt, Reeli

2015-01-01

Strategic Environmental Assessment (SEA) serves as a platform for bringing together researchers, policy developers and other stakeholders to evaluate and communicate significant environmental and socio-economic effects of policies, plans and programmes. Quantitative computer models can facilitate knowledge exchange between various parties that strive to use scientific findings to guide policy-making decisions. The process of facilitating knowledge generation and exchange, i.e. knowledge brokerage, has been increasingly explored, but there is not much evidence in the literature on how knowledge brokerage activities are used in full cycles of SEAs which employ quantitative models. We report on the SEA process of the national energy plan with reflections on where and how the Long-range Energy Alternatives Planning (LEAP) model was used for knowledge brokerage on emissions modelling between researchers and policy developers. Our main suggestion is that applying a quantitative model not only in ex ante, but also ex post scenario modelling and associated impact assessment can facilitate systematic and inspiring knowledge exchange process on a policy problem and capacity building of participating actors. - Highlights: • We examine the knowledge brokering on emissions modelling between researchers and policy developers in a full cycle of SEA. • Knowledge exchange process can evolve at any modelling stage within SEA. • Ex post scenario modelling enables systematic knowledge exchange and learning on a policy problem

Knowledge brokering on emissions modelling in Strategic Environmental Assessment of Estonian energy policy with special reference to the LEAP model

Energy Technology Data Exchange (ETDEWEB)

Kuldna, Piret, E-mail: piret.kuldna@seit.ee [Stockholm Environment Institute Tallinn Centre, Lai 34, Tallinn 10133 (Estonia); Peterson, Kaja [Stockholm Environment Institute Tallinn Centre, Lai 34, Tallinn 10133 (Estonia); Kuhi-Thalfeldt, Reeli [Stockholm Environment Institute Tallinn Centre, Lai 34, Tallinn 10133 (Estonia); Tallinn University of Technology, Ehitajate tee 5, Tallinn 19086 (Estonia)

2015-09-15

Strategic Environmental Assessment (SEA) serves as a platform for bringing together researchers, policy developers and other stakeholders to evaluate and communicate significant environmental and socio-economic effects of policies, plans and programmes. Quantitative computer models can facilitate knowledge exchange between various parties that strive to use scientific findings to guide policy-making decisions. The process of facilitating knowledge generation and exchange, i.e. knowledge brokerage, has been increasingly explored, but there is not much evidence in the literature on how knowledge brokerage activities are used in full cycles of SEAs which employ quantitative models. We report on the SEA process of the national energy plan with reflections on where and how the Long-range Energy Alternatives Planning (LEAP) model was used for knowledge brokerage on emissions modelling between researchers and policy developers. Our main suggestion is that applying a quantitative model not only in ex ante, but also ex post scenario modelling and associated impact assessment can facilitate systematic and inspiring knowledge exchange process on a policy problem and capacity building of participating actors. - Highlights: • We examine the knowledge brokering on emissions modelling between researchers and policy developers in a full cycle of SEA. • Knowledge exchange process can evolve at any modelling stage within SEA. • Ex post scenario modelling enables systematic knowledge exchange and learning on a policy problem.

Complexity, rate of energy exchanges and stochasticity

International Nuclear Information System (INIS)

Casartelli, M.; Sello, S.

1987-01-01

The complexity of trajectories in the phase of anharmonic crystal (mostly a Lennard-Jones chain) is analysed by the variance of microcanonical density and by new parameters P and chi defined, respectively, as the mean value of the time averages and the relative variance of the absolute exchange rate of energies among the normal modes. Evidence is given to the trapping action of residual invariant surfaces in low stochastic regime of motion. The parameter chi, moreover, proves efficient in exploring the border of stochasticity. A simple power law for P vs. the specific energy is obtained and proved to be independent of stochasticity and of the type of anharmonic potential

Modeling Real Exchange Rate Persistence in Chile

Directory of Open Access Journals (Sweden)

Leonardo Salazar

2017-07-01

Full Text Available The long and persistent swings in the real exchange rate have for a long time puzzled economists. Recent models built on imperfect knowledge economics seem to provide a theoretical explanation for this persistence. Empirical results, based on a cointegrated vector autoregressive (CVAR model, provide evidence of error-increasing behavior in prices and interest rates, which is consistent with the persistence observed in the data. The movements in the real exchange rate are compensated by movements in the interest rate spread, which restores the equilibrium in the product market when the real exchange rate moves away from its long-run benchmark value. Fluctuations in the copper price also explain the deviations of the real exchange rate from its long-run equilibrium value.

Exchange of researchers of oil substituting energies in EU countries; EU shokoku no sekiyu daitai energy kenkyusha koryu jigyo

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-03-01

In order to further promote smoother introduction of oil substituting energies and development of new energies and energy saving technologies, it was intended to exchange and acquire items of information effective to learn the current state and policy trends on research and development of new energies and energy conservation in the EU countries who are the industrialized countries like Japan and enthusiastic in developing oil substituting energies. Therefore, exchange of researchers was carried out with an objective to contribute to research and development of oil substituting energies by deepening mutual understanding on the development efforts and forming efficient cooperative relationship. The researchers who visited Japan are Dr. Robert Durand (France) and Prof. and Dr. Bruno Scrosati (Italy). Dr. Durand has a great knowledge about fuel cells and storage batteries, and Dr. Scrosati about electrolytes and lithium batteries. Both gentlemen have visited the Agency of Industrial Science and Technology and the Agency of Natural Resources and Energy of the Ministry of International Trade and Industry, NEDO, Toshiba, Sony, Sanyo Electric, Japan Storage Battery, Matsushita Battery Industry, the Industrial Technology Research Institute of Osaka, and Kansai Electric Power Company. Views and information were exchanged and a number of good results were rewarded.

Enhancement of particle-wave energy exchange by resonance sweeping

International Nuclear Information System (INIS)

Berk, H.L.; Breizman, B.N.

1995-10-01

It is shown that as the resonance condition of the particle-wave interaction is varied adiabatically, that the particles trapped in the wave will form phase space holes or clumps that can enhance the particle-wave energy exchange. This mechanism can cause much larger saturation levels of instabilities, and even allow the free energy associated with instability, to be tapped in a system that is linearly stable due to background dissipation

A model for soft high-energy scattering: Tensor pomeron and vector odderon

Energy Technology Data Exchange (ETDEWEB)

Ewerz, Carlo, E-mail: C.Ewerz@thphys.uni-heidelberg.de [Institut für Theoretische Physik, Universität Heidelberg, Philosophenweg 16, D-69120 Heidelberg (Germany); ExtreMe Matter Institute EMMI, GSI Helmholtzzentrum für Schwerionenforschung, Planckstraße 1, D-64291 Darmstadt (Germany); Maniatis, Markos, E-mail: mmaniatis@ubiobio.cl [Departamento de Ciencias Básicas, Universidad del Bío-Bío, Avda. Andrés Bello s/n, Casilla 447, Chillán 3780000 (Chile); Nachtmann, Otto, E-mail: O.Nachtmann@thphys.uni-heidelberg.de [Institut für Theoretische Physik, Universität Heidelberg, Philosophenweg 16, D-69120 Heidelberg (Germany)

2014-03-15

A model for soft high-energy scattering is developed. The model is formulated in terms of effective propagators and vertices for the exchange objects: the pomeron, the odderon, and the reggeons. The vertices are required to respect standard rules of QFT. The propagators are constructed taking into account the crossing properties of amplitudes in QFT and the power-law ansätze from the Regge model. We propose to describe the pomeron as an effective spin 2 exchange. This tensor pomeron gives, at high energies, the same results for the pp and pp{sup -bar} elastic amplitudes as the standard Donnachie–Landshoff pomeron. But with our tensor pomeron it is much more natural to write down effective vertices of all kinds which respect the rules of QFT. This is particularly clear for the coupling of the pomeron to particles carrying spin, for instance vector mesons. We describe the odderon as an effective vector exchange. We emphasise that with a tensor pomeron and a vector odderon the corresponding charge-conjugation relations are automatically fulfilled. We compare the model to some experimental data, in particular to data for the total cross sections, in order to determine the model parameters. The model should provide a starting point for a general framework for describing soft high-energy reactions. It should give to experimentalists an easily manageable tool for calculating amplitudes for such reactions and for obtaining predictions which can be compared in detail with data. -- Highlights: •A general model for soft high-energy hadron scattering is developed. •The pomeron is described as effective tensor exchange. •Explicit expressions for effective reggeon–particle vertices are given. •Reggeon–particle and particle–particle vertices are related. •All vertices respect the standard C parity and crossing rules of QFT.

A Range-Based Multivariate Model for Exchange Rate Volatility

NARCIS (Netherlands)

B. Tims (Ben); R.J. Mahieu (Ronald)

2003-01-01

textabstractIn this paper we present a parsimonious multivariate model for exchange rate volatilities based on logarithmic high-low ranges of daily exchange rates. The multivariate stochastic volatility model divides the log range of each exchange rate into two independent latent factors, which are

Evaluating Predictive Uncertainty of Hyporheic Exchange Modelling

Science.gov (United States)

Chow, R.; Bennett, J.; Dugge, J.; Wöhling, T.; Nowak, W.

2017-12-01

Hyporheic exchange is the interaction of water between rivers and groundwater, and is difficult to predict. One of the largest contributions to predictive uncertainty for hyporheic fluxes have been attributed to the representation of heterogeneous subsurface properties. This research aims to evaluate which aspect of the subsurface representation - the spatial distribution of hydrofacies or the model for local-scale (within-facies) heterogeneity - most influences the predictive uncertainty. Also, we seek to identify data types that help reduce this uncertainty best. For this investigation, we conduct a modelling study of the Steinlach River meander, in Southwest Germany. The Steinlach River meander is an experimental site established in 2010 to monitor hyporheic exchange at the meander scale. We use HydroGeoSphere, a fully integrated surface water-groundwater model, to model hyporheic exchange and to assess the predictive uncertainty of hyporheic exchange transit times (HETT). A highly parameterized complex model is built and treated as `virtual reality', which is in turn modelled with simpler subsurface parameterization schemes (Figure). Then, we conduct Monte-Carlo simulations with these models to estimate the predictive uncertainty. Results indicate that: Uncertainty in HETT is relatively small for early times and increases with transit times. Uncertainty from local-scale heterogeneity is negligible compared to uncertainty in the hydrofacies distribution. Introducing more data to a poor model structure may reduce predictive variance, but does not reduce predictive bias. Hydraulic head observations alone cannot constrain the uncertainty of HETT, however an estimate of hyporheic exchange flux proves to be more effective at reducing this uncertainty. Figure: Approach for evaluating predictive model uncertainty. A conceptual model is first developed from the field investigations. A complex model (`virtual reality') is then developed based on that conceptual model

Modeling inflation rates and exchange rates in Ghana: application of multivariate GARCH models.

Science.gov (United States)

Nortey, Ezekiel Nn; Ngoh, Delali D; Doku-Amponsah, Kwabena; Ofori-Boateng, Kenneth

2015-01-01

This paper was aimed at investigating the volatility and conditional relationship among inflation rates, exchange rates and interest rates as well as to construct a model using multivariate GARCH DCC and BEKK models using Ghana data from January 1990 to December 2013. The study revealed that the cumulative depreciation of the cedi to the US dollar from 1990 to 2013 is 7,010.2% and the yearly weighted depreciation of the cedi to the US dollar for the period is 20.4%. There was evidence that, the fact that inflation rate was stable, does not mean that exchange rates and interest rates are expected to be stable. Rather, when the cedi performs well on the forex, inflation rates and interest rates react positively and become stable in the long run. The BEKK model is robust to modelling and forecasting volatility of inflation rates, exchange rates and interest rates. The DCC model is robust to model the conditional and unconditional correlation among inflation rates, exchange rates and interest rates. The BEKK model, which forecasted high exchange rate volatility for the year 2014, is very robust for modelling the exchange rates in Ghana. The mean equation of the DCC model is also robust to forecast inflation rates in Ghana.

High energy multi-gluon exchange amplitudes

International Nuclear Information System (INIS)

Jaroszewicz, T.

1980-11-01

We examine perturbative high energy n-gluon exchange amplitudes calculated in the Coulomb gauge. If n exceeds the minimum required by the t-channel quantum numbers, such amplitudes are non-leading in lns. We derive a closed system of coupled integral equations for the corresponding two-particle n-gluon vertices, obtained by summing the leading powers of ln(N μ psup(μ)), where psup(μ) is the incident momentum and Nsup(μ) the gauge-defining vector. Our equations are infra-red finite, provided the external particles are colour singlets. (author)

Poster 29. Modelling of ion exchange processes in ultrapure water

International Nuclear Information System (INIS)

Berg, A.; Torstenfelt, B.; Fejes, P.; Foutch, G.L.

1992-01-01

The ion exchange process of the Reactor Water Clean-up (RWCU) system has been studied to better use the maximum possible exchange capacity of the ion exchange resin. Laboratory data have been correlated with computer simulations of the ion exchange process. Data were correlated using a mixed-bed ion exchange model for ultralow ionic concentrations developed at Oklahoma State University. Experimental results of the ion exchange column operation in the concentration range of 10 -3 M boric acid is compared with the simulated performance predicted by the computer model. The model is found to agree reasonably well with the data. (author)

Non-local energy density functionals: models plus some exact general results

International Nuclear Information System (INIS)

March, N.H.

2001-02-01

Holas and March (Phys. Rev. A51, 2040, 1995) gave a formally exact expression for the force - δV xc (r-tilde)/δr-tilde associated with the exchange-correlation potential V xc (r-tilde) of density functional theory. This forged a precise link between first- and second-order density matrices and V xc (r-tilde). Here models are presented in which these low-order matrices can be related to the ground-state electron density. This allows non-local energy density functionals to be constructed within the framework of such models. Finally, results emerging from these models have led to the derivation of some exact 'nuclear cusp' relations for exchange and correlation energy densities in molecules, clusters and condensed phases. (author)

Robustness of Component Models in Energy System Simulators

DEFF Research Database (Denmark)

Elmegaard, Brian

2003-01-01

During the development of the component-based energy system simulator DNA (Dynamic Network Analysis), several obstacles to easy use of the program have been observed. Some of these have to do with the nature of the program being based on a modelling language, not a graphical user interface (GUI......). Others have to do with the interaction between models of the nature of the substances in an energy system (e.g., fuels, air, flue gas), models of the components in a system (e.g., heat exchangers, turbines, pumps), and the solver for the system of equations. This paper proposes that the interaction...

Dielectric Matrix Formulation of Correlation Energies in the Random Phase Approximation: Inclusion of Exchange Effects.

Science.gov (United States)

Mussard, Bastien; Rocca, Dario; Jansen, Georg; Ángyán, János G

2016-05-10

Starting from the general expression for the ground state correlation energy in the adiabatic-connection fluctuation-dissipation theorem (ACFDT) framework, it is shown that the dielectric matrix formulation, which is usually applied to calculate the direct random phase approximation (dRPA) correlation energy, can be used for alternative RPA expressions including exchange effects. Within this famework, the ACFDT analog of the second order screened exchange (SOSEX) approximation leads to a logarithmic formula for the correlation energy similar to the direct RPA expression. Alternatively, the contribution of the exchange can be included in the kernel used to evaluate the response functions. In this case, the use of an approximate kernel is crucial to simplify the formalism and to obtain a correlation energy in logarithmic form. Technical details of the implementation of these methods are discussed, and it is shown that one can take advantage of density fitting or Cholesky decomposition techniques to improve the computational efficiency; a discussion on the numerical quadrature made on the frequency variable is also provided. A series of test calculations on atomic correlation energies and molecular reaction energies shows that exchange effects are instrumental for improvement over direct RPA results.

Resonance charge exchange mechanism at high and moderate energies

International Nuclear Information System (INIS)

Bogdanov, A.V.; Gevorkyan, A.S.

1984-01-01

Charge exchange mechanisms at high and medium energies are investigated, ta king the resonance charge exchange of a proton by an hydrogen atom as an example . It is established that there are two classical charge exchange mechanisms rel ated to direct proton knockout from the bound state and one quantum-mechanical mechanism corresponding to the electron tunnelling from one bound state to anoth er. The classical cross-section diverges for two of these mechanisms, and the quasiclassical scattering amplitude must be calculated on the base of a complex classical trajectory. Physical grounds for the choice of such trajectories are discussed and calculations of the Van Vleck determinant for these mechanisms a re presented. Contributions from different mechanisms to the total charge excha nge cross-section are analyzed. A comparison with experimental data and results of other authors is made

Quantification of exploitable shallow geothermal energy by using Borehole Heat Exchanger coupled Ground Source Heat Pump systems

International Nuclear Information System (INIS)

Hein, Philipp; Zhu, Ke; Bucher, Anke; Kolditz, Olaf; Pang, Zhonghe; Shao, Haibing

2016-01-01

Highlights: • The amount of technically exploitable shallow geothermal energy was quantified. • Therefore, a comprehensive numerical borehole heat exchanger model was employed. • The concept of equivalent temperature drop is introduced. • For one BHE, an equivalent temperature drop of 1.8–2.8 °C over 30 years is realistic • The average extractable energy amount evaluates to be 3.5–5.4 kW h m"−"2 a"−"1. - Abstract: In previous studies, the amount of exploitable shallow geothermal energy was estimated by assuming a uniform temperature drop of 2–6 °C in the aquifer. In this work, a more comprehensive numerical model has been employed to evaluate the available amount of shallow geothermal energy by using Borehole Heat Exchanger coupled Ground Source Heat Pump systems. Numerical experiments have been performed by simulating the long-term evolution of the subsurface temperature field, which is subject to the operation of borehole heat exchangers and varying parameters like subsurface thermal conductivity and groundwater flow velocity. The concept of equivalent temperature drop is proposed as an auxiliary quantity for the subsurface. With the help of this parameter, a procedure has been established to quantify the amount of shallow geothermal potential. Following this approach, a realistic equivalent temperature reduction is found to be from −1.8 to −4.4 °C in the subsurface over a period of 30 years. This can be translated to an annual extractable geothermal energy value in a unit surface area, and it ranges from 3.5 to 8.6 kW h m"−"2 a"−"1. The exact value is site specific and heavily depends on the soil thermal conductivity, groundwater velocity, and borehole arrangement.

A Range-Based Multivariate Model for Exchange Rate Volatility

OpenAIRE

Tims, Ben; Mahieu, Ronald

2003-01-01

textabstractIn this paper we present a parsimonious multivariate model for exchange rate volatilities based on logarithmic high-low ranges of daily exchange rates. The multivariate stochastic volatility model divides the log range of each exchange rate into two independent latent factors, which are interpreted as the underlying currency specific components. Due to the normality of logarithmic volatilities the model can be estimated conveniently with standard Kalman filter techniques. Our resu...

A phenomenological study of the {pi}{sup -} p {yields} {pi}{sup 0} n charge exchange reaction at high energy; Etude phenomenologique de la reaction d`echange de charge {pi}{sup -} p {yields} {pi}{sup 0} n a haute energie

Energy Technology Data Exchange (ETDEWEB)

Michaud, Y

1995-09-21

The aim of the study was to examine the behaviour of the proton-proton elastic scattering, for mass center energies around 10 GeV, and more especially to study the charge exchange reaction {pi}{sup -} p {yields} {pi}{sup 0} n for mass center energies between 3 and 20 GeV. A formalism based on the Glauber model has been used, and a Regge trajectory exchange term was introduced in the model in order to enable the description of the lower energy domain (inferior to 10 GeV) that is characterized by a large contribution of meson exchanges at the scattering amplitude. The Glauber model is then applied to the charge exchange reaction and the differential cross section is analyzed for a center mass energy comprised between 3 and 20 GeV, together with the polarization at 40 GeV/c. The approach is then validated through the study of the {pi}{sup -} p {yields} {eta} n reaction. The size of the kernel of proton and pion components implied in the {pi}{sup -} p {yields} {pi}{sup 0} n reaction, is also investigated. 90 refs., 48 figs., 4 tabs., 5 appends.

Modelling, simulation and dynamic analysis of the time delay model of the recuperative heat exchanger

Directory of Open Access Journals (Sweden)

Debeljković Dragutin Lj.

2016-01-01

Full Text Available The heat exchangers are frequently used as constructive elements in various plants and their dynamics is very important. Their operation is usually controlled by manipulating inlet fluid temperatures or mass flow rates. On the basis of the accepted and critically clarified assumptions, a linearized mathematical model of the cross-flow heat exchanger has been derived, taking into account the wall dynamics. The model is based on the fundamental law of energy conservation, covers all heat accumulation storages in the process, and leads to the set of partial differential equations (PDE, which solution is not possible in closed form. In order to overcome this problem the approach based on physical discretization was applied with associated time delay on the positions where it was necessary and unavoidable. This is quite new approach, which represent the further extension of previous results which did not include significant time delay existing in the working media. Simulation results, were derived, showing progress in building such a model suitable for further treatment from the position of analysis as well as the needs for control synthesis problem.

A review on the performance and modelling of proton exchange membrane fuel cells

Energy Technology Data Exchange (ETDEWEB)

Boucetta, A., E-mail: abirboucetta@yahoo.fr; Ghodbane, H., E-mail: h.ghodbane@mselab.org; Bahri, M., E-mail: m.bahri@mselab.org [Department of Electrical Engineering, MSE Laboratory, Mohamed khider Biskra University (Algeria); Ayad, M. Y., E-mail: ayadmy@gmail.com [R& D, Industrial Hybrid Vehicle Applications (France)

2016-07-25

Proton Exchange Membrane Fuel Cells (PEMFC), are energy efficient and environmentally friendly alternative to conventional energy conversion for various applications in stationary power plants, portable power device and transportation. PEM fuel cells provide low operating temperature and high-energy efficiency with near zero emission. A PEM fuel cell is a multiple distinct parts device and a series of mass, energy, transport through gas channels, electric current transport through membrane electrode assembly and electrochemical reactions at the triple-phase boundaries. These processes play a decisive role in determining the performance of the Fuel cell, so that studies on the phenomena of gas flows and the performance modelling are made deeply. This paper gives a comprehensive overview of the state of the art on the Study of the phenomena of gas flow and performance modelling of PEMFC.

Application of an excited state LDA exchange energy functional for the calculation of transition energy of atoms within time-independent density functional theory

Energy Technology Data Exchange (ETDEWEB)

Shamim, Md; Harbola, Manoj K, E-mail: sami@iitk.ac.i, E-mail: mkh@iitk.ac.i [Department of Physics, Indian Institute of Technology, Kanpur 208 016 (India)

2010-11-14

Transition energies of a new class of excited states (two-gap systems) of various atoms are calculated in time-independent density functional formalism by using a recently proposed local density approximation exchange energy functional for excited states. It is shown that the excitation energies calculated with this functional compare well with those calculated with exact exchange theories.

Application of an excited state LDA exchange energy functional for the calculation of transition energy of atoms within time-independent density functional theory

International Nuclear Information System (INIS)

Shamim, Md; Harbola, Manoj K

2010-01-01

Transition energies of a new class of excited states (two-gap systems) of various atoms are calculated in time-independent density functional formalism by using a recently proposed local density approximation exchange energy functional for excited states. It is shown that the excitation energies calculated with this functional compare well with those calculated with exact exchange theories.

Exchange-Hole Dipole Dispersion Model for Accurate Energy Ranking in Molecular Crystal Structure Prediction II: Nonplanar Molecules.

Science.gov (United States)

Whittleton, Sarah R; Otero-de-la-Roza, A; Johnson, Erin R

2017-11-14

The crystal structure prediction (CSP) of a given compound from its molecular diagram is a fundamental challenge in computational chemistry with implications in relevant technological fields. A key component of CSP is the method to calculate the lattice energy of a crystal, which allows the ranking of candidate structures. This work is the second part of our investigation to assess the potential of the exchange-hole dipole moment (XDM) dispersion model for crystal structure prediction. In this article, we study the relatively large, nonplanar, mostly flexible molecules in the first five blind tests held by the Cambridge Crystallographic Data Centre. Four of the seven experimental structures are predicted as the energy minimum, and thermal effects are demonstrated to have a large impact on the ranking of at least another compound. As in the first part of this series, delocalization error affects the results for a single crystal (compound X), in this case by detrimentally overstabilizing the π-conjugated conformation of the monomer. Overall, B86bPBE-XDM correctly predicts 16 of the 21 compounds in the five blind tests, a result similar to the one obtained using the best CSP method available to date (dispersion-corrected PW91 by Neumann et al.). Perhaps more importantly, the systems for which B86bPBE-XDM fails to predict the experimental structure as the energy minimum are mostly the same as with Neumann's method, which suggests that similar difficulties (absence of vibrational free energy corrections, delocalization error,...) are not limited to B86bPBE-XDM but affect GGA-based DFT-methods in general. Our work confirms B86bPBE-XDM as an excellent option for crystal energy ranking in CSP and offers a guide to identify crystals (organic salts, conjugated flexible systems) where difficulties may appear.

Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.

Science.gov (United States)

Brandenburg, Jan Gerit; Caldeweyher, Eike; Grimme, Stefan

2016-06-21

We extend the recently introduced PBEh-3c global hybrid density functional [S. Grimme et al., J. Chem. Phys., 2015, 143, 054107] by a screened Fock exchange variant based on the Henderson-Janesko-Scuseria exchange hole model. While the excellent performance of the global hybrid is maintained for small covalently bound molecules, its performance for computed condensed phase mass densities is further improved. Most importantly, a speed up of 30 to 50% can be achieved and especially for small orbital energy gap cases, the method is numerically much more robust. The latter point is important for many applications, e.g., for metal-organic frameworks, organic semiconductors, or protein structures. This enables an accurate density functional based electronic structure calculation of a full DNA helix structure on a single core desktop computer which is presented as an example in addition to comprehensive benchmark results.

Thermodynamic performance analysis and algorithm model of multi-pressure heat recovery steam generators (HRSG) based on heat exchangers layout

International Nuclear Information System (INIS)

Feng, Hongcui; Zhong, Wei; Wu, Yanling; Tong, Shuiguang

2014-01-01

Highlights: • A general model of multi-pressure HRSG based on heat exchangers layout is built. • The minimum temperature difference is introduced to replace pinch point analysis. • Effects of layout on dual pressure HRSG thermodynamic performances are analyzed. - Abstract: Changes of heat exchangers layout in heat recovery steam generator (HRSG) will modify the amount of waste heat recovered from flue gas; this brings forward a desire for the optimization of the design of HRSG. In this paper the model of multi-pressure HRSG is built, and an instance of a dual pressure HRSG under three different layouts of Taihu Boiler Co., Ltd. is discussed, with specified values of inlet temperature, mass flow rate, composition of flue gas and water/steam parameters as temperature, pressure etc., steam mass flow rate and heat efficiency of different heat exchangers layout of HRSG are analyzed. This analysis is based on the laws of thermodynamics and incorporated into the energy balance equations for the heat exchangers. In the conclusion, the results of the steam mass flow rate, heat efficiency obtained for three heat exchangers layout of HRSGs are compared. The results show that the optimization of heat exchangers layout of HRSGs has a great significance for waste heat recovery and energy conservation

Linking pinch analysis and bridge analysis to save energy by heat-exchanger network retrofit

International Nuclear Information System (INIS)

Bonhivers, Jean-Christophe; Moussavi, Alireza; Alva-Argaez, Alberto; Stuart, Paul R.

2016-01-01

Highlights: • The flow rate of cascaded heat in exchangers is presented between composite curves. • Reducing energy consumption implies decreasing the flow rate of cascaded heat. • Removing cross-pinch transfers is not necessary to reduce energy consumption. • Bridge modifications are necessary to reduce energy consumption. • Bridge modifications are evaluated on the Heat Exchanger Load Diagram. - Abstract: Reduction of energy requirements in the process industries results in increased profitability and better environmental performance. Methods for heat exchanger network (HEN) retrofit are based on thermodynamic analysis and insights, numerical optimization, or combined approaches. Numerical optimization-based methods are highly complex and may not guarantee identification of the global optimum. Pinch analysis, which is an approach based on thermodynamic analysis and composite curves, is the most widely used in the industry. Its simplicity, the use of graphical tools, and the possibility for the user to interact at each step of the design process help identify solutions with consideration of practical feasibility. In the last few years, bridge analysis has been developed for HEN retrofit. It includes the following tools: (a) the definition of the necessary conditions to reduce energy consumption which are expressed in the bridge formulation, (b) a method for enumerating the bridges, (c) the representation of the flow rate of cascaded heat through each existing exchanger on the energy transfer diagram (ETD), and (4) the use of the Heat Exchanger Load Diagram (HELD) to identify a suitable HEN configuration corresponding to modifications. It has been shown that reducing energy consumption implies decreasing the flow rate of cascaded heat through the existing exchangers across the entire temperature range between the hot and cold utilities. The ETD shows all possibilities to reduce the flow rate of cascaded heat through a HEN. The objective of this paper is

Nucleon charge-exchange reactions at intermediate energy

Energy Technology Data Exchange (ETDEWEB)

Alford, W.P. [Western Ontario Univ., London, ON (Canada). Dept. of Physics]|[TRIUMF, Vancouver, BC (Canada); Spicer, B.M. [Melbourne Univ., Parkville, VIC (Australia). School of Physics

1997-12-31

An historical review of the development of ideas pertaining to Gamow-Teller giant resonances is given, and a description of the emergence of techniques for the study of charge exchange reactions - particularly the technical advances which yielded the recent volume of new date. The present status of charge exchange reactions is reviewed and assessed. Evidence is presented from the {sup 14}C(p,n) reaction for the dominance of the spin-isospin component of the nucleon-nucleon interaction in intermediate energy reactions. In (p,n) reactions the Gamow-Teller giant resonance dominates the spectra, with higher multipoles contributing. By contrast, in (n,p) reactions in the heavier nuclei, the Gamow-Teller transitions are substantially Pauli-blocked and the spin dipole resonance dominates, with contributions from higher multipoles. Discussions of the multipole decomposition process, used to obtain from the data the contributions of the different multipoles, and the contributions of the multipoles, are given. 226 refs., 19 figs.

Nucleon charge-exchange reactions at intermediate energy

International Nuclear Information System (INIS)

Alford, W.P.; Spicer, B.M.

1997-01-01

An historical review of the development of ideas pertaining to Gamow-Teller giant resonances is given, and a description of the emergence of techniques for the study of charge exchange reactions - particularly the technical advances which yielded the recent volume of new date. The present status of charge exchange reactions is reviewed and assessed. Evidence is presented from the 14 C(p,n) reaction for the dominance of the spin-isospin component of the nucleon-nucleon interaction in intermediate energy reactions. In (p,n) reactions the Gamow-Teller giant resonance dominates the spectra, with higher multipoles contributing. By contrast, in (n,p) reactions in the heavier nuclei, the Gamow-Teller transitions are substantially Pauli-blocked and the spin dipole resonance dominates, with contributions from higher multipoles. Discussions of the multipole decomposition process, used to obtain from the data the contributions of the different multipoles, and the contributions of the multipoles, are given

Sensitivity of molecular vibrational dynamics to energy exchange rate constants

International Nuclear Information System (INIS)

Billing, G D; Coletti, C; Kurnosov, A K; Napartovich, A P

2003-01-01

The sensitivity of molecular vibrational population dynamics, governing the CO laser operated in fundamental and overtone transitions, to vibration-to-vibration rate constants is investigated. With this aim, three rate constant sets have been used, differing in their completeness (i.e. accounting for single-quantum exchange only, or for multi-quantum exchange with a limited number of rate constants obtained by semiclassical calculations, and, finally, with an exhaustive set of rate constants including asymmetric exchange processes, as well) and in the employed interaction potential. The most complete set among these three is introduced in this paper. An existing earlier kinetic model was updated to include the latter new data. Comparison of data produced by kinetic modelling with the above mentioned sets of rate constants shows that the vibrational distribution function, and, in particular, the CO overtone laser characteristics, are very sensitive to the choice of the model. The most complete model predicts slower evolution of the vibrational distribution, in qualitative agreement with experiments

Comparative analysis of different methods in mathematical modelling of the recuperative heat exchangers

International Nuclear Information System (INIS)

Debeljkovic, D.Lj.; Stevic, D.Z.; Simeunovic, G.V.; Misic, M.A.

2015-01-01

The heat exchangers are frequently used as constructive elements in various plants and their dynamics is very important. Their operation is usually controlled by manipulating inlet fluid temperatures or mass flow rates. On the basis of the accepted and critically clarified assumptions, a linearized mathematical model of the cross-flow heat exchanger has been derived, taking into account the wall dynamics. The model is based on the fundamental law of energy conservation, covers all heat accumulation storages in the process, and leads to the set of partial differential equations (PDE), which solution is not possible in closed form. In order to overcome the solutions difficulties in this paper are analyzed different methods for modeling the heat exchanger: approach based on Laplace transformation, approximation of partial differential equations based on finite differences, the method of physical discretization and the transport approach. Specifying the input temperatures and output variables, under the constant initial conditions, the step transient responses have been simulated and presented in graphic form in order to compare these results for the four characteristic methods considered in this paper, and analyze its practical significance. (author)

Calculating constants of the rates of the reactions of excitation, ionization, and atomic exchange: A model of a shock oscillator with a change of the Hamiltonian of the system

Science.gov (United States)

Tsyganov, D. L.

2017-11-01

A new model for calculating the rates of reactions of excitation, ionization, and atomic exchange is proposed. Diatomic molecule AB is an unstructured particle M upon the exchange of elastic-vibrational (VT) energy, i.e., a model of a shock forceful oscillator with a change in Hamiltonian (SFOH). The SFOH model is based on the quantum theory of strong perturbations. The SFOH model allows generalization in simulating the rates of the reactions of excitation, ionization, and atomic exchange in the vibrational-vibrational (VV) energy exchange of diatomic molecules, and the exchange of VV- and VT-energy of polyatomic molecules. The rate constants of the excitation of metastables A 3Σ u +, B 3Π g , W 3Δ u , B'3Σ u -, a'3Σ u -, and the ionization of a nitrogen molecules from ground state X2Σ g + upon a collision with a heavy structureless particle (a nitrogen molecule), are found as examples.

A new graphical method for Pinch Analysis applications: Heat exchanger network retrofit and energy integration

International Nuclear Information System (INIS)

Gadalla, Mamdouh A.

2015-01-01

Energy integration is a key solution in chemical process and crude refining industries to minimise external fuel consumption and to face the impact of growing energy crises. Typical energy integration projects can reach a reduction of heating fuels and cold utilities by up to 40% compared with original designs or existing installations. Pinch Analysis is a leading tool and regarded as an efficient method to increase energy efficiency and minimise fuel flow consumptions. It is valid for both natures of design, grassroots and retrofit situations. It can practically be applied to synthesise a HEN (heat exchanger network) or modify an existing preheat train for minimum energy consumption. Heat recovery systems or HENs are networks for exchanging heat between hot and cold process sources. All heat transferred from hot process sources into cold process sinks represent the scope for energy integration. On the other hand, energies required beyond this integrated amount are to be satisfied by external utilities. Graphical representations of Pinch Analysis, such as Composite and Grand Composite Curves are very useful for grassroots designs. Nevertheless, in retrofit situation the analysis is not adequate and besides it is graphically tedious to represent existing exchangers on such graphs. This research proposes a new graphical method for the analysis of heat recovery systems, applicable to HEN retrofit. The new graphical method is based on plotting temperatures of process hot streams versus temperatures of process cold streams. A new graph is constructed for representing existing HENs. For a given network, each existing exchanger is represented by a straight line, whose slope is proportional to the ratio of heat capacities and flows. Further, the length of each exchanger line is related to the heat flow transferred across this exchanger. This new graphical representation can easily identify exchangers across the pinch, Network Pinch, pinching matches and improper placement

Study of thermal energy storage using fluidized bed heat exchangers

Science.gov (United States)

Weast, T. E.; Shannon, L. J.; Ananth, K. P.

1980-01-01

The technical and economic feasibility of fluid bed heat exchangers (FBHX) for thermal energy storage (TES) in waste heat recovery applications is assessed by analysis of two selected conceptual systems, the rotary cement kiln and the electric arc furnace. It is shown that the inclusion of TES in the energy recovery system requires that the difference in off-peak and on-peak energy rates be large enough so that the value of the recovered energy exceeds the value of the stored energy by a wide enough margin to offset parasitic power and thermal losses. Escalation of on-peak energy rates due to fuel shortages could make the FBHX/TES applications economically attractive in the future.

A Model for Trading the Foreign Exchange Market

African Journals Online (AJOL)

PROF. OLIVER OSUAGWA

inflation rates, etc. have significant impacts on the exchange rate fluctuation. Existing foreign exchange ... Keywords: FOREX, marcov chain, model, neural network, trading robot. Introduction .... Support Vector Machine (SVM). Regression ...

Modelling non-linear effects of dark energy

Science.gov (United States)

Bose, Benjamin; Baldi, Marco; Pourtsidou, Alkistis

2018-04-01

We investigate the capabilities of perturbation theory in capturing non-linear effects of dark energy. We test constant and evolving w models, as well as models involving momentum exchange between dark energy and dark matter. Specifically, we compare perturbative predictions at 1-loop level against N-body results for four non-standard equations of state as well as varying degrees of momentum exchange between dark energy and dark matter. The interaction is modelled phenomenologically using a time dependent drag term in the Euler equation. We make comparisons at the level of the matter power spectrum and the redshift space monopole and quadrupole. The multipoles are modelled using the Taruya, Nishimichi and Saito (TNS) redshift space spectrum. We find perturbation theory does very well in capturing non-linear effects coming from dark sector interaction. We isolate and quantify the 1-loop contribution coming from the interaction and from the non-standard equation of state. We find the interaction parameter ξ amplifies scale dependent signatures in the range of scales considered. Non-standard equations of state also give scale dependent signatures within this same regime. In redshift space the match with N-body is improved at smaller scales by the addition of the TNS free parameter σv. To quantify the importance of modelling the interaction, we create mock data sets for varying values of ξ using perturbation theory. This data is given errors typical of Stage IV surveys. We then perform a likelihood analysis using the first two multipoles on these sets and a ξ=0 modelling, ignoring the interaction. We find the fiducial growth parameter f is generally recovered even for very large values of ξ both at z=0.5 and z=1. The ξ=0 modelling is most biased in its estimation of f for the phantom w=‑1.1 case.

Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

Science.gov (United States)

Tao, Jianmin; Ye, Lin-Hui; Duan, Yuhua

2017-12-01

The primary goal of Kohn-Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao-Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew-Burke-Ernzerhof (PBE), Tao-Perdew-Staroverov-Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree-Fock density yields the exchange and correlation energies in good agreement with the Optimized Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Finally, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.

Critical validity assessment of theoretical models: charge-exchange at intermediate and high energies

Science.gov (United States)

Belkić, Dževad

1999-06-01

Exact comprehensive computations are carried out by means of four leading second-order approximations yielding differential cross sections dQ/ dΩ for the basic charge exchange process H ++H(1s)→H(1s)+H + at intermediate and high energies. The obtained extensive set of results is thoroughly tested against all the existing experimental data with the purpose of critically assessing the validity of the boundary corrected second-Born (CB2), continuum-distorted wave (CDW), impulse approximation (IA) and the reformulated impulse approximation (RIA). The conclusion which emerges from this comparative study clearly indicates that the RIA agrees most favorably with the measurements available over a large energy range 25 keV-5 MeV. Such a finding reaffirms the few-particle quantum scattering theory which imposes several strict conditions on adequate second-order methods. These requirements satisfied by the RIA are: (i) normalisations of all the scattering wave functions, (ii) correct boundary conditions in both entrance and exit channels, (iii) introduction of a mathematically justified two-center continuum state for the sum of an attractive and a repulsive Coulomb potential with the same interaction strength, (iv) inclusion of the multiple scattering effects neglected in the IA, (v) a proper description of the Thomas double scattering in good agreement with the experiments and without any unobserved peak splittings. Nevertheless, the performed comparative analysis of the above four approximations indicates that none of the methods is free from some basic shortcomings. Despite its success, the RIA remains essentially a high-energy model like the other three methods under study. More importantly, their perturbative character leaves virtually no room for further systematic improvements, since the neglected higher-order terms are prohibitively tedious for practical purposes and have never been computed exactly. To bridge this gap, we presently introduce the variational Pad

Critical validity assessment of theoretical models: charge-exchange at intermediate and high energies

International Nuclear Information System (INIS)

Belkic, Dzevad

1999-01-01

Exact comprehensive computations are carried out by means of four leading second-order approximations yielding differential cross sections dQ/dΩ for the basic charge exchange process H + +H(1s)→H(1s)+H + at intermediate and high energies. The obtained extensive set of results is thoroughly tested against all the existing experimental data with the purpose of critically assessing the validity of the boundary corrected second-Born (CB2), continuum-distorted wave (CDW), impulse approximation (IA) and the reformulated impulse approximation (RIA). The conclusion which emerges from this comparative study clearly indicates that the RIA agrees most favorably with the measurements available over a large energy range 25 keV-5 MeV. Such a finding reaffirms the few-particle quantum scattering theory which imposes several strict conditions on adequate second-order methods. These requirements satisfied by the RIA are: (i) normalisations of all the scattering wave functions, (ii) correct boundary conditions in both entrance and exit channels, (iii) introduction of a mathematically justified two-center continuum state for the sum of an attractive and a repulsive Coulomb potential with the same interaction strength, (iv) inclusion of the multiple scattering effects neglected in the IA, (v) a proper description of the Thomas double scattering in good agreement with the experiments and without any unobserved peak splittings. Nevertheless, the performed comparative analysis of the above four approximations indicates that none of the methods is free from some basic shortcomings. Despite its success, the RIA remains essentially a high-energy model like the other three methods under study. More importantly, their perturbative character leaves virtually no room for further systematic improvements, since the neglected higher-order terms are prohibitively tedious for practical purposes and have never been computed exactly. To bridge this gap, we presently introduce the variational Pade

Measuring and modeling changes in land-atmosphere exchanges and hydrologic response in forests undergoing insect-driven mortality

Science.gov (United States)

Gochis, D. J.; Brooks, P. D.; Harpold, A. A.; Ewers, B. E.; Pendall, E.; Barnard, H. R.; Reed, D.; Harley, P. C.; Hu, J.; Biederman, J.

2010-12-01

Given the magnitude and spatial extent of recent forest mortality in the western U.S. there is a pressing need to improve representation of such influences on the exchange of energy, water, biogeochemical and momentum fluxes in land-atmosphere parameterizations coupled to weather and climate models. In this talk we present observational data and model results from a new study aimed at improving understanding the impacts of mountain pine beetle-induced forest mortality in the central Rocky Mountains. Baseline observations and model runs from undisturbed lodgepole pine forest conditions are developed as references against which new observations and model runs from infested stands are compared. We will specifically look at the structure and evolution of sub-canopy energy exchange variables such as shortwave and longwave radiation and sub-canopy turbulence as well as sub-canopy precipitation, sapflow fluxes, canopy-scale fluxes and soil moisture and temperature. In this manner we seek to lay the ground work for evaluating the recent generation of land surface model changes aimed at representing insect-related forest dynamics in the CLM-C/N and Noah land surface models.

Exchange functional by a range-separated exchange hole

International Nuclear Information System (INIS)

Toyoda, Masayuki; Ozaki, Taisuke

2011-01-01

An approximation to the exchange-hole density is proposed for the evaluation of the exact exchange energy in electronic structure calculations within the density-functional theory and the Kohn-Sham scheme. Based on the localized nature of density matrix, the exchange hole is divided into the short-range (SR) and long-range (LR) parts by using an adequate filter function, where the LR part is deduced by matching of moments with the exactly calculated SR counterpart, ensuring the correct asymptotic -1/r behavior of the exchange potential. With this division, the time-consuming integration is truncated at a certain interaction range, largely reducing the computation cost. The total energies, exchange energies, exchange potentials, and eigenvalues of the highest-occupied orbitals are calculated for the noble-gas atoms. The close agreement of the results with the exact values suggests the validity of the approximation.

Numerical Simulation of Different Models of Heat Pipe Heat Exchanger Using AcuSolve

Directory of Open Access Journals (Sweden)

Zainal Nurul Amira

2017-01-01

Full Text Available In this paper, a numerical simulation of heat pipe heat exchanger (HPHE is computed by using CFD solver program i.e. AcuSolve. Two idealized model of HPHE are created with different variant of entry’s dimension set to be case 1 and case 2. The geometry of HPHE is designed in SolidWorks and imported to AcuSolve to simulate the fluid flow numerically. The design of HPHE is the key to provide a heat exchanger system to work proficient as expected. Finally, the result is used to optimize and improving heat recovery systems of the increasing demand for energy efficiency in industry.

Energy performance and thermal impact of a Borehole Heat Exchanger in a sandy aquifer: Influence of the groundwater velocity

International Nuclear Information System (INIS)

Angelotti, A.; Alberti, L.; La Licata, I.; Antelmi, M.

2014-01-01

Highlights: • A numerical model of a Borehole Heat Exchanger with groundwater flow is created. • The model is carefully validated against analytical solutions. • The mutual influence of the BHE heat rate and the ground temperature field is shown. • For 10 −1 ⩽ Pe ⩽ 1 the heat rate increase with respect to null velocity is 11–105%. • Large groundwater velocities reduce the benefits of operating in both seasons. - Abstract: In a saturated soil, the groundwater flow affects both the energy performance and the thermal impact on the surrounding soil of Borehole Heat Exchangers linked to Ground-Source Heat Pumps. In this paper a numerical model in MODFLOW/MT3DMS of a single U-pipe in a sandy aquifer is proposed in order to investigate the two issues in a coupled approach. After validating the model, the typical yearly operation of a Borehole Heat Exchanger extracting and injecting heat into the ground is simulated. For 0.1 ⩽ Pe ⩽ 1 cold and warm plumes develop and the heat rate increases non linearly from 11% to 105%

Model Adoption Exchange Payment System: Executive Summary.

Science.gov (United States)

Ambrosino, Robert J.

This executive summary provides a brief description of the Model Adoption Exchange Payment System (MAEPS), a unique payment system aimed at improving the delivery of adoption exchange services throughout the United States. Following a brief introductory overview, MAEPS is described in terms of (1) its six components (registration, listing,…

The influence of zinc(II) on thioredoxin/glutathione disulfide exchange: QM/MM studies to explore how zinc(II) accelerates exchange in higher dielectric environments.

Science.gov (United States)

Kurian, Roby; Bruce, Mitchell R M; Bruce, Alice E; Amar, François G

2015-08-01

QM/MM studies were performed to explore the energetics of exchange reactions of glutathione disulfide (GSSG) and the active site of thioredoxin [Cys32-Gly33-Pro34-Cys35] with and without zinc(II), in vacuum and solvated models. The activation energy for exchange, in the absence of zinc, is 29.7 kcal mol(-1) for the solvated model. This is 3.3 kcal mol(-1) higher than the activation energy for exchange in the gas phase, due to ground state stabilization of the active site Cys-32 thiolate in a polar environment. In the presence of zinc, the activation energy for exchange is 4.9 kcal mol(-1) lower than in the absence of zinc (solvated models). The decrease in activation energy is attributed to stabilization of the charge-separated transition state, which has a 4-centered, cyclic arrangement of Zn-S-S-S with an estimated dipole moment of 4.2 D. A difference of 4.9 kcal mol(-1) in activation energy would translate to an increase in rate by a factor of about 4000 for zinc-assisted thiol-disulfide exchange. The calculations are consistent with previously reported experimental results, which indicate that metal-thiolate, disulfide exchange rates increase as a function of solvent dielectric. This trend is opposite to that observed for the influence of the dielectric environment on the rate of thiol-disulfide exchange in the absence of metal. The results suggest a dynamic role for zinc in thiol-disulfide exchange reactions, involving accessible cysteine sites on proteins, which may contribute to redox regulation and mechanistic pathways during oxidative stress.

Exchange currents in low-energy nucleon capture by 3He

International Nuclear Information System (INIS)

Wervelman, Rob.

1991-01-01

The studies described in this thesis concern absolute cross-section measurements of the radiative neutron capture reactions 3 He (n,γ) 4 He and 3 He(n,γγ) 4 He, and are complements with shell-model calculations on the radiative thermal neutron capture reaction by 3 He and on the weak 3 He(p,e + ν e ) 4 He reaction. The experiments have been performed at two neutron energies, with sub-thermal neutrons where s-wave capture is dominant, and with a quasi-monochromatic 24.5 keV neutron beam (p-wave capture). It has been found that the thermal neutron capture cross section of 3 He is 55±3 μb. Measured at 24.5 keV-neutron energy, the radiative capture cross section for p-wave neutrons turned out to be 9.1±0.8 μb. A measurement on the double-photon reaction 3 He(n th ,γγ) has yielded a cross-section value of 30±80 μb. In the theoretical part of the work a standard model of nuclear weak and electromagnetic interaction currents, consisting of a one-body impulse approximation and a two-body meson-exchange current part, has been applied to the process of nucleon capture by 3 He. Within the framework of a (0+2) (h/2π)ω shell-model calculation, using Sussex matrix elements for the 3 He and 4 He ground state wave functions, the empirical radiative cross sections for thermal neutrons of 3 He could be reproduced with satisfactory agreement. The total MEC correction to the radiative thermal neutron capture cross section is rather small because large cancellations occur between the various contributions. In the 3 He(p,e + ν e ) 4 He reaction meson-exchange contributions enlarge the astrophysical S-factor by more than a factor two. The matrix element ratio of the weak 3 He+p and the electromagnetic 3 He+n reaction is calculated to be (4.3±0.6)g A C 0 . This ratio has been found to be fairly insensitive to the percentage D-state admixtures in the 3 He and 4 He ground state wave functions. (author). 129 refs.; 24 figs.; 5 tabs

Performance analysis of short helical borehole heat exchangers via integrated modelling of a borefield and a heat pump: A case study

International Nuclear Information System (INIS)

Zarrella, Angelo; Capozza, Antonio; De Carli, Michele

2013-01-01

This paper presents a new simulation tool package that calculates the energy efficiency of an entire Ground Source Heat Pump (GSHP) system. The package consists of two detailed models of borehole heat exchangers and heat pump equipment coupled in a single well-integrated calculation tool. It was used to analyze two types of ground heat exchangers in the same operating conditions for two Italian climates. Research focused on comparing a short helical-shaped pipe configuration with the more widespread and longer double U-tube. Analysis was carried out at the same energy exchange rate with the ground and addressed the difference in total borehole depth. The package also took into account the effects of the weather on the heat transfer between the heat exchanger and the surrounding ground. Analysis found that a much shorter total borehole depth was needed for the helical-shaped pipe, which consequently reduces installation costs. Therefore, this configuration may be a suitable alternative to conventional U-shaped tubes, especially for new residential housing with low energy loads and where deep probe drilling is not possible. Finally, this paper also investigates the influence of the axial effects in the ground on the seasonal energy efficiency of the whole system. -- Highlights: • A new model to evaluate the efficiency of the whole GSHP system is presented. • The model considers the interaction between the ground and the environment. • Two types of vertical ground heat exchangers are analyzed: helix and 2U-tube. • They are analyzed in the same operating conditions for two Italian climates. • With helical shaped pipe a shorter total borehole depth is required

Numerical calibration and experimental validation of a PCM-Air heat exchanger model

International Nuclear Information System (INIS)

Stathopoulos, N.; El Mankibi, M.; Santamouris, Mattheos

2017-01-01

Highlights: • Development of a PCM-Air heat exchanger experimental unit and its numerical model. • Differential Scanning Calorimetry for PCM properties. • Ineptitude of DSC obtained heat capacity curves. • Creation of adequate heat capacity curves depending on heat transfer rates. • Confrontation of numerical and experimental results and validation of the model. - Abstract: Ambitious goals have been set at international, European and French level for energy consumption and greenhouse gas emissions decrease of the building sector. Achieving them requires renewable energy integration, a technology that presents however an important drawback: intermittent energy production. In response, thermal energy storage (TES) technology applications have been developed in order to correlate energy production and consumption of the building. Phase Change Materials (PCMs) have been widely used in TES applications as they offer a high storage density and adequate phase change temperature range. It is important to accurately know the thermophysical properties of the PCM, both for experimental (system design) and numerical (correct prediction) purposes. In this paper, the fabrication of a PCM – Air experimental prototype is presented at first, along with the development of a numerical model simulating the downstream temperature evolution of the heat exchanger. Particular focus is given to the calibration method and the validation of the model using experimental characterization results. Differential scanning calorimetry (DSC) is used to define the thermal properties of the PCM. Initial numerical results are underestimated compared to experimental ones. Various factors were investigated, pointing to the ineptitude of the heat capacity parameter, as DSC results depend on heating/cooling rates. Adequate heat capacity curves were empirically determined, depending on heat transfer rates and based on DSC results and experimental observations. The results of the proposed model

Nucleon exchange and excitation energy division in damped collisions

International Nuclear Information System (INIS)

Viola, V.E.; Planeta, R.; Kwiatkowski, K.; Zhou, S.H.; Breuer, H.

1989-01-01

In this paper we will examine both the dependence of nucleon exchange on target-projectile properties and the question of temperature equilibration and heat partition during scission. Primary emphasis will be placed on the results of a recent study of the 74 Ge + 165 Ho system, which allows us to address these two questions simultaneously. The results can thus be directly compared with the predictions of the nucleon-exchange model. (author)

Modelling and validation of Proton exchange membrane fuel cell (PEMFC)

Science.gov (United States)

Mohiuddin, A. K. M.; Basran, N.; Khan, A. A.

2018-01-01

This paper is the outcome of a small scale fuel cell project. Fuel cell is an electrochemical device that converts energy from chemical reaction to electrical work. Proton Exchange Membrane Fuel Cell (PEMFC) is one of the different types of fuel cell, which is more efficient, having low operational temperature and fast start up capability results in high energy density. In this study, a mathematical model of 1.2 W PEMFC is developed and simulated using MATLAB software. This model describes the PEMFC behaviour under steady-state condition. This mathematical modeling of PEMFC determines the polarization curve, power generated, and the efficiency of the fuel cell. Simulation results were validated by comparing with experimental results obtained from the test of a single PEMFC with a 3 V motor. The performance of experimental PEMFC is little lower compared to simulated PEMFC, however both results were found in good agreement. Experiments on hydrogen flow rate also been conducted to obtain the amount of hydrogen consumed to produce electrical work on PEMFC.

RKKY coupling in the gadolinium with shielded exchange interaction

International Nuclear Information System (INIS)

Aveline, A.

1973-01-01

The model of magnetic interation by indirect exchange mechanism (RKKY) is studied. The shielding effect is estimated and exchange integral J(K vector, K' vector) and magnetic interaction energy Jmn(r) analysis is made. The magnetic interaction energy is determinated in two approximations and compared to the Ruderman-Kittel formula. The free electrons model, to conduction electrons, and 4f wave functions, to localized electrons were utilized [pt

Modeling Philippine Stock Exchange Composite Index Using Time Series Analysis

Science.gov (United States)

Gayo, W. S.; Urrutia, J. D.; Temple, J. M. F.; Sandoval, J. R. D.; Sanglay, J. E. A.

2015-06-01

This study was conducted to develop a time series model of the Philippine Stock Exchange Composite Index and its volatility using the finite mixture of ARIMA model with conditional variance equations such as ARCH, GARCH, EG ARCH, TARCH and PARCH models. Also, the study aimed to find out the reason behind the behaviorof PSEi, that is, which of the economic variables - Consumer Price Index, crude oil price, foreign exchange rate, gold price, interest rate, money supply, price-earnings ratio, Producers’ Price Index and terms of trade - can be used in projecting future values of PSEi and this was examined using Granger Causality Test. The findings showed that the best time series model for Philippine Stock Exchange Composite index is ARIMA(1,1,5) - ARCH(1). Also, Consumer Price Index, crude oil price and foreign exchange rate are factors concluded to Granger cause Philippine Stock Exchange Composite Index.

EXCHANGE-RATES FORECASTING: EXPONENTIAL SMOOTHING TECHNIQUES AND ARIMA MODELS

Directory of Open Access Journals (Sweden)

Dezsi Eva

2011-07-01

Full Text Available Exchange rates forecasting is, and has been a challenging task in finance. Statistical and econometrical models are widely used in analysis and forecasting of foreign exchange rates. This paper investigates the behavior of daily exchange rates of the Romanian Leu against the Euro, United States Dollar, British Pound, Japanese Yen, Chinese Renminbi and the Russian Ruble. Smoothing techniques are generated and compared with each other. These models include the Simple Exponential Smoothing technique, as the Double Exponential Smoothing technique, the Simple Holt-Winters, the Additive Holt-Winters, namely the Autoregressive Integrated Moving Average model.

Experimental study of energy exchanges between two coupled granular gases

OpenAIRE

Chastaing , J.-Y; Géminard , J.-C; Naert , A

2016-01-01

International audience; We report on the energy exchanges between two granular gases of different densities coupled electrome-chanically by immersed blades attached to dc motors. Zeroing the energy flux between the two subsystems, we demonstrate that an immersed blade is a convenient way to assess the properties of the granular gases, provided that the dissipation in the motor is properly taken into account. In addition, when the two gases have different densities, the fluctuations of the ene...

Martingale Regressions for a Continuous Time Model of Exchange Rates

OpenAIRE

Guo, Zi-Yi

2017-01-01

One of the daunting problems in international finance is the weak explanatory power of existing theories of the nominal exchange rates, the so-called “foreign exchange rate determination puzzle”. We propose a continuous-time model to study the impact of order flow on foreign exchange rates. The model is estimated by a newly developed econometric tool based on a time-change sampling from calendar to volatility time. The estimation results indicate that the effect of order flow on exchange rate...

Exchange interaction in the heavy rare-earth metals calculated from energy bands

International Nuclear Information System (INIS)

Lindgard, P.A.; Liu, S.H.

1973-01-01

The exchange interaction in the ordered phases was calculated and found to be significantly influenced by the magnetic perturbation of the conduction electron states. The exchange interaction is intrinsically temperature dependent and is anisotropic. The effect explains how it is possible to have a spiral phase of Tb, although spin wave measurements show no maximum in J/sub q/ for q not equal to 0. The energy difference between the ferromagnetic and spiral phases is of correct order of magnitude to be counterbalanced by the magnetoelastic energy. The wave vector dependent matrix element is found to be similar for Gd, Tb, Dy, and Er with a narrow central conduction electron contribution and a flat region. (U.S.)

Universal model for water costs of gas exchange by animals and plants.

Science.gov (United States)

Woods, H Arthur; Smith, Jennifer N

2010-05-04

For terrestrial animals and plants, a fundamental cost of living is water vapor lost to the atmosphere during exchange of metabolic gases. Here, by bringing together previously developed models for specific taxa, we integrate properties common to all terrestrial gas exchangers into a universal model of water loss. The model predicts that water loss scales to gas exchange with an exponent of 1 and that the amount of water lost per unit of gas exchanged depends on several factors: the surface temperature of the respiratory system near the outside of the organism, the gas consumed (oxygen or carbon dioxide), the steepness of the gradients for gas and vapor, and the transport mode (convective or diffusive). Model predictions were largely confirmed by data on 202 species in five taxa--insects, birds, bird eggs, mammals, and plants--spanning nine orders of magnitude in rate of gas exchange. Discrepancies between model predictions and data seemed to arise from biologically interesting violations of model assumptions, which emphasizes how poorly we understand gas exchange in some taxa. The universal model provides a unified conceptual framework for analyzing exchange-associated water losses across taxa with radically different metabolic and exchange systems.

Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?

Science.gov (United States)

Nemykin, Victor N; Hadt, Ryan G; Belosludov, Rodion V; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

2007-12-20

A time-dependent density functional theory (TDDFT) approach coupled with 14 different exchange-correlation functionals was used for the prediction of vertical excitation energies in zinc phthalocyanine (PcZn). In general, the TDDFT approach provides a more accurate description of both visible and ultraviolet regions of the UV-vis and magnetic circular dichroism (MCD) spectra of PcZn in comparison to the more popular semiempirical ZINDO/S and PM3 methods. It was found that the calculated vertical excitation energies of PcZn correlate with the amount of Hartree-Fock exchange involved in the exchange-correlation functional. The correlation was explained on the basis of the calculated difference in energy between occupied and unoccupied molecular orbitals. The influence of PcZn geometry, optimized using different exchange-correlation functionals, on the calculated vertical excitation energies in PcZn was found to be relatively small. The influence of solvents on the calculated vertical excitation energies in PcZn was considered for the first time using a polarized continuum model TDDFT (PCM-TDDFT) method and was found to be relatively small in excellent agreement with the experimental data. For all tested TDDFT and PCM-TDDFT cases, an assignment of the Q-band as an almost pure a1u (HOMO)-->eg (LUMO) transition, initially suggested by Gouterman, was confirmed. Pure exchange-correlation functionals indicate the presence of six 1Eu states in the B-band region of the UV-vis spectrum of PcZn, while hybrid exchange-correlation functionals predict only five 1Eu states for the same energy envelope. The first two symmetry-forbidden n-->pi* transitions were predicted in the Q0-2 region and in the low-energy tail of the B-band, while the first two symmetry-allowed n-->pi* transitions were found within the B-band energy envelope when pure exchange-correlation functionals were used for TDDFT calculations. The presence of a symmetry-forbidden but vibronically allowed n

Exchange-Correlation Effects for Noncovalent Interactions in Density Functional Theory.

Science.gov (United States)

Otero-de-la-Roza, A; DiLabio, Gino A; Johnson, Erin R

2016-07-12

In this article, we develop an understanding of how errors from exchange-correlation functionals affect the modeling of noncovalent interactions in dispersion-corrected density-functional theory. Computed CCSD(T) reference binding energies for a collection of small-molecule clusters are decomposed via a molecular many-body expansion and are used to benchmark density-functional approximations, including the effect of semilocal approximation, exact-exchange admixture, and range separation. Three sources of error are identified. Repulsion error arises from the choice of semilocal functional approximation. This error affects intermolecular repulsions and is present in all n-body exchange-repulsion energies with a sign that alternates with the order n of the interaction. Delocalization error is independent of the choice of semilocal functional but does depend on the exact exchange fraction. Delocalization error misrepresents the induction energies, leading to overbinding in all induction n-body terms, and underestimates the electrostatic contribution to the 2-body energies. Deformation error affects only monomer relaxation (deformation) energies and behaves similarly to bond-dissociation energy errors. Delocalization and deformation errors affect systems with significant intermolecular orbital interactions (e.g., hydrogen- and halogen-bonded systems), whereas repulsion error is ubiquitous. Many-body errors from the underlying exchange-correlation functional greatly exceed in general the magnitude of the many-body dispersion energy term. A functional built to accurately model noncovalent interactions must contain a dispersion correction, semilocal exchange, and correlation components that minimize the repulsion error independently and must also incorporate exact exchange in such a way that delocalization error is absent.

Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory.

Science.gov (United States)

Vikramaditya, Talapunur; Lin, Shiang-Tai

2017-06-05

Accurate determination of ionization potentials (IPs), electron affinities (EAs), fundamental gaps (FGs), and HOMO, LUMO energy levels of organic molecules play an important role in modeling and predicting the efficiencies of organic photovoltaics, OLEDs etc. In this work, we investigate the effects of Hartree Fock (HF) Exchange, correlation energy, and long range corrections in predicting IP and EA in Hybrid Functionals. We observe increase in percentage of HF exchange results in increase of IPs and decrease in EAs. Contrary to the general expectations inclusion of both HF exchange and correlation energy (from the second order perturbation theory MP2) leads to poor prediction. Range separated Hybrid Functionals are found to be more reliable among various DFT Functionals investigated. DFT Functionals predict accurate IPs whereas post HF methods predict accurate EAs. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Hierarchic modeling of heat exchanger thermal hydraulics

International Nuclear Information System (INIS)

Horvat, A.; Koncar, B.

2002-01-01

Volume Averaging Technique (VAT) is employed in order to model the heat exchanger cross-flow as a porous media flow. As the averaging of the transport equations lead to a closure problem, separate relations are introduced to model interphase momentum and heat transfer between fluid flow and the solid structure. The hierarchic modeling is used to calculate the local drag coefficient C d as a function of Reynolds number Re h . For that purpose a separate model of REV is built and DNS of flow through REV is performed. The local values of heat transfer coefficient h are obtained from available literature. The geometry of the simulation domain and boundary conditions follow the geometry of the experimental test section used at U.C.L.A. The calculated temperature fields reveal that the geometry with denser pin-fins arrangement (HX1) heats fluid flow faster. The temperature field in the HX2 exhibits the formation of thermal boundary layer between pin-fins, which has a significant role in overall thermal performance of the heat exchanger. Although presented discrepancies of the whole-section drag coefficient C d are large, we believe that hierarchic modeling is an appropriate strategy for calculation of complex transport phenomena in heat exchanger geometries.(author)

Modeling of the Bosphorus exchange flow dynamics

Science.gov (United States)

Sözer, Adil; Özsoy, Emin

2017-04-01

The fundamental hydrodynamic behavior of the Bosphorus Strait is investigated through a numerical modeling study using alternative configurations of idealized or realistic geometry. Strait geometry and basin stratification conditions allow for hydraulic controls and are ideally suited to support the maximal-exchange regime, which determines the rate of exchange of waters originating from the adjacent Black and Mediterranean Seas for a given net transport. Steady-state hydraulic controls are demonstrated by densimetric Froude number calculations under layered flow approximations when corrections are applied to account for high velocity shears typically observed in the Bosphorus. Analyses of the model results reveal many observed features of the strait, including critical transitions at hydraulic controls and dissipation by turbulence and hydraulic jumps. It is found that the solution depends on initialization, especially with respect to the basin initial conditions. Significant differences between the controlled maximal-exchange and drowned solutions suggest that a detailed modeling implementation involving coupling with adjacent basins needs to take full account of the Bosphorus Strait in terms of the physical processes to be resolved.

Mathematical model development of heat and mass exchange processes in the outdoor swimming pool

OpenAIRE

M. V. Shaptala; D. E. Shaptala

2014-01-01

Purpose. Currently exploitation of outdoor swimming pools is often not cost-effective and, despite of their relevance, such pools are closed in large quantities. At this time there is no the whole mathematical model which would allow assessing qualitatively the effect of energy-saving measures. The aim of this work is to develop a mathematical model of heat and mass exchange processes for calculating basic heat and mass losses that occur during its exploitation. Methodology. The m...

Simplified models of the symmetric single-pass parallel-plate counterflow heat exchanger: a tutorial

Science.gov (United States)

Pickard, William F.; Abraham-Shrauner, Barbara

2018-03-01

The heat exchanger is important in practical thermal processes, especially those of (i) the molten-salt storage schemes, (ii) compressed air energy storage schemes and (iii) other load-shifting thermal storage presumed to undergird a Smart Grid. Such devices, although central to the utilization of energy from sustainable (but intermittent) renewable sources, will be unfamiliar to many scientists, who nevertheless need a working knowledge of them. This tutorial paper provides a largely self-contained conceptual introduction for such persons. It begins by modelling a novel quantized exchanger,1 impractical as a device, but useful for comprehending the underlying thermophysics. It then reviews the one-dimensional steady-state idealization which demonstrates that effectiveness of heat transfer increases monotonically with (device length)/(device throughput). Next, it presents a two-dimensional steady-state idealization for plug flow and from it derives a novel formula for effectiveness of transfer; this formula is then shown to agree well with a finite-difference time-domain solution of the two-dimensional idealization under Hagen-Poiseuille flow. These results are consistent with a conclusion that effectiveness of heat exchange can approach unity, but may involve unwelcome trade-offs among device cost, size and throughput.

Conference on new consumption and commercialization models for photovoltaic energy

International Nuclear Information System (INIS)

Freier, Karin; Fontaine, Pierre; Mayer, Joerg; Jimenez, Julien; Richard, Pascal; Vogtmann, Michael; Schaefer, Felix; Martin, Nicolas; Buis, Sabine

2014-01-01

The French-German office for Renewable energies (OFAEnR) organised a conference on new consumption and commercialization models for photovoltaic energy. In the framework of this French-German exchange of experience, about 120 participants exchanged views on the new economic models for solar energy producers while the photovoltaic industry has to face a progressive reduction of feed-in tariffs and of other incentive mechanisms. Beside the legal and economic aspects, technical questions around energy storage and integration of photovoltaic production to the grid were also addressed. This document brings together the available presentations (slides) made during this event: 1 - Stimulating self-consumption and direct selling within the EEG (Karin Freier); 2 - Development of PV self-consumption in France (Pierre Fontaine); 3 - experience from applying the new support program for solar energy storage systems (Joerg Mayer); 4 - Call for solar photovoltaic projects for own consumption in Aquitaine region (Julien Jimenez); 5 - SMA Flexible Storage System - New version of the Sunny Island inverter for smart photovoltaic energy storage (Pascal Richard); 6 - PV Own Consumption in industry and commerce - examples und Operating Concepts (Michael Vogtmann); 7 - Supplying tenants in multiple-family housing with solar power in the 'Neue Heimat' project (Felix Schaefer); 8 - How to manage PV-storage self-consumption from a grid point of view? (Nicolas Martin); 9 - Closing talk (Sabine Buis)

Energy exchange dynamics across L-H transitions in NSTX

Science.gov (United States)

Diallo, A.; Banerjee, S.; Zweben, S. J.; Stoltzfus-Dueck, T.

2017-06-01

We studied the energy exchange dynamics across the low-to-high-confinement (L-H) transition in NSTX discharges using the gas-puff imaging (GPI) diagnostic. The investigation focused on the energy exchange between flows and turbulence to help clarify the mechanism of the L-H transition. We applied this study to three types of heating schemes, including a total of 17 shots from the NSTX 2010 campaign run. Results show that the edge fluctuation characteristics (fluctuation levels, radial and poloidal correlation lengths) measured using GPI do not vary just prior to the H-mode transition, but change after the transition. Using a velocimetry approach (orthogonal-dynamics programming), velocity fields of a 24× 30 cm GPI view during the L-H transition were obtained with good spatial (˜1 cm) and temporal (˜2.5 μs) resolutions. Analysis using these velocity fields shows that the production term is systematically negative just prior to the L-H transition, indicating a transfer from mean flows to turbulence, which is inconsistent with the predator-prey paradigm. Moreover, the inferred absolute value of the production term is two orders of magnitude too small to explain the observed rapid L-H transition. These discrepancies are further reinforced by consideration of the ratio between the kinetic energy in the mean flow to the thermal free energy, which is estimated to be much less than 1, suggesting again that the turbulence depletion mechanism may not play an important role in the transition to the H-mode. Although the Reynolds work therefore appears to be too small to directly deplete the turbulent free energy reservoir, order-of-magnitude analysis shows that the Reynolds stress may still make a non-negligible contribution to the observed poloidal flows.

Optimal model of radiocarbon residence time in exchange reservoir

International Nuclear Information System (INIS)

Dergachev, V.A.

1977-01-01

Radiocarbon content variations in the earth atmosphere were studied using a mathematical model. The so-called exchange reservoir was considered consisting of layers, and the radiocarbon exchange rate at the interfaces between these layers was supposed to be constant. The process of 14 C mixing and exchange in a dynamic system is described by a system of nonhomogeneous 1st order differential equations. The model also accounts for the change in rate of radiocarbon formation in the earth atmosphere due to cosmic and geophysical effects (solar activity, solar cycle, etc.). (J.P.)

Modelling Exchange Rate Volatility by Macroeconomic Fundamentals in Pakistan

OpenAIRE

Munazza Jabeen; Saud Ahmad Khan

2014-01-01

What drives volatility in foreign exchange market in Pakistan? This paper undertakes an analysis of modelling exchange rate volatility in Pakistan by potential macroeconomic fundamentals well-known in the economic literature. For this, monthly data on Pak Rupee exchange rates in the terms of major currencies (US Dollar, British Pound, Canadian Dollar and Japanese Yen) and macroeconomics fundamentals is taken from April, 1982 to November, 2011. The results show thatthe PKR-USD exchange rate vo...

Continual Energy Management System of Proton Exchange Membrane Fuel Cell Hybrid Power Electric Vehicles

Directory of Open Access Journals (Sweden)

Ren Yuan

2016-01-01

Full Text Available Current research status in energy management of Proton Exchange Membrane (PEM fuel cell hybrid power electric vehicles are first described in this paper, and then build the PEMFC/ lithium-ion battery/ ultra-capacitor hybrid system model. The paper analysis the key factors of the continuous power available in PEM fuel cell hybrid power electric vehicle and hybrid power system working status under different driving modes. In the end this paper gives the working flow chart of the hybrid power system and concludes the three items of the system performance analysis.

Meson exchange currents in a relativistic model for electromagnetic one nucleon emission

International Nuclear Information System (INIS)

Meucci, Andrea; Giusti, Carlotta; Pacati, Franco Davide

2002-01-01

We analyze the role of meson exchange currents (MECs) in photon- and electron-induced one nucleon emission reactions in a fully relativistic model. The relativistic mean-field theory is used for the bound state and the Pauli reduction for the scattering state. Direct one-body and exchange two-body terms in the nuclear current are considered. Results for the 12 C(γ,p) and 16 O(γ,p) differential cross sections and photon asymmetries are displayed in an energy range between 60 and 196 MeV. The two-body seagull current affects the cross section less than in nonrelativistic analyses. In the case of the 16 O(γ,n) differential cross section, MEC effects are large but not sufficient to reproduce the data. MECs have a small effect on (e,e ' p) calculations

Mathematical model development of heat and mass exchange processes in the outdoor swimming pool

Directory of Open Access Journals (Sweden)

M. V. Shaptala

2014-12-01

Full Text Available Purpose. Currently exploitation of outdoor swimming pools is often not cost-effective and, despite of their relevance, such pools are closed in large quantities. At this time there is no the whole mathematical model which would allow assessing qualitatively the effect of energy-saving measures. The aim of this work is to develop a mathematical model of heat and mass exchange processes for calculating basic heat and mass losses that occur during its exploitation. Methodology. The method for determination of heat and mass loses based on the theory of similarity criteria equations is used. Findings. The main types of heat and mass losses of outdoor pool were analyzed. The most significant types were allocated and mathematically described. Namely: by evaporation of water from the surface of the pool, by natural and forced convection, by radiation to the environment, heat consumption for water heating. Originality. The mathematical model of heat and mass exchange process of the outdoor swimming pool was developed, which allows calculating the basic heat and mass loses that occur during its exploitation. Practical value. The method of determining heat and mass loses of outdoor swimming pool as a software system was developed and implemented. It is based on the mathematical model proposed by the authors. This method can be used for the conceptual design of energy-efficient structures of outdoor pools, to assess their use of energy-intensive and selecting the optimum energy-saving measures. A further step in research in this area is the experimental validation of the method of calculation of heat losses in outdoor swimming pools with its use as an example the pool of Dnipropetrovsk National University of Railway Transport named after Academician V. Lazaryan. The outdoor pool, with water heating- up from the boiler room of the university, is operated year-round.

Thermodynamic analysis on theoretical models of cycle combined heat exchange process: The reversible heat exchange process

International Nuclear Information System (INIS)

Zhang, Chenghu; Li, Yaping

2017-01-01

Concept of reversible heat exchange process as the theoretical model of the cycle combined heat exchanger could be useful to determine thermodynamics characteristics and the limitation values in the isolated heat exchange system. In this study, the classification of the reversible heat exchange processes is presented, and with the numerical method, medium temperature variation tendency and the useful work production and usage in the whole process are investigated by the construction and solution of the mathematical descriptions. Various values of medium inlet temperatures and heat capacity ratio are considered to analyze the effects of process parameters on the outlet temperature lift/drop. The maximum process work transferred from the Carnot cycle region to the reverse cycle region is also researched. Moreover, influence of the separating point between different sub-processes on temperature variation profile and the process work production are analyzed. In addition, the heat-exchange-enhancement-factor is defined to study the enhancement effect of the application of the idealized process in the isolated heat exchange system, and the variation degree of this factor with process parameters change is obtained. The research results of this paper can be a theoretical guidance to construct the cycle combined heat exchange process in the practical system. - Highlights: • A theoretical model of Cycle combined heat exchange process is proposed. • The classification of reversible heat exchange process are presented. • Effects of Inlet temperatures and heat capacity ratio on process are analyzed. • Process work transmission through the whole process is studied. • Heat-exchange-enhancement-factor can be a criteria to express the application effect of the idealized process.

Exchange rate predictability and state-of-the-art models

OpenAIRE

Yeșin, Pınar

2016-01-01

This paper empirically evaluates the predictive performance of the International Monetary Fund's (IMF) exchange rate assessments with respect to future exchange rate movements. The assessments of real trade-weighted exchange rates were conducted from 2006 to 2011, and were based on three state-of-the-art exchange rate models with a medium-term focus which were developed by the IMF. The empirical analysis using 26 advanced and emerging market economy currencies reveals that the "diagnosis" of ...

Forward pion-nucleon charge exchange reaction and Regge constraints

International Nuclear Information System (INIS)

Huang Fei; Sibirtsev, A.; Krewald, S.; Hanhart, C.; Haidenbauer, J.; Meibner, U.-G.

2009-01-01

We present our recent study of pion-nucleon charge exchange amplitudes above 2 GeV. We analyze the forward pion-nucleon charge exchange reaction data in a Regge model and compare the resulting amplitudes with those from the Karlsruhe-Helsinki and George-Washington-University partial-wave analyses. We explore possible high-energy constraints for theoretical baryon resonance analyses in the energy region above 2 GeV. Our results show that for the pion-nucleon charge exchange reaction, the appropriate energy region for matching meson-nucleon dynamics to diffractive scattering should be around 3 GeV for the helicity flip amplitude. (authors)

Mathematical modeling and control of plate fin and tube heat exchangers

International Nuclear Information System (INIS)

Taler, Dawid

2015-01-01

Highlights: • A method for numerical modeling of plate fin and tube heat exchangers was proposed. • A numerical model of an automobile radiator was developed. • Numerical models of the radiator were compared with an exact analytical model. • A model-based control system of water outlet temperature was built and tested. • A digital proportional–integral–derivative controller of heat exchanger was tested. - Abstract: The aim of the study is to develop a new method for numerical modeling of tubular cross-flow heat exchangers. Using the method proposed in the paper, a numerical model of a car radiator was developed and implemented in a digital control system of the radiator. To evaluate the accuracy of the numerical method proposed in the paper, the numerical model of the car radiator was compared with an analytic model. The proposed method based on a finite volume method and integral averaging of gas temperature across a tube row is appropriate for modeling of plate fin and tube heat exchangers, especially for exchangers in which substantial gas temperature differences in one tube row occur. The target of control is to regulate the number of fan revolutions per minute so that the water temperature at the heat exchanger outlet is equal to a set value. Two control techniques were developed. The first is based on the numerical model of the heat exchanger developed in the paper while the second is a digital proportional–integral–derivative control. The first control method is very stable. The digital proportional–integral–derivative controller becomes unstable when the water volume flow rate varies considerably. The developed techniques were implemented in digital control system of the water exit temperature in a plate fin and tube heat exchanger. The measured exit temperature of the water was very close to the set value of the temperature if the first method was used. The experiments show that the proportional–integral–derivative controller

Ammonium Bicarbonate Transport in Anion Exchange Membranes for Salinity Gradient Energy

KAUST Repository

Geise, Geoffrey M.

2013-09-17

Many salinity gradient energy technologies such as reverse electrodialysis (RED) rely on highly selective anion transport through polymeric anion exchange membranes. While there is considerable interest in using thermolytic solutions such as ammonium bicarbonate (AmB) in RED processes for closed-loop conversion of heat energy to electricity, little is known about membrane performance in this electrolyte. The resistances of two commercially available cation exchange membranes in AmB were lower than their resistances in NaCl. However, the resistances of commercially available anion exchange membranes (AEMs) were much larger in AmB than in NaCl, which would adversely affect energy recovery. The properties of a series of quaternary ammonium-functionalized poly(phenylene oxide) and Radel-based AEMs were therefore examined to understand the reasons for increased resistance in AmB to overcome this performance penalty due to the lower mobility of bicarbonate, 4.59 × 10-4 cm2/(V s), compared to chloride, 7.90 × 10-4 cm2/(V s) (the dilute aqueous solution mobility ratio of HCO3 - to Cl- is 0.58). Most membrane resistances were generally consistent with the dilute solution mobilities of the anions. For a few key samples, however, increased water uptake in AmB solution reduced the ionic resistance of the polymer compared to its resistance in NaCl solution. This increased water uptake was attributed to the greater hydration of the bicarbonate ion compared to the chloride ion. The increased resistance due to the use of bicarbonate as opposed to chloride ions in AEMs can therefore be mitigated by designing polymers that swell more in AmB compared to NaCl solutions, enabling more efficient energy recovery using AmB thermolytic solutions in RED. © 2013 American Chemical Society.

Ammonium Bicarbonate Transport in Anion Exchange Membranes for Salinity Gradient Energy

KAUST Repository

Geise, Geoffrey M.; Hickner, Michael A.; Logan, Bruce E.

2013-01-01

Many salinity gradient energy technologies such as reverse electrodialysis (RED) rely on highly selective anion transport through polymeric anion exchange membranes. While there is considerable interest in using thermolytic solutions such as ammonium bicarbonate (AmB) in RED processes for closed-loop conversion of heat energy to electricity, little is known about membrane performance in this electrolyte. The resistances of two commercially available cation exchange membranes in AmB were lower than their resistances in NaCl. However, the resistances of commercially available anion exchange membranes (AEMs) were much larger in AmB than in NaCl, which would adversely affect energy recovery. The properties of a series of quaternary ammonium-functionalized poly(phenylene oxide) and Radel-based AEMs were therefore examined to understand the reasons for increased resistance in AmB to overcome this performance penalty due to the lower mobility of bicarbonate, 4.59 × 10-4 cm2/(V s), compared to chloride, 7.90 × 10-4 cm2/(V s) (the dilute aqueous solution mobility ratio of HCO3 - to Cl- is 0.58). Most membrane resistances were generally consistent with the dilute solution mobilities of the anions. For a few key samples, however, increased water uptake in AmB solution reduced the ionic resistance of the polymer compared to its resistance in NaCl solution. This increased water uptake was attributed to the greater hydration of the bicarbonate ion compared to the chloride ion. The increased resistance due to the use of bicarbonate as opposed to chloride ions in AEMs can therefore be mitigated by designing polymers that swell more in AmB compared to NaCl solutions, enabling more efficient energy recovery using AmB thermolytic solutions in RED. © 2013 American Chemical Society.

A lumped parameter, low dimension model of heat exchanger

International Nuclear Information System (INIS)

Kanoh, Hideaki; Furushoo, Junji; Masubuchi, Masami

1980-01-01

This paper reports on the results of investigation of the distributed parameter model, the difference model, and the model of the method of weighted residuals for heat exchangers. By the method of weighted residuals (MWR), the opposite flow heat exchanger system is approximated by low dimension, lumped parameter model. By assuming constant specific heat, constant density, the same form of tube cross-section, the same form of the surface of heat exchange, uniform flow velocity, the linear relation of heat transfer to flow velocity, liquid heat carrier, and the thermal insulation of liquid from outside, fundamental equations are obtained. The experimental apparatus was made of acrylic resin. The response of the temperature at the exit of first liquid to the variation of the flow rate of second liquid was measured and compared with the models. The MWR model shows good approximation for the low frequency region, and as the number of division increases, good approximation spreads to higher frequency region. (Kato, T.)

U.S. Department of Energy national technology information exchange workshops

International Nuclear Information System (INIS)

Daub, G.J.; Earle, S.D.; Smibert, A.M.; Wight, E.H.

1994-01-01

The U.S. Department of Energy National Technology Information Exchange (TIE) Workshops bring together environmental restoration and technology development personnel to exchange and share problems, needs, technological solutions, ideas, and successes and failures from lessons learned at DOE sites. The success of this forum is measured by the knowledge gained, contacts made, and program dollars saved by the people who actually do the work in the field. TIE is a unique opportunity to unite the DOE community and allow individuals to listen and to learn about each others' problems and solutions. By using today's technologies better, the National TIE Workshops help identify and implement cost-effective and appropriate technologies to meet the needs of the DOE environmental restoration program

Optimal design of a NGNP heat exchanger with cost model

International Nuclear Information System (INIS)

Ridluan, Artit; Danchus, William; Tokuhiro, Akira

2009-01-01

With steady increase in energy consumption, the vulnerability of the fossil fuel supply, and environmental concerns, the U.S. Department of Energy (DOE) has initiated the Next Generation Nuclear Power Plants (NGNP), also known as Very High Temperature Reactor (VHTR). The VHTR is planned to be operational by 2021 with possible demonstration of a hydrogen generating plant. Various engineering design studies on both the reactor plant and energy conversion system are underway. For this and related Generation IV plants, it is the goal to not only meet safety criteria but to also be efficient, economically competitive, and environmentally friendly (proliferation resistant). Traditionally, heat exchanger (HX) design is based on two main approaches: Log-Mean Temperature Difference (LMTD) and effectiveness-NTU (ε-NTU). These methods yield the dimension of the HX under anticipate condition and vice-versa. However, one is not assured that the dimension calculated give the best performing HX when economics are also considered. Here, we develop and show a specific optimization algorithm (exercise) using LMTD and simple (optimal) design theory to establish a reference case for the Printed Circuit Heat Exchanger (PCHE). Computational Fluid Dynamics (CFD) was further used as a design tool to investigate the optimal design of PCHE thermohydraulic flow. The CFD results were validated against the Blasius correlation before being subjected to optimal design analyses. Benchmark results for the pipe flow indicated that the predictive ability of SST k-ω is superior to the other (standard and RNG k-ε and RSM) turbulence models. The difference between CFD and the empirical expression is less than 10%. (author)

The energy dependence of neutron-proton charge exchange

International Nuclear Information System (INIS)

Bouquet, A.; Diu, R.

1978-01-01

The new Fermilab data on up charge exchange are analysed phenomenologically, to determine the energy dependence of the amplitudes in the corresponding domain (60 2 trajectories. If one imposes the presence of standard rho-A 2 terms (three-component analysis), one has to introduce a pomeronlike contribution, with a trajectory α approximately equal to 1.0+0.25t. In both cases, the resulting parametrization gives a good description of the data from Psub(lab)=1GeV/c up to 300GeV/c

Contrasting response of European forest and grassland energy exchange to heatwaves

DEFF Research Database (Denmark)

Teuling, A.J.; Seneviratne, S.I.; Stöckli, R.

2010-01-01

on the exchange of water and energy and the interaction of this exchange with the soil water balance during heatwaves is largely unknown. Here we analyse observations from an extensive network of flux towers in Europe that reveal a difference between the temporal responses of forest and grassland ecosystems...... and induces a critical shift in the regional climate system that leads to increased heating. We propose that this mechanism may explain the extreme temperatures in August 2003. We conclude that the conservative water use of forest contributes to increased temperatures in the short term, but mitigates...

Modelling and dynamics analysis of heat exchanger as a distributed parameter process

International Nuclear Information System (INIS)

Savic, B.; Debeljkovic, D.Lj.

2004-01-01

A non-linear and afterwards linearized mathematical model of fuel oil cooling chamber has been developed. This chamber is a part of a recuperative heat exchanger of a tube-in-tube type and of opposite-direction acting, set in a heavy oil fraction discharge tubing. The model is defined as a range of assumptions and simplifications from which energy balance equations under non-stationary operating conditions are derived. The model is in the form of a set of partial differential equations with constant coefficients. Using appropriate numerical simulation of the transfer function, the dynamic of this process has been shown in the form of appropriate transient process responses which quite well correspond to the real process behavior

Modelling and dynamics analysis of heat exchanger as a distributed parameter process

Energy Technology Data Exchange (ETDEWEB)

Savic, B.; Debeljkovic, D.Lj. [University of Belgrade, Department of Control Engineering, Belgrade (Yugoslavia)

2004-07-01

A non-linear and afterwards linearized mathematical model of fuel oil cooling chamber has been developed. This chamber is a part of a recuperative heat exchanger of a tube-in-tube type and of opposite-direction acting, set in a heavy oil fraction discharge tubing. The model is defined as a range of assumptions and simplifications from which energy balance equations under non-stationary operating conditions are derived. The model is in the form of a set of partial differential equations with constant coefficients. Using appropriate numerical simulation of the transfer function, the dynamic of this process has been shown in the form of appropriate transient process responses which quite well correspond to the real process behavior.

Numerical Modeling of Conjugate Thermogravitational Convection in a Closed System with a Radiant Energy Source in Conditions of Convective-Radiative Heat Exchange at the External Boundary

Directory of Open Access Journals (Sweden)

Nee Alexander

2016-01-01

Full Text Available Mathematical modeling of conjugate natural convection in a closed rectangular cavity with a radiant energy source in conditions of convective-radiative heat exchange at the external boundary was conducted. The radiant energy distribution was set by the Lambert’s law. Conduction and convection processes analysis showed that the air masses flow pattern is modified slightly over the time. The temperature increases in the gas cavity, despite the heat removal from the one of the external boundary. According to the results of the integral heat transfer analysis were established that the average Nusselt number (Nuav increasing occurs up to τ = 200 (dimensionless time. Further Nuav has changed insignificantly due to the temperature field equalization near the interfaces “gas – wall”.

Charge exchange in low-energy Li/sup 3 +/-H collisions

Energy Technology Data Exchange (ETDEWEB)

Casaubon, J I [Instituto de Astronomia y Fisica del Espacio, Buenos Aires (Argentina); Piacentini, R D [Rosario Univ. Nacional (Argentina). Dept. de Fisica; Observatorio Astronomico Municipal, Rosario (Argentina)); Salin, A [Bordeaux-1 Univ., 33 - Talence (France)

1981-04-28

The charge exchange between a completely stripped lithium ion and a hydrogen atom is studied in the framework of the impact parameter molecular approximation for relative velocities lower than one atomic unit. The total cross section shows a strong increase as a function of the energy. The results are compared with theoretical and experimental data of other authors.

Exchange and spin-fluctuation superconducting pairing in the strong correlation limit of the Hubbard model

International Nuclear Information System (INIS)

Plakida, N. M.; Anton, L.; Adam, S. . Department of Theoretical Physics, Horia Hulubei National Institute for Physics and Nuclear Engineering, PO Box MG-6, RO-76900 Bucharest - Magurele; RO); Adam, Gh. . Department of Theoretical Physics, Horia Hulubei National Institute for Physics and Nuclear Engineering, PO Box MG-6, RO-76900 Bucharest - Magurele; RO)

2001-01-01

A microscopical theory of superconductivity in the two-band singlet-hole Hubbard model, in the strong coupling limit in a paramagnetic state, is developed. The model Hamiltonian is obtained by projecting the p-d model to an asymmetric Hubbard model with the lower Hubbard subband occupied by one-hole Cu d-like states and the upper Hubbard subband occupied by two-hole p-d singlet states. The model requires two microscopical parameters only, the p-d hybridization parameter t and the charge-transfer gap Δ. It was previously shown to secure an appropriate description of the normal state properties of the high -T c cuprates. To treat rigorously the strong correlations, the Hubbard operator technique within the projection method for the Green function is used. The Dyson equation is derived. In the molecular field approximation, d-wave superconducting pairing of conventional hole (electron) pairs in one Hubbard subband is found, which is mediated by the exchange interaction given by the interband hopping, J ij = 4 (t ij ) 2 / Δ. The normal and anomalous components of the self-energy matrix are calculated in the self-consistent Born approximation for the electron-spin-fluctuation scattering mediated by kinematic interaction of the second order of the intraband hopping. The derived numerical and analytical solutions predict the occurrence of singlet d x 2 -y 2 -wave pairing both in the d-hole and singlet Hubbard subbands. The gap functions and T c are calculated for different hole concentrations. The exchange interaction is shown to be the most important pairing interaction in the Hubbard model in the strong correlation limit, while the spin-fluctuation coupling results only in a moderate enhancement of T c . The smaller weight of the latter comes from two specific features: its vanishing inside the Brillouin zone (BZ) along the lines, |k x | + |k y |=π pointing towards the hot spots and the existence of a small energy shell within which the pairing is effective. By

Modeling energy fluxes in heterogeneous landscapes employing a mosaic approach

Science.gov (United States)

Klein, Christian; Thieme, Christoph; Priesack, Eckart

2015-04-01

Recent studies show that uncertainties in regional and global climate and weather simulations are partly due to inadequate descriptions of the energy flux exchanges between the land surface and the atmosphere. One major shortcoming is the limitation of the grid-cell resolution, which is recommended to be about at least 3x3 km² in most models due to limitations in the model physics. To represent each individual grid cell most models select one dominant soil type and one dominant land use type. This resolution, however, is often too coarse in regions where the spatial diversity of soil and land use types are high, e.g. in Central Europe. An elegant method to avoid the shortcoming of grid cell resolution is the so called mosaic approach. This approach is part of the recently developed ecosystem model framework Expert-N 5.0. The aim of this study was to analyze the impact of the characteristics of two managed fields, planted with winter wheat and potato, on the near surface soil moistures and on the near surface energy flux exchanges of the soil-plant-atmosphere interface. The simulated energy fluxes were compared with eddy flux tower measurements between the respective fields at the research farm Scheyern, North-West of Munich, Germany. To perform these simulations, we coupled the ecosystem model Expert-N 5.0 to an analytical footprint model. The coupled model system has the ability to calculate the mixing ratio of the surface energy fluxes at a given point within one grid cell (in this case at the flux tower between the two fields). This approach accounts for the differences of the two soil types, of land use managements, and of canopy properties due to footprint size dynamics. Our preliminary simulation results show that a mosaic approach can improve modeling and analyzing energy fluxes when the land surface is heterogeneous. In this case our applied method is a promising approach to extend weather and climate models on the regional and on the global scale.

Study of the Bonham series representation of the Born--Oppenheimer exchange amplitude and the derivation of a local exchange potential

International Nuclear Information System (INIS)

Huo, W.M.

1977-01-01

The convergence and range of applicability of the Bonham series representation of the Born--Oppenheimer exchange amplitude is investigated. Numerical calculations on 1 1 S→2 3 S and 1 1 S→2 3 P of He by electron impact demonstrate that the first three terms of the Bonham series can provide an adequate representation of the Born--Oppenheimer amplitude from high energies down to near threshold. The three-term Bonham series is then used to represent the Hartree--Fock exchange kernel in momentum space, which has been shown by Lassettre to be proportional to the Born--Oppenheimer amplitude. Inverse Fourier transform, plus an additional approximation of replacing the momentum which appears as an expansion parameter in the Bonham series by its averge value, gives us a local exchange potential. If the averge momentum in the Thomas--Fermi model is used, the first term of the local exchange potential is just the electron gas exchange potential. A second term corresponding to a correction for the inhomogeneity in the electron gas density, is also obtained. No adjustable parameter is involved. Exchange energies of He, Be, and Ne calculated using the local exchange potential agree much better with the Hartree--Fock results than the electron gas model

Universal model for water costs of gas exchange by animals and plants

OpenAIRE

Woods, H. Arthur; Smith, Jennifer N.

2010-01-01

For terrestrial animals and plants, a fundamental cost of living is water vapor lost to the atmosphere during exchange of metabolic gases. Here, by bringing together previously developed models for specific taxa, we integrate properties common to all terrestrial gas exchangers into a universal model of water loss. The model predicts that water loss scales to gas exchange with an exponent of 1 and that the amount of water lost per unit of gas exchanged depends on several factors: the surface t...

Oscillatory Energy Exchange Between Waves Coupled by a Dynamic Artificial Crystal

OpenAIRE

Karenowska, Alexy D.; Tiberkevich, Vasil S.; Chumak, Andrii V.; Serga, Alexander A.; Gregg, John F.; Slavin, Andrei N.; Hillebrands, Burkard

2011-01-01

We describe a general mechanism of controllable energy exchange between waves propagating in a dynamic artificial crystal. We show that if a spatial periodicity is temporarily imposed on the transmission properties of a wave-carrying medium whilst a wave is inside, this wave is coupled to a secondary counter-propagating wave and energy oscillates between the two. The oscillation frequency is determined by the width of the spectral band gap created by the periodicity and the frequency differen...

Magnetic ordering of four particle exchange model in BCC 3He

International Nuclear Information System (INIS)

Ishikawa, Koji; Okada, Isamu

1978-01-01

The low temperature magnetic ordering of BCC 3 He within the mean field approximation was studied. A model including four particle exchange interactions was considered. Two types of cyclic quadrupole exchange process, planar and folded, were taken into account. Assuming four sublattices, it was considered to minimize the spin energy with respect to the classical spin vector and to find out four ordered states at the absolute zero point. They are antiferromagnetic (AF), weak ferromagnetic (WF) and two kinds of simple cubic antiferromagnetic states (SCAF). The condition for the existence of each ordered state is given, and the free energies of the ordered states are calculated in the mean field approximation. The transition between AF or SCAF and the paramagnetic states is of the first order. The phase diagram is drawn in the parameter space. The phase diagram was obtained numerically at Hetherington and Willard's value and at its neighbouring values. The difference between the present result and HW's is that of magnetic field direction in the perpendicular simple cubic antiferromagnetic states. The second order transition disappears, and the WF state changes gradually into AF state. With respect to the first order transition, the transition temperature increases with magnetic field. In this case, a critical magnetic field exists. (Kato, T

7D Randall-Sundrum cosmology, brane-bulk energy exchange, and holography

International Nuclear Information System (INIS)

Mazzanti, Liuba

2008-01-01

We discuss the cosmological implications and the holographic dual theory of the 7D Randall-Sundrum gravitational setup. Adding generic matter in the bulk on the 7D gravity side, we study the cosmological evolution inferred by the nonvanishing value of the brane-bulk energy exchange parameter. This analysis is achieved in detail for specific assumptions on the internal space evolution, including analytical considerations and numerical results. The dual theory is then constructed, making use of the holographic renormalization procedure. The resulting renormalized 6D conformal field theory is anomalous and coupled to 6D gravity plus higher order corrections. The critical point analysis on the brane is performed. Finally, we sketch a comparison between the two dual descriptions. We moreover generalize the Ads/CFT dual theory to the nonconformal and interacting case, relating the energy exchange parameter of the bulk gravity description to the new interactions between hidden and visible sectors.

Model Based Controller Design for a Shell and Tube Heat Exchanger

Directory of Open Access Journals (Sweden)

S. Nithya

2007-10-01

Full Text Available In all the process industries the process variables like flow, pressure, level and temperature are the main parameters that need to be controlled in both set point and load changes. The transfer of heat is one of the main important operation in the heat exchanger .The transfer of heat may be fluid to fluid, gas to gas i.e. in the same phase or the phase change can occur on either side of the heat exchanger. The control of heat exchanger is complex due to its nonlinear dynamics. For this nonlinear process of a heat exchanger the model is identified to be First Order plus Dead Time (FOPDT.The Internal Model Control (IMC is one of the model predictive control methods based on the predictive output of the process model. The conventional controller tuning is compared with IMC techniques and it found to be suitable for heat exchanger than the conventional PI tuning.

Modeling the dynamic operation of a small fin plate heat exchanger – parametric analysis

Directory of Open Access Journals (Sweden)

Motyliński Konrad

2015-09-01

Full Text Available Given its high efficiency, low emissions and multiple fuelling options, the solid oxide fuel cells (SOFC offer a promising alternative for stationary power generators, especially while engaged in micro-combined heat and power (μ-CHP units. Despite the fact that the fuel cells are a key component in such power systems, other auxiliaries of the system can play a critical role and therefore require a significant attention. Since SOFC uses a ceramic material as an electrolyte, the high operating temperature (typically of the order of 700–900 °C is required to achieve sufficient performance. For that reason both the fuel and the oxidant have to be preheated before entering the SOFC stack. Hot gases exiting the fuel cell stack transport substantial amount of energy which has to be partly recovered for preheating streams entering the stack and for heating purposes. Effective thermal integration of the μ-CHP can be achieved only when proper technical measures are used. The ability of efficiently preheating the streams of oxidant and fuel relies on heat exchangers which are present in all possible configurations of power system with solid oxide fuel cells. In this work a compact, fin plate heat exchanger operating in the high temperature regime was under consideration. Dynamic model was proposed for investigation of its performance under the transitional states of the fuel cell system. Heat exchanger was simulated using commercial modeling software. The model includes key geometrical and functional parameters. The working conditions of the power unit with SOFC vary due to the several factors, such as load changes, heating and cooling procedures of the stack and others. These issues affect parameters of the incoming streams to the heat exchanger. The mathematical model of the heat exchanger is based on a set of equations which are simultaneously solved in the iterative process. It enables to define conditions in the outlets of both the hot and the

BASIMO - Borehole Heat Exchanger Array Simulation and Optimization Tool

Science.gov (United States)

Schulte, Daniel O.; Bastian, Welsch; Wolfram, Rühaak; Kristian, Bär; Ingo, Sass

2017-04-01

Arrays of borehole heat exchangers are an increasingly popular source for renewable energy. Furthermore, they can serve as borehole thermal energy storage (BTES) systems for seasonally fluctuating heat sources like solar thermal energy or district heating grids. The high temperature level of these heat sources prohibits the use of the shallow subsurface for environmental reasons. Therefore, deeper reservoirs have to be accessed instead. The increased depth of the systems results in high investment costs and has hindered the implementation of this technology until now. Therefore, research of medium deep BTES systems relies on numerical simulation models. Current simulation tools cannot - or only to some extent - describe key features like partly insulated boreholes unless they run fully discretized models of the borehole heat exchangers. However, fully discretized models often come at a high computational cost, especially for large arrays of borehole heat exchangers. We give an update on the development of BASIMO: a tool, which uses one dimensional thermal resistance and capacity models for the borehole heat exchangers coupled with a numerical finite element model for the subsurface heat transport in a dual-continuum approach. An unstructured tetrahedral mesh bypasses the limitations of structured grids for borehole path geometries, while the thermal resistance and capacity model is improved to account for borehole heat exchanger properties changing with depth. Thereby, partly insulated boreholes can be considered in the model. Furthermore, BASIMO can be used to improve the design of BTES systems: the tool allows for automated parameter variations and is readily coupled to other code like mathematical optimization algorithms. Optimization can be used to determine the required minimum system size or to increase the system performance.

Simulation study on exchange interaction and unique magnetization near ferromagnetic morphotropic phase boundary.

Science.gov (United States)

Wei, Songrui; Liao, Xiaoqi; Gao, Yipeng; Yang, Sen; Wang, Dong; Song, Xiaoping

2017-11-08

Extensive efforts have been made in searching enhanced functionalities near the so-called morphotropic phase boundaries (MPBs) in both ferroelectric and ferromagnetic materials. Due to the exchange anti-symmetry of the wave function of fermions, it is widely recognized that the exchange interaction plays a critical role in ferromagnetism. As a quantum effect, the exchange interaction is magnitudes larger than electric interaction, leading to a fundamental difference between ferroelectricity and ferromagnetism. In this paper, we establish an energetic model capturing the interplay among the anisotropy energy, magnetostatic energy and the exchange energy to investigate systematically the effects of the exchange energy on the behavior of the ferromagnetic MPB. For the first time, it is found that the exchange energy can narrow the width of MPB region in the composition temperature phase diagram for ferromagnetic MPB systems. As temperature increases, MPB region becomes wider because of the weakening of the exchange interaction. Our simulation results suggest that the exchange energy play a critical role on the unique behavior of ferromagnetic MPB, which is in contrast different from that of ferroelectric MPB.

Self-consistent one-gluon exchange in soliton bag models

International Nuclear Information System (INIS)

Dodd, L.R.; Adelaide Univ.; Williams, A.G.

1988-01-01

The treatment of soliton bag models as two-point boundary value problems is extended to include self-consistent one-gluon exchange interactions. The colour-magnetic contribution to the nucleon-delta mass splitting is calculated self-consistently in the mean-field, one-gluon-exchange approximation for the Friedberg-Lee and Nielsen-Patkos models. Small glueball mass parameters (m GB ∝ 500 MeV) are favoured. Comparisons with previous calculations are made. (orig.)

Pion-nucleus double charge exchange and the nuclear shell model

International Nuclear Information System (INIS)

Auerbach, N.; Gibbs, W.R.; Ginocchio, J.N.; Kaufmann, W.B.

1988-01-01

The pion-nucleus double charge exchange reaction is studied with special emphasis on nuclear structure. The reaction mechanism and nuclear structure aspects of the process are separated using both the plane-wave and distorted-wave impulse approximations. Predictions are made employing both the seniority model and a full shell model (with a single active orbit). Transitions to the double analog state and to the ground state of the residual nucleus are computed. The seniority model yields particularly simple relations among double charge exchange cross sections for nuclei within the same shell. Limitations of the seniority model and of the plane-wave impulse approximation are discussed as well as extensions to the generalized seniority scheme. Applications of the foregoing ideas to single charge exchange are also presented

NETL's Energy Data Exchange (EDX) - a coordination, collaboration, and data resource discovery platform for energy science

Science.gov (United States)

Rose, K.; Rowan, C.; Rager, D.; Dehlin, M.; Baker, D. V.; McIntyre, D.

2015-12-01

Multi-organizational research teams working jointly on projects often encounter problems with discovery, access to relevant existing resources, and data sharing due to large file sizes, inappropriate file formats, or other inefficient options that make collaboration difficult. The Energy Data eXchange (EDX) from Department of Energy's (DOE) National Energy Technology Laboratory (NETL) is an evolving online research environment designed to overcome these challenges in support of DOE's fossil energy goals while offering improved access to data driven products of fossil energy R&D such as datasets, tools, and web applications. In 2011, development of NETL's Energy Data eXchange (EDX) was initiated and offers i) a means for better preserving of NETL's research and development products for future access and re-use, ii) efficient, discoverable access to authoritative, relevant, external resources, and iii) an improved approach and tools to support secure, private collaboration and coordination between multi-organizational teams to meet DOE mission and goals. EDX presently supports fossil energy and SubTER Crosscut research activities, with an ever-growing user base. EDX is built on a heavily customized instance of the open source platform, Comprehensive Knowledge Archive Network (CKAN). EDX connects users to externally relevant data and tools through connecting to external data repositories built on different platforms and other CKAN platforms (e.g. Data.gov). EDX does not download and repost data or tools that already have an online presence. This leads to redundancy and even error. If a relevant resource already has an online instance, is hosted by another online entity, EDX will point users to that external host either using web services, inventorying URLs and other methods. EDX offers users the ability to leverage private-secure capabilities custom built into the system. The team is presently working on version 3 of EDX which will incorporate big data analytical

Trends in the exchange current for hydrogen evolution

DEFF Research Database (Denmark)

Nørskov, Jens Kehlet; Bligaard, Thomas; Logadottir, Ashildur

2005-01-01

A density functional theory database of hydrogen chemisorption energies on close packed surfaces of a number of transition and noble metals is presented. The bond energies are used to understand the trends in the exchange current for hydrogen evolution. A volcano curve is obtained when measured...... exchange currents are plotted as a function of the calculated hydrogen adsorption energies and a simple kinetic model is developed to understand the origin of the volcano. The volcano curve is also consistent with Pt being the most efficient electrocatalyst for hydrogen evolution. (c) 2005...

Finite-size effects on multibody neutrino exchange

CERN Document Server

Abada, A; Rodríguez-Quintero, J; Abada, As

1998-01-01

The effect of multibody massless neutrino exchanges between neutrons inside a finite-size neutron star is studied. We use an effective Lagrangian, which incorporates the effect of the neutrons on the neutrinos. Following Schwinger, it is shown that the total interaction energy density is computed by comparing the zero point energy of the neutrino sea with and without the star. It has already been shown that in an infinite-size star the total energy due to neutrino exchange vanishes exactly. The opposite claim that massless neutrino exchange would produce a huge energy is due to an improper summation of an infrared-divergent quantity. The same vanishing of the total energy has been proved exactly in the case of a finite star in a one-dimensional toy model. Here we study the three-dimensional case. We first consider the effect of a sharp star border, assumed to be a plane. We find that there is a non- vanishing of the zero point energy density difference between the inside and the outside due to the refraction ...

Model Adoption Exchange Payment System: Technical Specifications and User Instructions.

Science.gov (United States)

Ambrosino, Robert J.

This user's manual, designed to meet the needs of adoption exchange administrators and program managers for a formal tool to assist them in the overall management and operation of their program, presents the Model Adoption Exchange Payment System (MAEPS), which was developed to improve the delivery of adoption exchange services throughout the…

Social energy exchange theory for postpartum depression.

Science.gov (United States)

Posmontier, Bobbie; Waite, Roberta

2011-01-01

Postpartum depression (PPD), a significant health problem affecting about 19.4% of postpartum women worldwide, may result in long-term cognitive and behavior problems in children, spousal depression, widespread family dysfunction, and chronic and increasingly severe maternal depression. Although current theoretical frameworks provide a rich context for studying PPD,none provides a framework that specifically addresses the dynamic relationship of the inner personal experience with the social and cultural context of PPD. The authors propose the social energy exchange theory for postpartum depression to understand how PPD impedes this dynamic relationship and suggest it as a theoretical framework for the study of interventions that would target intra- and interpersonal disturbance within the social and cultural context.

Merging and energy exchange between optical filaments

Energy Technology Data Exchange (ETDEWEB)

Georgieva, D. A., E-mail: dgeorgieva@tu-sofia.bg [Faculty of Applied Mathematics and Computer Science, Technical University of Sofia, 8 Kliment Ohridski Blvd., 1000 Sofia (Bulgaria); Kovachev, L. M. [Institute of Electronics, Bulgarian Academy of Sciences, 72 Tzarigradcko Chaussee Blvd., 1784 Sofia (Bulgaria)

2015-10-28

We investigate nonlinear interaction between collinear femtosecond laser pulses with power slightly above the critical for self-focusing P{sub cr} trough the processes of cross-phase modulation (CPM) and degenerate four-photon parametric mixing (FPPM). When there is no initial phase difference between the pulses we observe attraction between pulses due to CPM. The final result is merging between the pulses in a single filament with higher power. By method of moments it is found that the attraction depends on the distance between the pulses and has potential character. In the second case we study energy exchange between filaments. This process is described through FPPM scheme and requests initial phase difference between the waves.

On the mathematic simulation of the energy efficiency for heat exchangers with the systems of impingement plane-parallel jets

Directory of Open Access Journals (Sweden)

Haritonova Larisa

2017-01-01

Full Text Available The article gives the analytical generalization of the data on the energy efficiency for heat exchangers with the flat heat exchange surface to which systems of impact plane parallel jets are sent. Functional relations of specific power consumption (per unit of area, which were obtained for the first time using the techniques of the similarity law, for moving a heat carrier are shown with regard to design and operation factors. The regression equations representing a mathematical model of the process enable to carry out an analysis of various factors impact on the parameter to be determined. The obtained results can be used to optimize or to create the calculation techniques for new highly-efficient heat exchange devices with jet plane -parallel impingement systems and also to reduce power consumption for moving a heat carrier.

Local description of the energy transfer process in a packed bed heat exchanger

International Nuclear Information System (INIS)

Costa, M.L.M.; Sampaio, R.; Gama, R.M.S. da.

1990-01-01

The energy transfer process in a packed-bed heat exchanger, in counter0flow arrangement is considered. The phenomenon is described through a Continuum Theory of Mixtures approach, in which fluid and solid (porous matrix) are regarded as continuous constituents possessing, each one, its own temperature and velocity fields. The heat 'exchangers consists of two channels, separated by an impermeable wall without thermal resistence, in which there exists a saturated flow. Some particular cases are simulated. (author)

Energy efficiency in process plants with emphasis on heat exchanger networks : optimization, thermodynamics and insight

Energy Technology Data Exchange (ETDEWEB)

Anantharaman, Rahul

2011-07-01

This thesis focuses on energy recovery system design and energy integration to improve the energy efficiency of process plants. The objectives of this work are to (a) develop a systematic methodology based on thermodynamic principles to integrate energy intensive processes and (b) develop a mathematical programming based approach using thermodynamics and insight for solving industrial sized HENS problems. A novel energy integration methodology, Energy Level Composite Curves (ELCC), has been developed that is a synergy of Exergy Analysis and Composite Curves. ELCC is a graphical tool which provides the engineer with insights on energy integration and this work represents the first methodological attempt to represent thermal, mechanical and chemical energy in a graphical form similar to composite curves for the thermal integration of energy intensive processes. This method provides physical insight to integrate energy sources with sinks. The methodology is useful as a screening tool, functioning as an idea generator prior to the heat and power integration step. A simple energy targeting algorithm is developed to obtain utility targets. The ELCC was applied to a methanol plant to show the efficacy of the methodology.The Sequential Framework, an iterative and sequential methodology for Heat Exchanger Network Synthesis (HENS), is presented in this thesis. The main objective of the Sequential Framework is to solve industrial size problems. The subtasks of the design process are solved sequentially using Mathematical Programming. There are two main advantages of the methodology. First, the design procedure is, to a large extent, automated while keeping significant user interaction. Second, the subtasks of the framework (MILP and NLP problems) are much easier to solve numerically than the MINLP models that have been suggested for HENS. Application of the Sequential Framework to literature examples showed that the methodology generated solutions with total annualized costs

Gluon exchange in elastic hadron scattering

International Nuclear Information System (INIS)

Jenkovszky, L.L.; Paccanoni, F.; Chikovani, Z.E.

1991-01-01

It is generally accepted that the Pomeron, which determines the long-range component of the strong interaction, corresponds to exchange of gluons with the corresponding quantum numbers (the minimum number of such gluons is two). The C-odd partner of the Pomeron, the odderon, corresponds to exchange of an odd number of gluons (three or more). By means of a model of the nonperturbative gluon propagator, restrictions are obtained on the parameters of two-gluon (Pomeron) and three-gluon (odderon) exchange in hadron scattering. In the framework of this model an interpretation is proposed for the various asymptotic regimes in the behavior of the total cross section and of the differential cross section of elastic scattering at high energies

Exchange effects in Relativistic Schroedinger Theory

International Nuclear Information System (INIS)

Sigg, T.; Sorg, M.

1998-01-01

The Relativistic Schroedinger Theory predicts the occurrence of exchange and overlap effects in many-particle systems. For a 2-particle system, the interaction energy of the two particles consists of two contributions: Coulomb energy and exchange energy, where the first one is revealed to be the same as in standard quantum theory. However the exchange energy is mediated by an exchange potential, contrary to the kinematical origin of the exchange term in the standard theory

Modelling world gold prices and USD foreign exchange relationship using multivariate GARCH model

Science.gov (United States)

Ping, Pung Yean; Ahmad, Maizah Hura Binti

2014-12-01

World gold price is a popular investment commodity. The series have often been modeled using univariate models. The objective of this paper is to show that there is a co-movement between gold price and USD foreign exchange rate. Using the effect of the USD foreign exchange rate on the gold price, a model that can be used to forecast future gold prices is developed. For this purpose, the current paper proposes a multivariate GARCH (Bivariate GARCH) model. Using daily prices of both series from 01.01.2000 to 05.05.2014, a causal relation between the two series understudied are found and a bivariate GARCH model is produced.

Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit

International Nuclear Information System (INIS)

Zhou, Yongxi; Ernzerhof, Matthias; Bahmann, Hilke

2015-01-01

Drawing on the adiabatic connection of density functional theory, exchange-correlation functionals of Kohn-Sham density functional theory are constructed which interpolate between the extreme limits of the electron-electron interaction strength. The first limit is the non-interacting one, where there is only exchange. The second limit is the strong correlated one, characterized as the minimum of the electron-electron repulsion energy. The exchange-correlation energy in the strong-correlation limit is approximated through a model for the exchange-correlation hole that is referred to as nonlocal-radius model [L. O. Wagner and P. Gori-Giorgi, Phys. Rev. A 90, 052512 (2014)]. Using the non-interacting and strong-correlated extremes, various interpolation schemes are presented that yield new approximations to the adiabatic connection and thus to the exchange-correlation energy. Some of them rely on empiricism while others do not. Several of the proposed approximations yield the exact exchange-correlation energy for one-electron systems where local and semi-local approximations often fail badly. Other proposed approximations generalize existing global hybrids by using a fraction of the exchange-correlation energy in the strong-correlation limit to replace an equal fraction of the semi-local approximation to the exchange-correlation energy in the strong-correlation limit. The performance of the proposed approximations is evaluated for molecular atomization energies, total atomic energies, and ionization potentials

Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham Theory.

Science.gov (United States)

Sharpe, Daniel J; Levy, Mel; Tozer, David J

2018-02-13

Levy and Zahariev [Phys. Rev. Lett. 113 113002 (2014)] have proposed a new approach for performing density functional theory calculations, termed direct energy Kohn-Sham (DEKS) theory. In this approach, the electronic energy equals the sum of orbital energies, obtained from Kohn-Sham-like orbital equations involving a shifted Hartree-exchange-correlation potential, which must be approximated. In the present study, density scaling homogeneity considerations are used to facilitate DEKS calculations on a series of atoms and molecules, leading to three nonlocal approximations to the shifted potential. The first two rely on preliminary Kohn-Sham calculations using a standard generalized gradient approximation (GGA) exchange-correlation functional and the results illustrate the benefit of describing the dominant Hartree component of the shift exactly. A uniform electron gas analysis is used to eliminate the need for these preliminary Kohn-Sham calculations, leading to a potential with an unconventional form that yields encouraging results, providing strong motivation for further research in DEKS theory.

European energy exchanges: Too many casino's and too little time

International Nuclear Information System (INIS)

Zewald, H.

2001-01-01

The European energy market has the potential of developing into a booming business, and not just for Europeans. Now that liberalization is seriously taking shape and internet trade has overcome its teething troubles, the Europeans are setting up one exchange after another and the Americans are crossing the Atlantic with a lot of dollar signs in front of their eyes to play poker or roulette. 1 ref

Modeling and estimating the jump risk of exchange rates: Applications to RMB

Science.gov (United States)

Wang, Yiming; Tong, Hanfei

2008-11-01

In this paper we propose a new type of continuous-time stochastic volatility model, SVDJ, for the spot exchange rate of RMB, and other foreign currencies. In the model, we assume that the change of exchange rate can be decomposed into two components. One is the normally small-cope innovation driven by the diffusion motion; the other is a large drop or rise engendered by the Poisson counting process. Furthermore, we develop a MCMC method to estimate our model. Empirical results indicate the significant existence of jumps in the exchange rate. Jump components explain a large proportion of the exchange rate change.

An Econometric Diffusion Model of Exchange Rate Movements within a Band - Implications for Interest Rate Differential and Credibility of Exchange Rate Policy

OpenAIRE

Rantala, Olavi

1992-01-01

The paper presents a model ofexchange rate movements within a specified exchange rate band enforced by central bank interventions. The model is based on the empirical observation that the exchange rate has usually been strictly inside the band, at least in Finland. In this model the distribution of the exchange rate is truncated lognormal from the edges towards the center of the band and hence quite different from the bimodal distribution of the standard target zone model. The model is estima...

Experimental test of exchange degeneracy in hypercharge exchange reactions

International Nuclear Information System (INIS)

Moffeit, K.C.

1978-10-01

Two pairs of line-reversed reactions π + P → K + Σ + , K - p → π - Σ + and π + p → K + Y* + (1385), K - p → π - Y* + (1385) provide an experimental test of exchange degeneracy in hypercharge exchange reactions. From their study it is concluded that in contrast to the lower energy data, the 11.5 results for the two pairs of reactions are consistent with exchange degeneracy predictions for both helicity-flip and nonflip amplitudes. The Y(1385) decay angular distributions indicate that the quark model and Stodolsky--Sakurai predictions are in agreement with the main features of the data. However, small violations are observed at small momentum transfer. While the Y(1385) vertex is helicity-flip dominated, the nonvanishing of T/sub 3/2 - 1/2/ and T/sub -3/2 1/2/ suggests some finite helicity nonflip contribution in the forward direction. 23 references

A Continuous-Time Model for Valuing Foreign Exchange Options

Directory of Open Access Journals (Sweden)

James J. Kung

2013-01-01

Full Text Available This paper makes use of stochastic calculus to develop a continuous-time model for valuing European options on foreign exchange (FX when both domestic and foreign spot rates follow a generalized Wiener process. Using the dollar/euro exchange rate as input for parameter estimation and employing our FX option model as a yardstick, we find that the traditional Garman-Kohlhagen FX option model, which assumes constant spot rates, values incorrectly calls and puts for different values of the ratio of exchange rate to exercise price. Specifically, it undervalues calls when the ratio is between 0.70 and 1.08, and it overvalues calls when the ratio is between 1.18 and 1.30, whereas it overvalues puts when the ratio is between 0.70 and 0.82, and it undervalues puts when the ratio is between 0.86 and 1.30.

A two-particle exchange interaction model

International Nuclear Information System (INIS)

Lyubina, Julia; Mueller, Karl-Hartmut; Wolf, Manfred; Hannemann, Ullrich

2010-01-01

The magnetisation reversal of two interacting particles was investigated within a simple model describing exchange coupling of magnetically uniaxial single-domain particles. Depending on the interaction strength W, the reversal may be cooperative or non-cooperative. A non-collinear reversal mode is obtained even for two particles with parallel easy axes. The model yields different phenomena as observed in spring magnets such as recoil hysteresis in the second quadrant of the field-magnetisation-plane, caused by exchange bias, as well as the mentioned reversal-rotation mode. The Wohlfarth's remanence analysis performed on aggregations of such pairs of interacting particles shows that the deviation δM(H m ) usually being considered as a hallmark of magnetic interaction vanishes for all maximum applied fields H m not only at W=0, but also for sufficiently large values of W. Furthermore, this so-called δM-plot depends on whether the sample is ac-field or thermally demagnetised.

A two-particle exchange interaction model

Energy Technology Data Exchange (ETDEWEB)

Lyubina, Julia, E-mail: j.lyubina@ifw-dresden.d [IFW Dresden, Institute for Metallic Materials, P.O. Box 270016, D-01171 Dresden (Germany); Mueller, Karl-Hartmut; Wolf, Manfred; Hannemann, Ullrich [IFW Dresden, Institute for Metallic Materials, P.O. Box 270016, D-01171 Dresden (Germany)

2010-10-15

The magnetisation reversal of two interacting particles was investigated within a simple model describing exchange coupling of magnetically uniaxial single-domain particles. Depending on the interaction strength W, the reversal may be cooperative or non-cooperative. A non-collinear reversal mode is obtained even for two particles with parallel easy axes. The model yields different phenomena as observed in spring magnets such as recoil hysteresis in the second quadrant of the field-magnetisation-plane, caused by exchange bias, as well as the mentioned reversal-rotation mode. The Wohlfarth's remanence analysis performed on aggregations of such pairs of interacting particles shows that the deviation {delta}M(H{sub m}) usually being considered as a hallmark of magnetic interaction vanishes for all maximum applied fields H{sub m} not only at W=0, but also for sufficiently large values of W. Furthermore, this so-called {delta}M-plot depends on whether the sample is ac-field or thermally demagnetised.

A multi-species exchange model for fully fluctuating polymer field theory simulations.

Science.gov (United States)

Düchs, Dominik; Delaney, Kris T; Fredrickson, Glenn H

2014-11-07

Field-theoretic models have been used extensively to study the phase behavior of inhomogeneous polymer melts and solutions, both in self-consistent mean-field calculations and in numerical simulations of the full theory capturing composition fluctuations. The models commonly used can be grouped into two categories, namely, species models and exchange models. Species models involve integrations of functionals that explicitly depend on fields originating both from species density operators and their conjugate chemical potential fields. In contrast, exchange models retain only linear combinations of the chemical potential fields. In the two-component case, development of exchange models has been instrumental in enabling stable complex Langevin (CL) simulations of the full complex-valued theory. No comparable stable CL approach has yet been established for field theories of the species type. Here, we introduce an extension of the exchange model to an arbitrary number of components, namely, the multi-species exchange (MSE) model, which greatly expands the classes of soft material systems that can be accessed by the complex Langevin simulation technique. We demonstrate the stability and accuracy of the MSE-CL sampling approach using numerical simulations of triblock and tetrablock terpolymer melts, and tetrablock quaterpolymer melts. This method should enable studies of a wide range of fluctuation phenomena in multiblock/multi-species polymer blends and composites.

FY 2000 report on information exchanges/analytical survey for improvement of energy consumption efficiency; 2000 nendo energy shohi koritsuka joho kokan bunseki chosa hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

2001-03-01

For the purpose of surveying the situation of the arrangement of methods of energy conservation promotion and the emissions trading system in developing countries by Japan having the effectiveness or in cooperation with developed countries, information was collected through the participation in international conferences related to energy conservation promotion, etc. and by visits at governmental organizations in charge in developed countries and developing countries. The results of the survey were classified into the following four items: 1) survey method; 2) exchanges of information on energy conservation in main 3 developing counties; 3) exchanges of information of energy conservation in the main developed countries; 4) exchanges of information of the emissions trading system (international trading system of energy conservation values (greenhouse effect gas emission right)). In 4), survey was made on the following: the emissions trading system for the inside of company group (BP-Amoco), the details of the emissions trading system for one country (the U.K.), the grapple with the emissions trading by a private trading organization (NATSOURCE Co.), and the handle with the emissions trading system by each of the OECD countries. (NEDO)

Action dependent heuristic dynamic programming based residential energy scheduling with home energy inter-exchange

International Nuclear Information System (INIS)

Xu, Yancai; Liu, Derong; Wei, Qinglai

2015-01-01

Highlights: • The algorithm is developed in the two-household energy management environment. • We develop the absent energy penalty cost for the first time. • The algorithm has ability to keep adapting in real-time operations. • Its application can lower total costs and achieve better load balancing. - Abstract: Residential energy scheduling is a hot topic nowadays in the background of energy saving and environmental protection worldwide. To achieve this objective, a new residential energy scheduling algorithm is developed for energy management, based on action dependent heuristic dynamic programming. The algorithm works under the circumstance of residential real-time pricing and two adjacent housing units with energy inter-exchange, which can reduce the overall cost and enhance renewable energy efficiency after long-term operation. It is designed to obtain the optimal control policy to manage the directions and amounts of electricity energy flux. The algorithm’s architecture is mainly constructed based on neural networks, denoting the learned characteristics in the linkage of layers. To get close to real situations, many constraints such as maximum charging/discharging power of batteries are taken into account. The absent energy penalty cost is developed for the first time as a part of the performance index function. When the environment changes, the residential energy scheduling algorithm gains new features and keeps adapting in real-time operations. Simulation results show that the developed algorithm is beneficial to energy conversation

Numerical investigation of the energy performance of a guideless irregular heat and mass exchanger with corrugated heat transfer surface for dew point cooling

International Nuclear Information System (INIS)

Xu, Peng; Ma, Xiaoli; Diallo, Thierno M.O.; Zhao, Xudong; Fancey, Kevin; Li, Deying; Chen, Hongbing

2016-01-01

The paper presents an investigation into the energy performance of a novel irregular heat and mass exchanger for dew point cooling which, compared to the existing flat-plate heat exchangers, removed the use of the channel supporting guides and implemented the corrugated heat transfer surface, thus expecting to achieve the reduced air flow resistance, increased heat transfer area, and improved energy efficiency (i.e. Coefficient of Performance (COP)) of the air cooling process. CFD simulation was carried out to determine the flow resistance (K) factors of various elements within the dry and wet channels of the exchanger, while the ‘finite-element’ based ‘Newton-iteration’ numerical simulation was undertaken to investigate its cooling capacity, cooling effectiveness and COP at various geometrical and operational conditions. Compared to the existing flat-plate heat and mass exchangers with the same geometrical dimensions and operational conditions, the new irregular exchanger could achieve 32.9%–37% higher cooling capacity, dew-point and wet-bulb effectiveness, 29.7%–33.3% higher COP, and 55.8%–56.2% lower pressure drop. While undertaking dew point air cooling, the irregular heat and mass exchanger had the optimum air velocity of 1 m/s within the flow channels and working-to-intake air ratio of 0.3, which allowed the highest cooling capacity and COP to be achieved. In terms of the exchanger dimensions, the optimum height of the channel was 5 mm while its length was in the range 1–2 m. Overall, the proposed irregular heat and mass exchanger could lead to significant enhanced energy performance compared to the existing flat-plate dew point cooling heat exchanger of the same geometrical dimensions. To achieve the same amount cooling output, the irregular heat and mass exchanger had the reduced size and cost against the flat-plate ones. - Highlights: • Numerical investigation of an irregular heat and mass exchanger was undertaken. • A �

Magnetoelastic effect in an exchange model

International Nuclear Information System (INIS)

Vallejo, E.

2009-01-01

The effect of the interplay between magnetism, charge ordering and lattice distortion within a like double and super-exchange model is studied in low-dimensional systems. An important magnetoelastic effect that leads to a lattice contraction is presented in conjunction with an analytical minimization for a three-site one-dimensional model. The model is discussed in connection with the magnetism, charge ordering and the contraction of the rungs experimentally observed within the three-leg ladders (3LL) present in the oxyborate Fe 3 O 2 BO 3

Bayesian analysis for exponential random graph models using the adaptive exchange sampler

KAUST Repository

Jin, Ick Hoon

2013-01-01

Exponential random graph models have been widely used in social network analysis. However, these models are extremely difficult to handle from a statistical viewpoint, because of the existence of intractable normalizing constants. In this paper, we consider a fully Bayesian analysis for exponential random graph models using the adaptive exchange sampler, which solves the issue of intractable normalizing constants encountered in Markov chain Monte Carlo (MCMC) simulations. The adaptive exchange sampler can be viewed as a MCMC extension of the exchange algorithm, and it generates auxiliary networks via an importance sampling procedure from an auxiliary Markov chain running in parallel. The convergence of this algorithm is established under mild conditions. The adaptive exchange sampler is illustrated using a few social networks, including the Florentine business network, molecule synthetic network, and dolphins network. The results indicate that the adaptive exchange algorithm can produce more accurate estimates than approximate exchange algorithms, while maintaining the same computational efficiency.

Zeroth-order exchange energy as a criterion for optimized atomic basis sets in interatomic force calculations

International Nuclear Information System (INIS)

Varandas, A.J.C.

1980-01-01

A suggestion is made for using the zeroth-order exchange term, at the one-exchange level, in the perturbation development of the interaction energy as a criterion for optmizing the atomic basis sets in interatomic force calculations. The approach is illustrated for the case of two helium atoms. (orig.)

Derivation of the tunnelling exchange time for the model of trap-assisted tunnelling

International Nuclear Information System (INIS)

Racko, J.; Ballo, P.; Benko, P.; Harmatha, L.; Grmanova, A.; Breza, J.

2014-01-01

We present derivation of the tunnelling exchange times that play the key role in the model of trap assisted tunnelling (TAT) considering the electron and hole exchange processes between the trapping centre lying in the forbidden band of the semiconductor and the conduction band, valence band or a metal. All exchange processes are quantitatively described by respective exchange times. The reciprocal values of these exchange times represent the frequency with which the exchange processes contribute to the probability of occupation of the trap by free charge carriers. The crucial problem in any model of TAT is the calculation of the occupation probability. In our approach this probability is expressed in terms of only thermal and tunnelling exchange times. The concept of tunnelling exchange times presents a dominant contribution to our model of TAT. The new approach allows to simply calculate the probability of occupation of the trapping centre by a free charge carrier and subsequently to get the thermal and tunnelling generation-recombination rates occurring in the continuity equations. This is why the TAT model based on thermal and tunnelling exchange times is suitable for simulating the electrical properties of semiconductor nanostructures in which quantum mechanical phenomena play a key role. (authors)

Theoretical interpretation of the nuclear magnetic properties of solid 3He in the context of a four-spin exchange model

International Nuclear Information System (INIS)

Roger, Michel.

1980-06-01

The model presented in this thesis, with only two adjustable parameters, is alone able to account quantitatively for all the results described in chapter I and interpreted in chapter II. The development of this model was based originally on two essential ideas: - the simple model given in introduction suggests that in a hard-sphere quantum solid, three- and four-particle exchanges may be as important and even more favourable than two-atom exchanges. - By accounting for four-spin exchange terms in the Hamiltonian of the system, fourth power terms of the order parameter (polarisation) liable to give first-order transitions are introduced into the equation of free energy in a molecular field. On the basis of these two ideas the thesis is arranged in two parts: 1) Part one (ch. III to VIII) analyses the consequences, from the viewpoint of magnetic and thermodynamic properties, of a phenomenological Hamiltonian including four-spin exchanges. 2) The aim of part two is to estimate from microscopic equations the hierarchy amongst 2, 3 and 4-particle exchanges. A new approach, due to J.M. Delrieu, is proposed for a realistic wave function approximation accounting for the geometric correlations between hard cores. Reasons are given to justify the existence of a strong four-particle exchange in body-centred cubic 3 He. In a compact hexagonal lattice on the other hand the three-particle exchange is shown to be predominant. However three-particle exchanges promote ferromagnetism, so an ordered ferromagnetic phase is foreseen for compact hexagonal 3 He. A crucial test for our model would be to measure the sign of the Curie-Weiss constant in c.h. 3 He [fr

Determination of Ground Heat Exchangers Temperature Field in Geothermal Heat Pumps

Science.gov (United States)

Zhurmilova, I.; Shtym, A.

2017-11-01

For the heating and cooling supply of buildings and constructions geothermal heat pumps using low-potential ground energy are applied by means of ground exchangers. The process of heat transfer in a system of ground exchangers is a phenomenon of complex heat transfer. The paper presents a mathematical modeling of heat exchange processes, the temperature fields are built which are necessary for the determination of the ground array that ensures an adequate supply of low potential energy excluding the freezing of soil around the pipes in the ground heat exchangers and guaranteeing a reliable operation of geothermal heat pumps.

Closed Loop Brain Model of Neocortical Information Based Exchange

Directory of Open Access Journals (Sweden)

James eKozloski

2016-01-01

Full Text Available Here we describe an information based exchange' model of brain function that ascribes to neocortex, basal ganglia, and thalamus distinct network functions. The model allows us to analyze whole brain system set point measures, such as the rate and heterogeneity of transitions in striatum and neocortex, in the context of neuromodulation and other perturbations. Our closed-loop model is grounded in neuroanatomical observations, proposing a novel Grand Loop through neocortex, and invokes different forms of plasticity at specific tissue interfaces and their principle cell synapses to achieve these transitions. By implementing a system for maximum information based exchange of action potentials between modeled neocortical areas, we observe changes to these measures in simulation. We hypothesize that similar dynamic set points and modulations exist in the brain's resting state activity, and that different modifications to information based exchange may shift the risk profile of different component tissues, resulting in different neurodegenerative diseases. This model is targeted for further development using IBM's Neural Tissue Simulator, which allows scalable elaboration of networks, tissues, and their neural and synaptic components towards ever greater complexity and biological realism.

Improvement of a land surface model for accurate prediction of surface energy and water balances

International Nuclear Information System (INIS)

Katata, Genki

2009-02-01

In order to predict energy and water balances between the biosphere and atmosphere accurately, sophisticated schemes to calculate evaporation and adsorption processes in the soil and cloud (fog) water deposition on vegetation were implemented in the one-dimensional atmosphere-soil-vegetation model including CO 2 exchange process (SOLVEG2). Performance tests in arid areas showed that the above schemes have a significant effect on surface energy and water balances. The framework of the above schemes incorporated in the SOLVEG2 and instruction for running the model are documented. With further modifications of the model to implement the carbon exchanges between the vegetation and soil, deposition processes of materials on the land surface, vegetation stress-growth-dynamics etc., the model is suited to evaluate an effect of environmental loads to ecosystems by atmospheric pollutants and radioactive substances under climate changes such as global warming and drought. (author)

Ground-state energies and highest occupied eigenvalues of atoms in exchange-only density-functional theory

Science.gov (United States)

Li, Yan; Harbola, Manoj K.; Krieger, J. B.; Sahni, Viraht

1989-11-01

The exchange-correlation potential of the Kohn-Sham density-functional theory has recently been interpreted as the work required to move an electron against the electric field of its Fermi-Coulomb hole charge distribution. In this paper we present self-consistent results for ground-state total energies and highest occupied eigenvalues of closed subshell atoms as obtained by this formalism in the exchange-only approximation. The total energies, which are an upper bound, lie within 50 ppm of Hartree-Fock theory for atoms heavier than Be. The highest occupied eigenvalues, as a consequence of this interpretation, approximate well the experimental ionization potentials. In addition, the self-consistently calculated exchange potentials are very close to those of Talman and co-workers [J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976); K. Aashamar, T. M. Luke, and J. D. Talman, At. Data Nucl. Data Tables 22, 443 (1978)].

Off-shell pairing correlations from meson-exchange theory of nuclear forces

International Nuclear Information System (INIS)

Sedrakian, Armen

2003-01-01

We develop a model of off-mass-shell pairing correlations in nuclear systems, which is based on the meson-exchange picture of nuclear interactions. The temporal retardations in the model are generated by the Fock-exchange diagrams. The kernel of the complex gap equation for baryons is related to the in-medium spectral function of mesons, which is evaluated nonperturbatively in the random phase approximation. The model is applied to the low-density neutron matter in neutron star crusts by separating the interaction into a long-range one-pion-exchange component and a short-range component parametrized in terms of Landau Fermi liquid parameters. The resulting Eliashberg-type coupled nonlinear integral equations are solved by an iterative procedure. We find that the self-energies extend to off-shell energies of the order of several tens of MeV. At low energies the damping of the neutron pair correlations due to the coupling to the pionic modes is small, but becomes increasingly important as the energy is increased. We discuss an improved quasiclassical approximation under which the numerical solutions are obtained

CONTINUOUS MODELING OF FOREIGN EXCHANGE RATE OF USD VERSUS TRY

Directory of Open Access Journals (Sweden)

Yakup Arı

2011-01-01

Full Text Available This study aims to construct continuous-time autoregressive (CAR model and continuous-time GARCH (COGARCH model from discrete time data of foreign exchange rate of United States Dollar (USD versus Turkish Lira (TRY. These processes are solutions to stochastic differential equation Lévy-driven processes. We have shown that CAR(1 and COGARCH(1,1 processes are proper models to represent foreign exchange rate of USD and TRY for different periods of time February 2002- June 2010.

Multiphysics Numerical Modeling of a Fin and Tube Heat Exchanger

DEFF Research Database (Denmark)

Singh, Shobhana; Sørensen, Kim; Condra, Thomas Joseph

2015-01-01

In the present research work, a modeling effort to predict the performance of a liquid-gas type fin and tube heat exchanger design is made. Three dimensional (3D) steady state numerical model is developed using commercial software COMSOL Multiphysics based on finite element method (FEM......). For the purposes here, only gas flowing over the fin side is simulated assuming constant inner tube wall temperature. The study couples conjugate heat transfer mechanism with turbulent flow in order to describe the temperature and velocity profile. In addition, performance characteristics of the heat exchanger...... design in terms of heat transfer and pressure loss are determined by parameters such as overall heat transfer coefficient, Colburn j-factor, flow resistance factor, and efficiency index. The model provides useful insights necessary for optimization of heat exchanger design....

Recoil chemistry and solid state exchange in cobalt complexes : a new model

International Nuclear Information System (INIS)

Ramshesh, V.

1981-01-01

During the last thirty years considerable work has been done on various aspects of recoil chemistry and solid state exchange in cobalt complexes. Several interesting features such as 'oxygen effect', 'water of hydration effect', 'dilution with isomorphous materials', etc., have been observed. These data led workers to reject the older hypothesis based on 'fragmentation' and 'recombination' and suggest models based on exciton or electron induced exchange. However some recent data show that perhaps both the processes viz., thermal annealing in n-irradiated systems and solid state exchange are not bulk processes. This has led the author to propose a new model. In this model greater emphasis is placed on dissociation reactions followed by recombination and/or exchange reactions. (author)

Comparison of Methods for Computing the Exchange Energy of quantum helium and hydrogen

International Nuclear Information System (INIS)

Cayao, J. L. C. D.

2009-01-01

I investigate approach methods to find the exchange energy for quantum helium and hydrogen. I focus on Heitler-London, Hund-Mullikan, Molecular Orbital and variational approach methods. I use Fock-Darwin states centered at the potential minima as the single electron wavefunctions. Using these we build Slater determinants as the basis for the two electron problem. I do a comparison of methods for two electron double dot (quantum hydrogen) and for two electron single dot (quantum helium) in zero and finite magnetic field. I show that the variational, Hund-Mullikan and Heitler-London methods are in agreement with the exact solutions. Also I show that the exchange energy calculation by Heitler-London (HL) method is an excellent approximation for large inter dot distances and for single dot in magnetic field is an excellent approximation the Variational method. (author)

Reaction mechanism and nuclear correlations study by low energy pion double charge exchange

International Nuclear Information System (INIS)

Weinfeld, Z.

1993-06-01

In pion double-charge-exchange (DCX) reactions, a positive (negative) pion is incident on a nucleus and a negative (positive) pion emerges. These reactions are of fundamental interest since the process must involve at least two nucleons in order to conserve charge. Although two nucleon processes are present in many reactions they are usually masked by the dominant single nucleon processes. DCX is unique in that respect since it is a two nucleon process in lowest order and thus may be sensitive to two-nucleon correlations. Measurements of low energy pion double-charge-exchange reactions to the double-isobaric-analog-state (DIAS) and ground-state (GS) of the residual nucleus provide new means for studying nucleon-nucleon correlations in nuclei. At low energies (T π 7/2 shell at energies ranging from 25 to 65 MeV. Cross sections were measured on 42,44,48 Ca, 46,50 Ti and 54 Fe. The calcium isotopes make a good set of nuclei on which to study the effects of correlations in DCX reactions

Energy exchange analysis in droplet dynamics via the Navier–Stokes–Cahn–Hilliard model

KAUST Repository

Espath, L. F. R.; Sarmiento, Adel; Vignal, Philippe; Varga, B. O. N.; Cortes, Adriano Mauricio; Dalcin, Lisandro; Calo, Victor M.

2016-01-01

We develop the energy budget equation of the coupled Navier-Stokes-Cahn-Hilliard (NSCH) system. We use the NSCH equations to model the dynamics of liquid droplets in a liquid continuum. Buoyancy effects are accounted for through the Boussinesq

Colour-singlet exchange and tests of models of diffractive DIS

International Nuclear Information System (INIS)

Williams, J.C.

2000-03-01

Diffractive deep-inelastic scattering events observed at the HERA electron-proton collider are interpreted as an interaction involving a virtual photon scattering off a colour-singlet state within the proton. Models which attempt to describe the colour-singlet exchanged in diffractive interactions range from the purely phenomenological Donnachie-Landshoff form factor approach to the QCD-motivated gluon-exchange models and the scalar-pomeron model. It is important to find ways to test these models. In this thesis colour-singlet exchange models of diffractive DIS are compared with cross section and structure function data from the H1 detector. H1 select diffractive data by requiring there to be a large angle between the forward proton direction and any other significant detector activity. This pseudo-rapidity gap cut extracts colour-singlet exchange events from the standard DIS data sample. For a wide range of the parameter space covered by the HERA experiments, however, the pseudo-rapidity gap cuts restrict the final-state phase space available for diffractive scattering. One consequence is that pseudo-rapidity gap cuts can be used to select diffractive events in which the colour-singlet only couples to off-shell partons. To leading order in the strong coupling constant, the diffractive final state consists of a quark-antiquark pair. Higher-order events include diffractive production of quark-antiquark-gluon states. In the region where pseudo-rapidity gap cuts restrict the accessible phase space, the cuts reject low transverse momentum quark-antiquark diffractive events. Pseudo-rapidity gap data selection cuts also allow selection of an enhanced 3-jet data sample. The structure function and transverse momentum distribution data can be described by either a two-gluon model or by the Donnachie-Landshoff model, both models requiring a significant contribution from quark-antiquark-gluon diffractive final states to fit the full kinematic range of the diffractive data

J/Ψ and φ Electro-production in Pomeron Exchange Model

International Nuclear Information System (INIS)

Liu Baorong; Tan Zhenqiang; Gu Yunting; He Xiaorong; Zhou Lijuan; Ma Weixing

2007-01-01

Based on Pomeron exchange model, J/Ψ and φ production in electro-proton interaction are investigated with both linear and non-linear Pomeron trajectory. The experimental differential cross sections measured as a function of the kinematic variable Q 2 ,W and t are reproduced successfully in the model. Our conclusions are that the Pomeron exchange model is a successful description of J/Ψ and φ electro-productions on the proton, and that the linear trajectory is a good approximation to non-linearity of the Pomeron trajectory.

Critique of a pion exchange model for interquark forces

International Nuclear Information System (INIS)

Isgur, Nathan

2000-01-01

I describe four serious defects of a widely discussed pion exchange model for interquark forces: it does not solve the ''spin-orbit problem'' as advertised, it fails to describe the internal structure of baryon resonances, it leads to disastrous conclusions when extended to mesons, and it is not reasonably connected to the physics of heavy-light systems. While extensions of the original pion exchange model may be able to correct these defects, this catalogue of criticisms defines some of the most formidable problems such elaborations must address. (c) 2000 The American Physical Society

Incorporating water-release and lateral protein interactions in modeling equilibrium adsorption for ion-exchange chromatography.

Science.gov (United States)

Thrash, Marvin E; Pinto, Neville G

2006-09-08

The equilibrium adsorption of two albumin proteins on a commercial ion exchanger has been studied using a colloidal model. The model accounts for electrostatic and van der Waals forces between proteins and the ion exchanger surface, the energy of interaction between adsorbed proteins, and the contribution of entropy from water-release accompanying protein adsorption. Protein-surface interactions were calculated using methods previously reported in the literature. Lateral interactions between adsorbed proteins were experimentally measured with microcalorimetry. Water-release was estimated by applying the preferential interaction approach to chromatographic retention data. The adsorption of ovalbumin and bovine serum albumin on an anion exchanger at solution pH>pI of protein was measured. The experimental isotherms have been modeled from the linear region to saturation, and the influence of three modulating alkali chlorides on capacity has been evaluated. The heat of adsorption is endothermic for all cases studied, despite the fact that the net charge on the protein is opposite that of the adsorbing surface. Strong repulsive forces between adsorbed proteins underlie the endothermic heat of adsorption, and these forces intensify with protein loading. It was found that the driving force for adsorption is the entropy increase due to the release of water from the protein and adsorbent surfaces. It is shown that the colloidal model predicts protein adsorption capacity in both the linear and non-linear isotherm regions, and can account for the effects of modulating salt.

Information exchange of the Atomic Energy Society of Japan with nuclear societies worldwide

International Nuclear Information System (INIS)

Hori, Masao; Tomita, Yasushi

2000-01-01

The Atomic Energy Society of Japan (AESJ) exchanges information with nuclear societies worldwide by intersocietal communication through international councils of nuclear societies and through bilateral agreements between foreign societies and by such media as international meetings, publications, and Internet applications

Stochastic volatility and multi-dimensional modeling in the European energy market

Energy Technology Data Exchange (ETDEWEB)

Vos, Linda

2012-07-01

In energy prices there is evidence for stochastic volatility. Stochastic volatility has effect on the price of path-dependent options and therefore has to be modeled properly. We introduced a multi-dimensional non-Gaussian stochastic volatility model with leverage which can be used in energy pricing. It captures special features of energy prices like price spikes, mean-reversion, stochastic volatility and inverse leverage. Moreover it allows modeling dependencies between different commodities.The derived forward price dynamics based on this multi-variate spot price model, provides a very flexible structure. It includes cotango, backwardation and hump shape forward curves.Alternatively energy prices could be modeled by a 2-factor model consisting of a non-Gaussian stable CARMA process and a non-stationary trend models by a Levy process. Also this model is able to capture special features like price spikes, mean reversion and the low frequency dynamics in the market. An robust L1-filter is introduced to filter out the states of the CARMA process. When applying to German electricity EEX exchange data an overall negative risk-premium is found. However close to delivery a positive risk-premium is observed.(Author)

Thermal performance modeling of cross-flow heat exchangers

CERN Document Server

Cabezas-Gómez, Luben; Saíz-Jabardo, José Maria

2014-01-01

This monograph introduces a numerical computational methodology for thermal performance modeling of cross-flow heat exchangers, with applications in chemical, refrigeration and automobile industries. This methodology allows obtaining effectiveness-number of transfer units (e-NTU) data and has been used for simulating several standard and complex flow arrangements configurations of cross-flow heat exchangers. Simulated results have been validated through comparisons with results from available exact and approximate analytical solutions. Very accurate results have been obtained over wide ranges

Multilinear Model of Heat Exchanger with Hammerstein Structure

Directory of Open Access Journals (Sweden)

Dragan Pršić

2016-01-01

Full Text Available The multilinear model control design approach is based on the approximation of the nonlinear model of the system by a set of linear models. The paper presents the method of creation of a bank of linear models of the two-pass shell and tube heat exchanger. The nonlinear model is assumed to have a Hammerstein structure. The set of linear models is formed by decomposition of the nonlinear steady-state characteristic by using the modified Included Angle Dividing method. Two modifications of this method are proposed. The first one refers to the addition to the algorithm for decomposition, which reduces the number of linear segments. The second one refers to determination of the threshold value. The dependence between decomposition of the nonlinear characteristic and the linear dynamics of the closed-loop system is established. The decoupling process is more formal and it can be easily implemented by using software tools. Due to its simplicity, the method is particularly suitable in complex systems, such as heat exchanger networks.

Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization.

Science.gov (United States)

Laqua, Henryk; Kussmann, Jörg; Ochsenfeld, Christian

2018-03-28

The correct description of multi-reference electronic ground states within Kohn-Sham density functional theory (DFT) requires an ensemble-state representation, employing fractionally occupied orbitals. However, the use of fractional orbital occupation leads to non-normalized exact-exchange holes, resulting in large fractional-spin errors for conventional approximative density functionals. In this communication, we present a simple approach to directly include the exact-exchange-hole normalization into DFT. Compared to conventional functionals, our model strongly improves the description for multi-reference systems, while preserving the accuracy in the single-reference case. We analyze the performance of our proposed method at the example of spin-averaged atoms and spin-restricted bond dissociation energy surfaces.

Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization

Science.gov (United States)

Laqua, Henryk; Kussmann, Jörg; Ochsenfeld, Christian

2018-03-01

The correct description of multi-reference electronic ground states within Kohn-Sham density functional theory (DFT) requires an ensemble-state representation, employing fractionally occupied orbitals. However, the use of fractional orbital occupation leads to non-normalized exact-exchange holes, resulting in large fractional-spin errors for conventional approximative density functionals. In this communication, we present a simple approach to directly include the exact-exchange-hole normalization into DFT. Compared to conventional functionals, our model strongly improves the description for multi-reference systems, while preserving the accuracy in the single-reference case. We analyze the performance of our proposed method at the example of spin-averaged atoms and spin-restricted bond dissociation energy surfaces.

Modeling canopy CO2 exchange in the European Russian Arctic

DEFF Research Database (Denmark)

Kiepe, Isabell; Friborg, Thomas; Herbst, Mathias

2013-01-01

In this study, we use the coupled photosynthesis-stomatal conductance model of Collatz et al. (1991) to simulate the current canopy carbon dioxide exchange of a heterogeneous tundra ecosystem in European Russia. For the parameterization, we used data obtained from in situ leaf level measurements...... in combination with meteorological data from 2008. The modeled CO2 fluxes were compared with net ecosystem exchange (NEE), measured by the eddy covariance technique during the snow-free period in 2008. The findings from this study indicated that the main state parameters of the exchange processes were leaf area...... index (LAI) and Rubisco capacity (v(cmax)). Furthermore, this ecosystem was found to be functioning close to its optimum temperature regarding carbon accumulation rates. During the modeling period from May to October, the net assimilation was greater than the respiration, leading to a net accumulation...

The ‘soft’ importance of energy modelling tools and their absence in Albania’s delivery strategy of energy system

International Nuclear Information System (INIS)

Qystri, Arber; Koço, Marpol

2015-01-01

Energy is essential for all human activities, and its availability is critical to economic and social development. Energy is the engine for the production of goods and services across all economic sectors. Lack of energy is a contributing factor to the poverty of individuals, communities, nations and regions. Energy mix visions and strategies are determining an important part of our world’s future prosperity and welfare. Choices made now are important for future generations. Energy trend forecasting, scenarios and system analysis have matured into powerful modelling tools for providing advice on optimizing our future energy solutions. The choice of the model and its effectiveness for developing energy supply strategies critically depend on the underlying vision for achieving a future energy mix. Knowledge advancement and exchange are more important than ever before, because this will stimulate and optimize the vision sharing and further the integration of today’s diverse energy strategies. In this regard, in Albania there is an absence in applying this tools. This article aims to demonstrate the vital importance of this tools to create a sustainable future, moreover in Albania where the energy sector is facing financial and management difficulties and lack of vision. Key words: energy, energy models, tools, sustainable energy, energy sector, energy strategy

Stationarity test with a direct test for heteroskedasticity in exchange rate forecasting models

Science.gov (United States)

Khin, Aye Aye; Chau, Wong Hong; Seong, Lim Chee; Bin, Raymond Ling Leh; Teng, Kevin Low Lock

2017-05-01

Global economic has been decreasing in the recent years, manifested by the greater exchange rates volatility on international commodity market. This study attempts to analyze some prominent exchange rate forecasting models on Malaysian commodity trading: univariate ARIMA, ARCH and GARCH models in conjunction with stationarity test on residual diagnosis direct testing of heteroskedasticity. All forecasting models utilized the monthly data from 1990 to 2015. Given a total of 312 observations, the data used to forecast both short-term and long-term exchange rate. The forecasting power statistics suggested that the forecasting performance of ARIMA (1, 1, 1) model is more efficient than the ARCH (1) and GARCH (1, 1) models. For ex-post forecast, exchange rate was increased from RM 3.50 per USD in January 2015 to RM 4.47 per USD in December 2015 based on the baseline data. For short-term ex-ante forecast, the analysis results indicate a decrease in exchange rate on 2016 June (RM 4.27 per USD) as compared with 2015 December. A more appropriate forecasting method of exchange rate is vital to aid the decision-making process and planning on the sustainable commodities' production in the world economy.

Long Term Validity of Monetary Exchange Rate Model: Evidence from Turkey

Directory of Open Access Journals (Sweden)

Ugur Ahmet

2014-03-01

Full Text Available In this study, it was analyzed if there is a long term relationship among the nominal exchange rate and monetary fundamentals within the periods of 1998:1-2011:2 in Turkey. This relationship has been analysed by using structural VAR (SVAR model. Besides, Granger causality test and Dolado-Lütkepohl Granger causality test were used to determine if there were a causality relationship among the nominal exchange rate and monetary fundamentals. As a result of the SVAR model, the relationship among the series related to nominal exchange rate and money supply, GDP, interest rate in Turkey in long term were not determined and at the end of causality tests, causality relationship among the nominal exchange rate and monetary fundamentals were not determined.

Characteristics of energy exchange between inter- and intramolecular degrees of freedom in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with implications for coarse-grained simulations of shock waves in polyatomic molecular crystals.

Science.gov (United States)

Kroonblawd, Matthew P; Sewell, Thomas D; Maillet, Jean-Bernard

2016-02-14

In this report, we characterize the kinetics and dynamics of energy exchange between intramolecular and intermolecular degrees of freedom (DoF) in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). All-atom molecular dynamics (MD) simulations are used to obtain predictions for relaxation from certain limiting initial distributions of energy between the intra- and intermolecular DoF. The results are used to parameterize a coarse-grained Dissipative Particle Dynamics at constant Energy (DPDE) model for TATB. Each TATB molecule in the DPDE model is represented as an all-atom, rigid-molecule mesoparticle, with explicit external (molecular translational and rotational) DoF and coarse-grained implicit internal (vibrational) DoF. In addition to conserving linear and angular momentum, the DPDE equations of motion conserve the total system energy provided that particles can exchange energy between their external and internal DoF. The internal temperature of a TATB molecule is calculated using an internal equation of state, which we develop here, and the temperatures of the external and internal DoF are coupled using a fluctuation-dissipation relation. The DPDE force expression requires specification of the input parameter σ that determines the rate at which energy is exchanged between external and internal DoF. We adjusted σ based on the predictions for relaxation processes obtained from MD simulations. The parameterized DPDE model was employed in large-scale simulations of shock compression of TATB. We show that the rate of energy exchange governed by σ can significantly influence the transient behavior of the system behind the shock.

Characteristics of energy exchange between inter- and intramolecular degrees of freedom in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with implications for coarse-grained simulations of shock waves in polyatomic molecular crystals

International Nuclear Information System (INIS)

Kroonblawd, Matthew P.; Sewell, Thomas D.; Maillet, Jean-Bernard

2016-01-01

In this report, we characterize the kinetics and dynamics of energy exchange between intramolecular and intermolecular degrees of freedom (DoF) in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). All-atom molecular dynamics (MD) simulations are used to obtain predictions for relaxation from certain limiting initial distributions of energy between the intra- and intermolecular DoF. The results are used to parameterize a coarse-grained Dissipative Particle Dynamics at constant Energy (DPDE) model for TATB. Each TATB molecule in the DPDE model is represented as an all-atom, rigid-molecule mesoparticle, with explicit external (molecular translational and rotational) DoF and coarse-grained implicit internal (vibrational) DoF. In addition to conserving linear and angular momentum, the DPDE equations of motion conserve the total system energy provided that particles can exchange energy between their external and internal DoF. The internal temperature of a TATB molecule is calculated using an internal equation of state, which we develop here, and the temperatures of the external and internal DoF are coupled using a fluctuation-dissipation relation. The DPDE force expression requires specification of the input parameter σ that determines the rate at which energy is exchanged between external and internal DoF. We adjusted σ based on the predictions for relaxation processes obtained from MD simulations. The parameterized DPDE model was employed in large-scale simulations of shock compression of TATB. We show that the rate of energy exchange governed by σ can significantly influence the transient behavior of the system behind the shock

Characteristics of energy exchange between inter- and intramolecular degrees of freedom in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with implications for coarse-grained simulations of shock waves in polyatomic molecular crystals

Science.gov (United States)

Kroonblawd, Matthew P.; Sewell, Thomas D.; Maillet, Jean-Bernard

2016-02-01

In this report, we characterize the kinetics and dynamics of energy exchange between intramolecular and intermolecular degrees of freedom (DoF) in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). All-atom molecular dynamics (MD) simulations are used to obtain predictions for relaxation from certain limiting initial distributions of energy between the intra- and intermolecular DoF. The results are used to parameterize a coarse-grained Dissipative Particle Dynamics at constant Energy (DPDE) model for TATB. Each TATB molecule in the DPDE model is represented as an all-atom, rigid-molecule mesoparticle, with explicit external (molecular translational and rotational) DoF and coarse-grained implicit internal (vibrational) DoF. In addition to conserving linear and angular momentum, the DPDE equations of motion conserve the total system energy provided that particles can exchange energy between their external and internal DoF. The internal temperature of a TATB molecule is calculated using an internal equation of state, which we develop here, and the temperatures of the external and internal DoF are coupled using a fluctuation-dissipation relation. The DPDE force expression requires specification of the input parameter σ that determines the rate at which energy is exchanged between external and internal DoF. We adjusted σ based on the predictions for relaxation processes obtained from MD simulations. The parameterized DPDE model was employed in large-scale simulations of shock compression of TATB. We show that the rate of energy exchange governed by σ can significantly influence the transient behavior of the system behind the shock.

Measuring the Effects of Disturbance & Climate on the CO2 & Energy Exchange of Ponderosa Pine Forests in the Pacific Northwest: Integration of Eddy Flux, Plant and Soil Measurements

Energy Technology Data Exchange (ETDEWEB)

Beverly E. Law; Larry Mahrt

2007-01-05

The goal is to quantify and understand the influence of climate and disturbance on ecosystem processes and thus net carbon uptake by forests. The objective is to combine tower and ground-based observations to quantify the effects of disturbance on processes controlling carbon storage and CO{sub 2} and energy exchange in varying climatic conditions. Specific objectives are: (1) Investigate the effects of logging and fire on carbon storage and carbon dioxide and energy exchange in chronosequences of ponderosa pine, using consistent methodology; (2) Determine key environmental factors controlling carbon storage and carbon dioxide and energy exchange in these forests through a combination of measurements and process modeling; and (3) Assess spatial variation of the concentrations and transport in complex terrain. The eddy covariance method is used for measurements of CO2, water vapor, and energy exchanges in a chronosequence of ponderosa pine forests (burned in 2002 wildfire, 10 year-old stand, 90 year-old mature stand). The mature stand has been an AmeriFlux site since 2000 (following previous flux sites in young and old stands initiated in 1996). In addition to the eddy covariance measurements, a large suite of biological processes and ecosystem properties are determined for the purpose of developing independent forest carbon budgets and NEP estimates; these include photosynthesis, stand respiration, soil CO{sub 2} fluxes, annual litterfall, foliar chemistry, and bole increment, and soil organic matter among other parameters. The measurements are being integrated and evaluated with two ecosystem models (BIOME-BGC and SPA). Such analyses are needed to assess regional terrestrial ecosystem carbon budgets. The results will contribute scientific understanding of carbon processes, and will provide comprehensive data sets for forest managers and those preparing national carbon inventories to use in assessments of carbon sequestration in relation to interannual climate

An Experimentally Validated Numerical Modeling Technique for Perforated Plate Heat Exchangers.

Science.gov (United States)

White, M J; Nellis, G F; Kelin, S A; Zhu, W; Gianchandani, Y

2010-11-01

Cryogenic and high-temperature systems often require compact heat exchangers with a high resistance to axial conduction in order to control the heat transfer induced by axial temperature differences. One attractive design for such applications is a perforated plate heat exchanger that utilizes high conductivity perforated plates to provide the stream-to-stream heat transfer and low conductivity spacers to prevent axial conduction between the perforated plates. This paper presents a numerical model of a perforated plate heat exchanger that accounts for axial conduction, external parasitic heat loads, variable fluid and material properties, and conduction to and from the ends of the heat exchanger. The numerical model is validated by experimentally testing several perforated plate heat exchangers that are fabricated using microelectromechanical systems based manufacturing methods. This type of heat exchanger was investigated for potential use in a cryosurgical probe. One of these heat exchangers included perforated plates with integrated platinum resistance thermometers. These plates provided in situ measurements of the internal temperature distribution in addition to the temperature, pressure, and flow rate measured at the inlet and exit ports of the device. The platinum wires were deposited between the fluid passages on the perforated plate and are used to measure the temperature at the interface between the wall material and the flowing fluid. The experimental testing demonstrates the ability of the numerical model to accurately predict both the overall performance and the internal temperature distribution of perforated plate heat exchangers over a range of geometry and operating conditions. The parameters that were varied include the axial length, temperature range, mass flow rate, and working fluid.

Net modelling of energy mix among European Countries: A proposal for ruling new scenarios

International Nuclear Information System (INIS)

Dassisti, M.; Carnimeo, L.

2012-01-01

European energy policy pursues the objective of a sustainable, competitive and secure supply of energy. In 2007, the European Commission adopted an energy policy for Europe, which was supported by several documents on different aspects of energy and included an action plan to meet the major energy challenges Europe has to face. A farsighted diversified yearly mix of energies was suggested to countries, aiming at increasing security of supply and efficiency, but a wide and contemporary view of energy interchanges between states was not available. In a previous work of the same authors, energy import/export interchanges between European States were used to develop a geographic overview at one-glance. In this paper, the enhanced Interchange Energy Network (IEN) is investigated from a modelling point of view, as a Small-World Net, by supposing that connections can exist between States with a probability depending also on economic/political relations between countries. -- Highlights: ► Different view of the imports and exports of electric energy flows between European for potential use in ruling exchanges. ► Panel data from 1996 to 2008 as part of a network of exchanges was considered from Eurostat official database. ► The European import/export energy flows modelled as a network with Small-World phenomena, interpreting the evolution over the years. ► Interesting behavioural features as outcome derived, as shown for the case example of the Germany.

Optimal energy exchange of an industrial cogeneration in a day-ahead electricity market

International Nuclear Information System (INIS)

Yusta, J.M.; De Oliveira-De Jesus, P.M.; Khodr, H.M.

2008-01-01

This paper addresses an optimal strategy for the daily energy exchange of a 22-MW combined-cycle cogeneration plant of an industrial factory operating in a liberalized electricity market. The optimization problem is formulated as a Mixed-Integer Linear Programming Problem (MILP) that maximizes the profit from energy exchange of the cogeneration, and is subject to the technical constraints and the industrial demand profile. The integer variables are associated with export or import of electricity whereas the real variables relate to the power output of gas and steam turbines, and to the electricity purchased from or sold to the market. The proposal is applied to a real cogeneration plant in Spain where the detailed cost function of the process is obtained. The problem is solved using a large-scale commercial package and the results are discussed and compared with different predefined scheduling strategies. (author)

Specification of a STEP Based Reference Model for Exchange of Robotics Models

DEFF Research Database (Denmark)

Haenisch, Jochen; Kroszynski, Uri; Ludwig, Arnold

robot programming, the descriptions of geometry, kinematics, robotics, dynamics, and controller data using STEP are addressed as major goals of the project.The Project Consortium has now released the "Specificatin of a STEP Based Reference Model for Exchange of Robotics Models" on which a series......ESPRIT Project 6457: "Interoperability of Standards for Robotics in CIME" (InterRob) belongs to the Subprogram "Computer Integrated Manufacturing and Engineering" of ESPRIT, the European Specific Programme for Research and Development in Information Technology supported by the European Commision....... InterRob aims to develop an integrated solution to precision manufacturing by combining product data and database technologies with robotic off-line programming and simulation. Benefits arise from the use of high level simulation tools and developing standards for the exchange of product model data...

Tundra shrub effects on growing season energy and carbon dioxide exchange

Science.gov (United States)

Lafleur, Peter M.; Humphreys, Elyn R.

2018-05-01

Increased shrub cover on the Arctic tundra is expected to impact ecosystem-atmosphere exchanges of carbon and energy resulting in feedbacks to the climate system, yet few direct measurements of shrub tundra-atmosphere exchanges are available to corroborate expectations. Here we present energy and carbon dioxide (CO2) fluxes measured using the eddy covariance technique over six growing seasons at three closely located tundra sites in Canada’s Low Arctic. The sites are dominated by the tundra shrub Betula glandulosa, but percent cover varies from 17%–60% and average shrub height ranges from 18–59 cm among sites. The site with greatest percent cover and height had greater snow accumulation, but contrary to some expectations, it had similar late-winter albedo and snow melt dates compared to the other two sites. Immediately after snowmelt latent heat fluxes increased more slowly at this site compared to the others. Yet by the end of the growing season there was little difference in cumulative latent heat flux among the sites, suggesting evapotranspiration was not increased with greater shrub cover. In contrast, lower albedo and less soil thaw contributed to greater summer sensible heat flux at the site with greatest shrub cover, resulting in greater total atmospheric heating. Net ecosystem exchange of CO2 revealed the potential for enhanced carbon cycling rates under greater shrub cover. Spring CO2 emissions were greatest at the site with greatest percent cover of shrubs, as was summer net uptake of CO2. The seasonal net sink for CO2 was ~2 times larger at the site with the greatest shrub cover compared to the site with the least shrub cover. These results largely agree with expectations that the growing season feedback to the atmosphere arising from shrub expansion in the Arctic has the potential to be negative for CO2 fluxes but positive for turbulent energy fluxes.

Multiple direct exchange in a Yang-Mills theory at high energy

International Nuclear Information System (INIS)

McCoy, B.M.; Wu, T.T.

1976-01-01

For eighth and higher orders, we obtain the leading high-energy behavior of the sum of all one-layer Feynman diagrams in Yang-Mills theory. These are the contributions from Feynman diagrams where the two incident fast particles exchange directly Yang-Mills bosons that are much less energetic. The incident particles may be either bosons or fermions of arbitrary isospin, and the result is also generalized to include the case of the Higgs scalar. The scattering amplitudes in all these cases are closely related, and all behave as s ln/sub n/ -1 s in the 2n + 2 order. Furthermore, in this leading order for n > or = 2, the exchanged isospins are always 0 and 2, no matter how high the isospins of the incident particles are

One photon exchange processes and the calibration of polarization of high energy protons

International Nuclear Information System (INIS)

Margolis, B.; Thomas, G.H.

1978-01-01

Polarization phenomena in small momentum transfer high energy one-photon exchange processes in the reaction p + A → X + A where A is a complex nucleus and X is anything are examined. It is shown that these polarizations can be related directly to photoproduction polarization effects in the reaction γ + p → X at low energies. Explicit formulae are written for polarization effects in the case where X → π 0 + p

Modeling and simulation of protein elution in linear pH and salt gradients on weak, strong and mixed cation exchange resins applying an extended Donnan ion exchange model.

Science.gov (United States)

Wittkopp, Felix; Peeck, Lars; Hafner, Mathias; Frech, Christian

2018-04-13

Process development and characterization based on mathematic modeling provides several advantages and has been applied more frequently over the last few years. In this work, a Donnan equilibrium ion exchange (DIX) model is applied for modelling and simulation of ion exchange chromatography of a monoclonal antibody in linear chromatography. Four different cation exchange resin prototypes consisting of weak, strong and mixed ligands are characterized using pH and salt gradient elution experiments applying the extended DIX model. The modelling results are compared with the results using a classic stoichiometric displacement model. The Donnan equilibrium model is able to describe all four prototype resins while the stoichiometric displacement model fails for the weak and mixed weak/strong ligands. Finally, in silico chromatogram simulations of pH and pH/salt dual gradients are performed to verify the results and to show the consistency of the developed model. Copyright © 2018 Elsevier B.V. All rights reserved.

Evaluation of soil thermal potential under Tunisian climate using a new conic basket geothermal heat exchanger: Energy and exergy analysis

International Nuclear Information System (INIS)

Boughanmi, Hassen; Lazaar, Mariem; Farhat, Abdelhamid; Guizani, Amenallah

2017-01-01

Highlights: • Conic geothermal basket heat exchanger (CBGHE) is experimentally investigated. • Charging and discharging processes of CBGHE are evaluated. • Energy and exergy efficiencies of CBGHE are performed. • High and stable performance of surface geothermal energy in Tunisia is established. - Abstract: Geothermal heat exchangers system composed of two conic baskets serially connected is designed and realized. Both heat exchangers are made in polyethylene high-density material and have a length of 3 m each one. They will be used for greenhouse cooling and heating through a geothermal heat pump. Its conical geometry is selected to reduce the operation cost and the exploited area, compared to vertical and horizontal geothermal heat exchangers often used. It also assures the maximum of heat exchange with the soil. The aim of this study is to determine the thermal performance of one Conic Basket Geothermal Heat Exchanger (CBGHE), buried at 3 m deep, in the exploitation of the soil thermal potential, in summer. A rate of heat exchange with the soil is determined and the global heat exchange of the CBGHE is assessed. Its energy and exergy efficiencies are also evaluated using both first and second law of thermodynamic. Results show that the specific heat exchange ranges between 20 W m"−"1 and 50 W m"−"1. Maximal energetic and exergetic efficiencies of the CBGHE, equal to 62% and 37% respectively, are reached for a mass flow rate of 0.1 kg s"−"1. For this value of mass flow rate, the overall heat exchange coefficient is of 52 W m"−"2 K"−"1.

Charge exchange during pion-nucleon scattering at low energy: experiment and analysis

International Nuclear Information System (INIS)

Vernin, Pascal

1972-01-01

This research thesis lies within the frame of a more general study of pion-nucleon scattering according to the following processes: π + p → π + p; π - p → π - p; π - p → π 0 n. It more precisely addresses the last reaction, so-called charge exchange. Pion-nucleon interactions are described by phase shifts of scattering waves. But the measurement of one of these phase shifts (that of the S wave) requires very low energy pions, and could not have been performed until now with a good precision. In order to fill this gap, the author performed charge exchange experiments at 180 deg. and for energies of 22.6, 33.9 and 42.6 MeV. After a recall on involved theoretical data, the author describes the experimental setup, and reports the detailed study of problems raised by neutron detection. He shows that the analysis of experimental data allows (a 3 - a 1 ) to be obtained with a precision which, without being as high as desired, is nevertheless satisfying [fr

Activity systems modeling as a theoretical lens for social exchange studies

Directory of Open Access Journals (Sweden)

Ernest Jones

2016-01-01

Full Text Available The social exchange perspective seeks to acknowledge, understand and predict the dynamics of social interactions. Empirical research involving social exchange constructs have grown to be highly technical including confirmatory factor analysis to assess construct distinctiveness and structural equation modeling to assess construct causality. Each study seemingly strives to assess how underlying social exchange theoretic constructs interrelate. Yet despite this methodological depth and resultant explanatory and predictive power, a significant number of studies report findings that, once synthesized, suggest an underlying persistent threat of conceptual or construct validity brought about by a search for epistemological parsimony. Further, it is argued that a methodological approach that embraces inherent complexity such as activity systems modeling facilitates the search for simplified models while not ignoring contextual factors.

Exchange bias energy in Co/Pt/IrMn multilayers with perpendicular and in-plane anisotropy

Energy Technology Data Exchange (ETDEWEB)

Czapkiewicz, M. [Department of Electronics, AGH University of Science and Technology, 30-059 Cracow (Poland)]. E-mail: czapkiew@agh.edu.pl; Stobiecki, T. [Department of Electronics, AGH University of Science and Technology, 30-059 Cracow (Poland); Rak, R. [Department of Electronics, AGH University of Science and Technology, 30-059 Cracow (Poland); Zoladz, M. [Department of Electronics, AGH University of Science and Technology, 30-059 Cracow (Poland); Dijken, S. van [CRANN and School of Physics, Trinity College, Dublin 2 (Ireland)

2007-09-15

The magnetization reversal process in perpendicularly biased [Pt/Co]{sub 3}/d{sub Pt} Pt/IrMn and in-plane biased Co/d{sub Pt} Pt/IrMn multilayers with 0nm=exchange bias field decreases monotonically with Pt insertion layer thickness, while its coercivity remains constant. The samples with perpendicular magnetic anisotropy, on the other hand, exhibit maximum exchange bias and minimum coercivity for d{sub Pt}=0.1nm. In both cases, the existence of large exchange bias fields correlates with a high domain density during magnetization reversal. The interface exchange coupling energy is larger for the in-plane biased films than for the perpendicularly biased multilayers.

Quark-exchange effects in a deuteron breakup at intermediate energy

International Nuclear Information System (INIS)

Kobushkin, A.P.; Syamtomov, A.I.; Glozman, L.Ya.

1995-01-01

Microscopical approach to a deuteron breakup at high and intermediate energies is proposed. We show that the quark exchange effects, resulting from the full asymmetry of the 6q-deuteron wave function with respect to the pair permutations of quark variables, strongly affect the proton momentum distribution in the deuteron, as well as the polarization observables of inclusive deuteron breakup, when the '' internal momentum '' in the deuteron is of order of a few hundreds MeV/c. 25 refs., 2 tab., 9 figs

Quark-exchange effects in a deuteron breakup at intermediate energy.

Energy Technology Data Exchange (ETDEWEB)

Kobushkin, A P; Syamtomov, A I; Glozman, L Ya

1996-12-31

Microscopical approach to a deuteron breakup at high and intermediate energies is proposed. We show that the quark exchange effects, resulting from the full asymmetry of the 6q-deuteron wave function with respect to the pair permutations of quark variables, strongly affect the proton momentum distribution in the deuteron, as well as the polarization observables of inclusive deuteron breakup, when the `` internal momentum `` in the deuteron is of order of a few hundreds MeV/c. 25 refs., 2 tab., 9 figs.

XML-based formulation of field theoretical models. A proposal for a future standard and data base for model storage, exchange and cross-checking of results

International Nuclear Information System (INIS)

Demichev, A.; Kryukov, A.; Rodionov, A.

2002-01-01

We propose an XML-based standard for formulation of field theoretical models. The goal of creation of such a standard is to provide a way for an unambiguous exchange and cross-checking of results of computer calculations in high energy physics. At the moment, the suggested standard implies that models under consideration are of the SM or MSSM type (i.e., they are just SM or MSSM, their submodels, smooth modifications or straightforward generalizations). (author)

A Markov chain approach to modelling charge exchange processes of an ion beam in monotonically increasing or decreasing potentials

International Nuclear Information System (INIS)

Shrier, O; Khachan, J; Bosi, S

2006-01-01

A Markov chain method is presented as an alternative approach to Monte Carlo simulations of charge exchange collisions by an energetic hydrogen ion beam with a cold background hydrogen gas. This method was used to determine the average energy of the resulting energetic neutrals along the path of the beam. A comparison with Monte Carlo modelling showed a good agreement but with the advantage that it required much less computing time and produced no numerical noise. In particular, the Markov chain method works well for monotonically increasing or decreasing electrostatic potentials. Finally, a good agreement is obtained with experimental results from Doppler shift spectroscopy on energetic beams from a hollow cathode discharge. In particular, the average energy of ions that undergo charge exchange reaches a plateau that can be well below the full energy that might be expected from the applied voltage bias, depending on the background gas pressure. For example, pressures of ∼20 mTorr limit the ion energy to ∼20% of the applied voltage

Modelling Zn(II) sorption onto clayey sediments using a multi-site ion-exchange model

International Nuclear Information System (INIS)

Tertre, E.; Beaucaire, C.; Coreau, N.; Juery, A.

2009-01-01

In environmental studies, it is necessary to be able to predict the behaviour of contaminants in more or less complex physico-chemical contexts. The improvement of this prediction partly depends on establishing thermodynamic models that can describe the behaviour of these contaminants and, in particular, the sorption reactions on mineral surfaces. In this way, based on the mass action law, it is possible to use surface complexation models and ion exchange models. Therefore, the aim of this study is (i) to develop an ion-exchange model able to describe the sorption of transition metal onto pure clay minerals and (ii) to test the ability of this approach to predict the sorption of these elements onto natural materials containing clay minerals (i.e. soils/sediments) under various chemical conditions. This study is focused on the behaviour of Zn(II) in the presence of clayey sediments. Considering that clay minerals are cation exchangers containing multiple sorption sites, it is possible to interpret the sorption of Zn(II), as well as competitor cations, by ion-exchange equilibria with the clay minerals. This approach is applied with success to interpret the experimental data obtained previously in the Zn(II)-H + -Na + -montmorillonite system. The authors' research team has already studied the behaviour of Na + , K + , Ca 2+ and Mg 2+ versus pH in terms of ion exchange onto pure montmorillonite, leading to the development of a thermodynamic database including the exchange site concentrations associated with montmorillonite and the selectivity coefficients of Na + , K + , Ca 2+ , Mg 2+ , and Zn 2+ versus H + . In the present study, experimental isotherms of Zn(II) on two different sediments in batch reactors at different pH and ionic strengths, using NaCl and CaSO 4 as electrolytes are reported. Assuming clay minerals are the main ion-exchanging phases, it is possible to predict Zn(II) sorption onto sediments under different experimental conditions, using the previously

Integrated O&M for energy generation and exchange facilities

International Nuclear Information System (INIS)

2016-01-01

Ingeteam Service, part of the Ingeteam Group, is a leading company in the provision of integrated O&M services at energy generation and exchange facilities worldwide. From its head office in the Albacete Science and Technology Park, it manages the work of the 1,300 employees that make up its global workforce, rendering services to wind farms, PV installations and power generation plants. In addition, it maintains an active participation strategy in a range of R&D+i programmes that improve the existing technologies and are geared towards new production systems and new diagnostic techniques, applied to renewables installation maintenance. (Author)

Exchange bias energy in Co/Pt/IrMn multilayers with perpendicular and in-plane anisotropy

International Nuclear Information System (INIS)

Czapkiewicz, M.; Stobiecki, T.; Rak, R.; Zoladz, M.; Dijken, S. van

2007-01-01

The magnetization reversal process in perpendicularly biased [Pt/Co] 3 /d Pt Pt/IrMn and in-plane biased Co/d Pt Pt/IrMn multilayers with 0nm= Pt = Pt =0.1nm. In both cases, the existence of large exchange bias fields correlates with a high domain density during magnetization reversal. The interface exchange coupling energy is larger for the in-plane biased films than for the perpendicularly biased multilayers

Asymptotic theory of charge exchange for relativistic velocities and binding energies

International Nuclear Information System (INIS)

Demkov, Yu.N.; Ostrovskij, V.N.; Shevchenko, S.I.

1983-01-01

The asymptotic theory of charge exchange (ATCE) at a large shock parameter rho is applied to the case of relativistic velocities and binding energies. The charge exchange reaction (1+e)+2 → 1+(e+2), when an electron from the bound 1Ssub(1/2) state on one particle transforms to the 1Ssub(1/2) state on the other, is considered. Oasic features of the method are as follows: 1) the representation of the transition amplitude in the form of multidimensional integral over some hypersurface; 2) the use of the saddle-point method for calculating necessary multidimensional integrals; 3) the refinement of wave functions as compared with the case of the absence of the interaction. The ATCE (at rho → infinity) makes it possible to obtain analytical results whose accuracy is determined solely with the shock parameter rho. A basic term of charge exchange amplitude asymptotics for 1Ssub(1/2) → 1Ssub(1/2) transitions has been calculated. It is possible to consider the ATCE as a peculiar reference with which theoretical and experimental results can be compared as well as to use the ATCE as boundary conditions during numerical calculations

Contributions of chemical exchange to T1ρ dispersion in a tissue model.

Science.gov (United States)

Cobb, Jared G; Xie, Jingping; Gore, John C

2011-12-01

Variations in T(1ρ) with locking-field strength (T(1ρ) dispersion) may be used to estimate proton exchange rates. We developed a novel approach utilizing the second derivative of the dispersion curve to measure exchange in a model system of cross-linked polyacrylamide gels. These gels were varied in relative composition of comonomers, increasing stiffness, and in pH, modifying exchange rates. Magnetic resonance images were recorded with a spin-locking sequence as described by Sepponen et al. These measurements were fit to a mono-exponential decay function yielding values for T(1ρ) at each locking-field measured. These values were then fit to a model by Chopra et al. for estimating exchange rates. For low stiffness gels, the calculated exchange values increased by a factor of 4 as pH increased, consistent with chemical exchange being the dominant contributor to T(1ρ) dispersion. Interestingly, calculated chemical exchange rates also increased with stiffness, likely due to modified side-chain exchange kinetics as the composition varied. This article demonstrates a new method to assess the structural and chemical effects on T(1ρ) relaxation dispersion with a suitable model. These phenomena may be exploited in an imaging context to emphasize the presence of nuclei of specific exchange rates, rather than chemical shifts. Copyright © 2011 Wiley Periodicals, Inc.

Modeling foreign exchange risk premium in Armenia

Czech Academy of Sciences Publication Activity Database

Poghosyan, Tigran; Kočenda, Evžen; Zemčík, P.

2008-01-01

Roč. 44, č. 1 (2008), s. 41-61 ISSN 1540-496X R&D Projects: GA MŠk LC542 Institutional research plan: CEZ:MSM0021620846 Keywords : foreign exchange risk premium * Armenia * affine term structure models Subject RIV: AH - Economics Impact factor: 0.611, year: 2008

A Distributed Model of Oilseed Biorefining, via Integrated Industrial Ecology Exchanges

Science.gov (United States)

Ferrell, Jeremy C.

As the demand for direct petroleum substitutes increases, biorefineries are poised to become centers for conversion of biomass into fuels, energy, and biomaterials. A distributed model offers reduced transportation, tailored process technology to available feedstock, and increased local resilience. Oilseeds are capable of producing a wide variety of useful products additive to food, feed, and fuel needs. Biodiesel manufacturing technology lends itself to smaller-scale distributed facilities able to process diverse feedstocks and meet demand of critical diesel fuel for basic municipal services, safety, sanitation, infrastructure repair, and food production. Integrating biodiesel refining facilities as tenants of eco-industrial parks presents a novel approach for synergistic energy and material exchanges whereby environmental and economic metrics can be significantly improved upon compared to stand alone models. This research is based on the Catawba County NC EcoComplex and the oilseed crushing and biodiesel processing facilities (capacity-433 tons biodiesel per year) located within. Technical and environmental analyses of the biorefinery components as well as agronomic and economic models are presented. The life cycle assessment for the two optimal biodiesel feedstocks, soybeans and used cooking oil, resulted in fossil energy ratios of 7.19 and 12.1 with carbon intensity values of 12.51 gCO2-eq/MJ and 7.93 gCO2-eq/MJ, respectively within the industrial ecology system. Economic modeling resulted in a biodiesel conversion cost of 1.43 per liter of fuel produced with used cooking oil, requiring a subsidy of 0.58 per liter to reach the break-even point. As subsidies continue significant fluctuation, metrics other than operating costs are required to justify small-scale biofuel projects.

Consistent post-reaction vibrational energy redistribution in DSMC simulations using TCE model

Science.gov (United States)

Borges Sebastião, Israel; Alexeenko, Alina

2016-10-01

The direct simulation Monte Carlo (DSMC) method has been widely applied to study shockwaves, hypersonic reentry flows, and other nonequilibrium flow phenomena. Although there is currently active research on high-fidelity models based on ab initio data, the total collision energy (TCE) and Larsen-Borgnakke (LB) models remain the most often used chemistry and relaxation models in DSMC simulations, respectively. The conventional implementation of the discrete LB model, however, may not satisfy detailed balance when recombination and exchange reactions play an important role in the flow energy balance. This issue can become even more critical in reacting mixtures involving polyatomic molecules, such as in combustion. In this work, this important shortcoming is addressed and an empirical approach to consistently specify the post-reaction vibrational states close to thermochemical equilibrium conditions is proposed within the TCE framework. Following Bird's quantum-kinetic (QK) methodology for populating post-reaction states, the new TCE-based approach involves two main steps. The state-specific TCE reaction probabilities for a forward reaction are first pre-computed from equilibrium 0-D simulations. These probabilities are then employed to populate the post-reaction vibrational states of the corresponding reverse reaction. The new approach is illustrated by application to exchange and recombination reactions relevant to H2-O2 combustion processes.

Study of the mass and energy resolution of the E parallel B charge exchange analyzer for TFTR

International Nuclear Information System (INIS)

Kaita, R.; Medley, S.S.

1979-09-01

The charge exchange diagnostic for TFTR requires simultaneous multispecie (H + , D + , γ + ) analysis of particles in the energy range of 0.5 - 150 keV. The analyzer design chosen to provide this capability employs a wide gap semi-circular region of superimposed parallel electric and magnetic fields to accomplish mass and energy resolution, respectively. Combined with a large area, multi-anode microchannel plate detector, this arrangement will enable the energy distributions of protons, deuterions, and tritons to be measured concurrently as a function of time during each discharge. A computer simulation program for calculating ion trajectories through the analyzer was written that includes a realistic model of the magnetic and electrostatic fringe fields. This report presents the results of a study of the proposed E parallel B analyzer, and it reveals that the fringe fields are not detrimental to the performance of the analyzer

Measuring exchange market pressure in South Africa: an application of the Girton-Roper monetary model

Directory of Open Access Journals (Sweden)

Emmanuel Ziramba

2013-02-01

Full Text Available The monetary approach to the balance of payments is based on the assumption of a fixed exchange rate, while its approach to exchange rate determination is based on perfectly flexible exchange rate. Another monetary model called the Exchange Market Pressure model (EMP was designed to capture the properties of the managed float. This paper applies the monetary model of the EMP to the South African experience with floating exchange rate and managed float systems over the period 1970-1993. We show that the EMP model is superior to the traditional monetary approach. We do not find evidence of the impact of domestic real income on EMP. Diagnostic tests suggest that the model is well specified and the residuals pass the typical checking.

An Early Model for Value and Sustainability in Health Information Exchanges: Qualitative Study

Science.gov (United States)

2018-01-01

Background The primary value relative to health information exchange has been seen in terms of cost savings relative to laboratory and radiology testing, emergency department expenditures, and admissions. However, models are needed to statistically quantify value and sustainability and better understand the dependent and mediating factors that contribute to value and sustainability. Objective The purpose of this study was to provide a basis for early model development for health information exchange value and sustainability. Methods A qualitative study was conducted with 21 interviews of eHealth Exchange participants across 10 organizations. Using a grounded theory approach and 3.0 as a relative frequency threshold, 5 main categories and 16 subcategories emerged. Results This study identifies 3 core current perceived value factors and 5 potential perceived value factors—how interviewees predict health information exchanges may evolve as there are more participants. These value factors were used as the foundation for early model development for sustainability of health information exchange. Conclusions Using the value factors from the interviews, the study provides the basis for early model development for health information exchange value and sustainability. This basis includes factors from the research: fostering consumer engagement; establishing a provider directory; quantifying use, cost, and clinical outcomes; ensuring data integrity through patient matching; and increasing awareness, usefulness, interoperability, and sustainability of eHealth Exchange. PMID:29712623

An Early Model for Value and Sustainability in Health Information Exchanges: Qualitative Study.

Science.gov (United States)

Feldman, Sue S

2018-04-30

The primary value relative to health information exchange has been seen in terms of cost savings relative to laboratory and radiology testing, emergency department expenditures, and admissions. However, models are needed to statistically quantify value and sustainability and better understand the dependent and mediating factors that contribute to value and sustainability. The purpose of this study was to provide a basis for early model development for health information exchange value and sustainability. A qualitative study was conducted with 21 interviews of eHealth Exchange participants across 10 organizations. Using a grounded theory approach and 3.0 as a relative frequency threshold, 5 main categories and 16 subcategories emerged. This study identifies 3 core current perceived value factors and 5 potential perceived value factors-how interviewees predict health information exchanges may evolve as there are more participants. These value factors were used as the foundation for early model development for sustainability of health information exchange. Using the value factors from the interviews, the study provides the basis for early model development for health information exchange value and sustainability. This basis includes factors from the research: fostering consumer engagement; establishing a provider directory; quantifying use, cost, and clinical outcomes; ensuring data integrity through patient matching; and increasing awareness, usefulness, interoperability, and sustainability of eHealth Exchange. ©Sue S Feldman. Originally published in JMIR Medical Informatics (http://medinform.jmir.org), 30.04.2018.

The broad component of hydrogen emission lines in nuclei of Seyfert galaxies: Comments on a charge exchange model

International Nuclear Information System (INIS)

Katz, A.

1975-01-01

A model to account for the broad hydrogen line emission from the nuclei of Seyfert galaxies based on charge exchange and collisional processes, as proposed by Ptak and Stoner, is investigated. The model consists of a source of fast (E approx. 10 5 eV) protons streaming through a medium of quiescent gas. One of the major problems that results from such a model concerns the strong narrow hydrogen line core that would be produced, in direct conflict with the observations. The lines cannot arise from gas arranged throughout a spherical volume surrounding the source of the fast particles because the fast protons would produce far more ionizations than the possible number of recombinations. A very dense shell source of less than 1 AU in thickness and at least several tens of parsecs in radius must be invoked to reproduce the asymmetric broad profiles observed. There must be absorption throughout the center of the shell to account for the line profiles. The gas cannot be arranged in dense clumps throughout a large volume because momentum exchange of the gas with the primary particles would quickly accelerate any clumps. The energy balance and energy requirements of such a model are investigated, and it is found that an energy equal to or greater than the total luminosity of most Seyfert galaxies is required to produce the hydrogen line alone. The gas must be mostly neutral and den []e (N approx. 10 7 ) if a reasonable temperature is to be maintained

A Laboratory Exercise Using a Physical Model for Demonstrating Countercurrent Heat Exchange

Science.gov (United States)

Loudon, Catherine; Davis-Berg, Elizabeth C.; Botz, Jason T.

2012-01-01

A physical model was used in a laboratory exercise to teach students about countercurrent exchange mechanisms. Countercurrent exchange is the transport of heat or chemicals between fluids moving in opposite directions separated by a permeable barrier (such as blood within adjacent blood vessels flowing in opposite directions). Greater exchange of…

Monetary models and exchange rate determination: The Nigerian ...

African Journals Online (AJOL)

Monetary models and exchange rate determination: The Nigerian evidence. ... income levels and real interest rate differentials provide better forecasts of the ... partner can expect to suffer depreciation in the external value of her currency.

Predicted and measured velocity distribution in a model heat exchanger

International Nuclear Information System (INIS)

Rhodes, D.B.; Carlucci, L.N.

1984-01-01

This paper presents a comparison between numerical predictions, using the porous media concept, and measurements of the two-dimensional isothermal shell-side velocity distributions in a model heat exchanger. Computations and measurements were done with and without tubes present in the model. The effect of tube-to-baffle leakage was also investigated. The comparison was made to validate certain porous media concepts used in a computer code being developed to predict the detailed shell-side flow in a wide range of shell-and-tube heat exchanger geometries

Spatial variation in energy exchange across coastal environments in Greenland

Science.gov (United States)

Lund, M.; Abermann, J.; Citterio, M.; Hansen, B. U.; Larsen, S. H.; Stiegler, C.; Sørensen, L. L.; van As, D.

2015-12-01

The surface energy partitioning in Arctic terrestrial and marine areas is a crucial process, regulating snow, glacier ice and sea ice melt, and permafrost thaw, as well as modulating Earth's climate on both local, regional, and eventually, global scales. The Arctic region has warmed approximately twice as much as the global average, due to a number of feedback mechanisms related to energy partitioning, most importantly the snow and ice-albedo feedback. However, direct measurements of surface energy budgets in the Arctic are scarce, especially for the cold and dark winter period and over transects going from the ice sheet and glaciers to the sea. This study aims to describe annual cycles of the surface energy budget from various surface types in Arctic Greenland; e.g. glacier, snow, wet and dry tundra and sea ice, based on data from a number of measurement locations across coastal Greenland related to the Greenland Ecosystem Monitoring (GEM) program, including Station Nord/Kronprins Christians Land, Zackenberg/Daneborg, Disko, Qaanaq, Nuuk/Kobbefjord and Upernaviarsuk. Based on the available time series, we will analyze the sensitivity of the energy balance partitioning to variations in meteorological conditions (temperature, cloudiness, precipitation). Such analysis would allow for a quantification of the spatial variation in the energy exchange in aforementioned Arctic environments. Furthermore, this study will identify uncertainties and knowledge gaps in Arctic energy budgets and related climate feedback effects.

Modeling foreign exchange risk premium in Armenia

Czech Academy of Sciences Publication Activity Database

Poghosyan, T.; Kočenda, E.; Zemčík, Petr

2008-01-01

Roč. 44, č. 1 (2008), s. 41-61 ISSN 1540-496X R&D Projects: GA MŠk LC542 Institutional research plan: CEZ:AV0Z70850503 Keywords : foreign exchange risk premium * Armenia * affine term structure models Subject RIV: AH - Economics Impact factor: 0.611, year: 2008

Down-Hole Heat Exchangers: Modelling of a Low-Enthalpy Geothermal System for District Heating

Directory of Open Access Journals (Sweden)

M. Carlini

2012-01-01

Full Text Available In order to face the growing energy demands, renewable energy sources can provide an alternative to fossil fuels. Thus, low-enthalpy geothermal plants may play a fundamental role in those areas—such as the Province of Viterbo—where shallow groundwater basins occur and conventional geothermal plants cannot be developed. This may lead to being fuelled by locally available sources. The aim of the present paper is to exploit the heat coming from a low-enthalpy geothermal system. The experimental plant consists in a down-hole heat exchanger for civil purposes and can supply thermal needs by district heating. An implementation in MATLAB environment is provided in order to develop a mathematical model. As a consequence, the amount of withdrawable heat can be successfully calculated.

Modeling and sizing of the heat exchangers of a new supercritical CO2 Brayton power cycle for energy conversion for fusion reactors

International Nuclear Information System (INIS)

Serrano, I.P.; Cantizano, A.; Linares, J.I.; Moratilla, B.Y.

2014-01-01

Highlights: •We propose a procedure to model the heat exchangers of a S-CO2 Brayton power cycle. •Discretization in sub-heat exchangers is performed due to complex behavior of CO 2 . •Different correlations have been tested, verifying them with CFD when necessary. •Obtained sizes are agree with usual values of printed circuit heat exchangers. -- Abstract: TECNO F US is a research program financed by the Spanish Government to develop technologies related to a dual-coolant (He/Pb–Li) breeding blanket design concept including the auxiliary systems for a future power reactor (DEMO). One of the main issues of this program is the optimization of heat recovery from the reactor and its conversion into electrical power. This paper is focused on the methodology employed for the design and sizing of all the heat exchangers of the supercritical CO 2 Brayton power cycle (S-CO2) proposed by the authors. Due to the large pressure difference between the fluids, and also to their compactness, Printed Circuit Heat Exchangers (PCHE) are suggested in literature for these type of cycles. Because of the complex behavior of CO 2 , their design is performed by a numerical discretization into sub-heat exchangers, thus a higher precision is reached when the thermal properties of the fluids vary along the heat exchanger. Different empirical correlations for the pressure drop and the Nusselt number have been coupled and assessed. The design of the precooler (PC) and the low temperature recuperator (LTR) is also verified by simulations using CFD because of the near-critical behavior of CO 2 . The size of all of the heat exchangers of the cycle have been assessed

Fiscal 1999 technical survey report. Basic project on international cooperation on energy consumption improvement, etc. (Japan International Cooperation Center project on promotion of exchange of specialists); 1999 nendo kokusai energy shohi koritsuka nado kyoryoku kiso jigyo / kokusai energy shohi koritsuka chosa nado kyoryoku kiso jigyo chosa hokokusho. Kokusai kyoryoku center jigyo suishin senmonka koryu sokushin jigyo

Energy Technology Data Exchange (ETDEWEB)

NONE

2000-09-01

Specialist related to the governments of Thailand, Malaysia, and Indonesia where NEDO (New Energy and Industrial Technology Development Organization) implements its model projects were invited. They exchanged opinions with officials of the Japanese Government and affiliated organizations over measures for effective energy utilization. Opinions were also exchanged over the response of energy-consuming industries, development of technologies, and the status of their adoption. Activities of government-related participants are described below. Under a Model Project for Utilization of Waste Heat from Incineration of Industrial Waste at Industrial Estate, five Thai people with Industrial Estate of Thailand visited Ministry of International Trade and Industry, NEDO, NKK Corporation, Toyota Motor Corporation, and Keiyo Food Industrial Park. Under a model project on the recovery of waste heat from paper sludge incineration, four Malaysian people with Ministry of Energy, Communications and Multimedia or with Energy Center visited Ministry of International Trade and Industry, NEDO, NKK Corporation, Toyota Motor Corporation, and Japan Paperboard Industries Co., Ltd. Under a model project on the utilization of paper sludge and solid waste, four Indonesian people with Ministry of Industry and Trade or with Ministry of Mines and Energy visited Ministry of International Trade and Industry, NEDO, Babcock-Hitachi K.K., and Oji Paper Co., Ltd. (NEDO)

Real Exchange Rate and Productivity in an OLG Model

OpenAIRE

Thi Hong Thinh DOAN; Karine GENTE

2013-01-01

This article develops an overlapping generations model to show how demography and savings affect the relationship between real exchange rate (RER) and productivity. In high-saving (low-saving) countries and/or low-population-growth-rate countries, a rise in productivity leads to a real depreciation (appreciation) whereas the RER may appreciate or depreciate in highproduction-growth-rate. Using panel data, we conclude that a rise in productivity generally causes a real exchange rate appreciati...

Evaluation of the thermal efficiency and a cost analysis of different types of ground heat exchangers in energy piles

International Nuclear Information System (INIS)

Yoon, Seok; Lee, Seung-Rae; Xue, Jianfeng; Zosseder, Kai; Go, Gyu-Hyun; Park, Hyunku

2015-01-01

Highlights: • We performed field TPT with W and coil-type GHEs in energy piles. • We evaluated heat exchange rates from TPT results. • Field TPT results were compared with numerical analysis. • Cost analysis with GSHP design method was conducted for each type of GHEs in energy piles. - Abstract: This paper presents an experimental and numerical study of the results of a thermal performance test using precast high-strength concrete (PHC) energy piles with W and coil-type ground heat exchangers (GHEs). In-situ thermal performance tests (TPTs) were conducted for four days under an intermittent operation condition (8 h on; 16 h off) on W and coil-type PHC energy piles installed in a partially saturated weathered granite soil deposit. In addition, three-dimensional finite element analyses were conducted and the results were compared with the four-day experimental results. The heat exchange rates were also predicted for three months using the numerical analysis. The heat exchange rate of the coil-type GHE showed 10–15% higher efficiency compared to the W-type GHE in the energy pile. However, in considering the cost for the installation of the heat exchanger and cement grouting the additional cost of W-type GHE in energy pile was 200–250% cheaper than coil-type GHE under the condition providing equivalent thermal performance. Furthermore, the required lengths of the W, 3U and coil-type GHEs in the energy piles were calculated based on the design process of Kavanaugh and Rafferty. The additional cost for the W and 3U types of GHEs were also 200–250% lower than that of the coil-type GHE. However, the required number of piles was much less with the coil-type GHE as compared to the W and 3U types of GHEs. They are advantageous in terms of the construction period, and further, selecting the coil-type GHE could be a viable option when there is a limitation in the number of piles in consideration of the scale of the building.

Geothermal heat exchanger with coaxial flow of fluids

Directory of Open Access Journals (Sweden)

Pejić Dragan M.

2005-01-01

Full Text Available The paper deals with a heat exchanger with coaxial flow. Two coaxial pipes of the secondary part were placed directly into a geothermal boring in such a way that geothermal water flows around the outer pipe. Starting from the energy balance of the exchanger formed in this way and the assumption of a study-state operating regime, a mathematical model was formulated. On the basis of the model, the secondary circle output temperature was determined as a function of the exchanger geometry, the coefficient of heat passing through the heat exchange areas, the average mass isobaric specific heats of fluid and mass flows. The input temperature of the exchanger secondary circle and the temperature of the geothermal water at the exit of the boring were taken as known values. Also, an analysis of changes in certain factors influencing the secondary water temperature was carried out. The parameters (flow temperature of the deep boring B-4 in Sijarinska Spa, Serbia were used. The theoretical results obtained indicate the great potential of this boring and the possible application of such an exchanger.

Towards hot electron mediated charge exchange in hyperthermal energy ion-surface interactions

DEFF Research Database (Denmark)

Ray, M. P.; Lake, R. E.; Thomsen, Lasse Bjørchmar

2010-01-01

shows that the primary energy loss mechanism is the atomic displacement of Au atoms in the thin film of the metal–oxide–semiconductor device. We propose that neutral particle detection of the scattered flux from a biased device could be a route to hot electron mediated charge exchange.......We have made Na + and He + ions incident on the surface of solid state tunnel junctions and measured the energy loss due to atomic displacement and electronic excitations. Each tunnel junction consists of an ultrathin film metal–oxide–semiconductor device which can be biased to create a band of hot...

Effectiveness-ntu computation with a mathematical model for cross-flow heat exchangers

Directory of Open Access Journals (Sweden)

H. A. Navarro

2007-12-01

Full Text Available Due to the wide range of design possibilities, simple manufactured, low maintenance and low cost, cross-flow heat exchangers are extensively used in the petroleum, petrochemical, air conditioning, food storage, and others industries. In this paper a mathematical model for cross-flow heat exchangers with complex flow arrangements for determining epsilon -NTU relations is presented. The model is based on the tube element approach, according to which the heat exchanger outlet temperatures are obtained by discretizing the coil along the tube fluid path. In each cross section of the element, tube-side fluid temperature is assumed to be constant because the heat capacity rate ratio C*=Cmin/Cmax tends toward zero in the element. Thus temperature is controlled by effectiveness of a local element corresponding to an evaporator or a condenser-type element. The model is validated through comparison with theoretical algebraic relations for single-pass cross-flow arrangements with one or more rows. Very small relative errors are obtained showing the accuracy of the present model. epsilon -NTU curves for several complex circuit arrangements are presented. The model developed represents a useful research tool for theoretical and experimental studies on heat exchangers performance.

A modelling approach for simulation of water and carbon dioxide exchange between multi-species tropical rain forest and the atmosphere

DEFF Research Database (Denmark)

Olchev, A.; Ibrom, Andreas; Ross, T.

2008-01-01

An one-dimensional process-based SVAT model (Mixfor-SVAT) was developed to describe energy, water and carbon dioxide exchanges between vegetation canopy and the atmosphere at a local scale. Simulation of the energy, water and CO2 fluxes in Mixfor-SVAT is based on aggregated description...... in measured data series caused by some instrumental errors, sensor wetting, changes in the footprint or fast changes in turbulence conditions resulted in some reduction of correlation between modeled and measured fluxes (e.g. r(2) = 0.62 for CO2 and r(2) = 0.64 for H2O fluxes under friction velocity u* > 0...

Modelling bidirectional fluxes of methanol and acetaldehyde with the FORCAsT canopy exchange model

Directory of Open Access Journals (Sweden)

K. Ashworth

2016-12-01

Full Text Available The FORCAsT canopy exchange model was used to investigate the underlying mechanisms governing foliage emissions of methanol and acetaldehyde, two short chain oxygenated volatile organic compounds ubiquitous in the troposphere and known to have strong biogenic sources, at a northern mid-latitude forest site. The explicit representation of the vegetation canopy within the model allowed us to test the hypothesis that stomatal conductance regulates emissions of these compounds to an extent that its influence is observable at the ecosystem scale, a process not currently considered in regional- or global-scale atmospheric chemistry models.We found that FORCAsT could only reproduce the magnitude and diurnal profiles of methanol and acetaldehyde fluxes measured at the top of the forest canopy at Harvard Forest if light-dependent emissions were introduced to the model. With the inclusion of such emissions, FORCAsT was able to successfully simulate the observed bidirectional exchange of methanol and acetaldehyde. Although we found evidence that stomatal conductance influences methanol fluxes and concentrations at scales beyond the leaf level, particularly at dawn and dusk, we were able to adequately capture ecosystem exchange without the addition of stomatal control to the standard parameterisations of foliage emissions, suggesting that ecosystem fluxes can be well enough represented by the emissions models currently used.

NLP model and stochastic multi-start optimization approach for heat exchanger networks

International Nuclear Information System (INIS)

Núñez-Serna, Rosa I.; Zamora, Juan M.

2016-01-01

Highlights: • An NLP model for the optimal design of heat exchanger networks is proposed. • The NLP model is developed from a stage-wise grid diagram representation. • A two-phase stochastic multi-start optimization methodology is utilized. • Improved network designs are obtained with different heat load distributions. • Structural changes and reductions in the number of heat exchangers are produced. - Abstract: Heat exchanger network synthesis methodologies frequently identify good network structures, which nevertheless, might be accompanied by suboptimal values of design variables. The objective of this work is to develop a nonlinear programming (NLP) model and an optimization approach that aim at identifying the best values for intermediate temperatures, sub-stream flow rate fractions, heat loads and areas for a given heat exchanger network topology. The NLP model that minimizes the total annual cost of the network is constructed based on a stage-wise grid diagram representation. To improve the possibilities of obtaining global optimal designs, a two-phase stochastic multi-start optimization algorithm is utilized for the solution of the developed model. The effectiveness of the proposed optimization approach is illustrated with the optimization of two network designs proposed in the literature for two well-known benchmark problems. Results show that from the addressed base network topologies it is possible to achieve improved network designs, with redistributions in exchanger heat loads that lead to reductions in total annual costs. The results also show that the optimization of a given network design sometimes leads to structural simplifications and reductions in the total number of heat exchangers of the network, thereby exposing alternative viable network topologies initially not anticipated.

Gallium sorption on montmorillonite and illite colloids: Experimental study and modelling by ionic exchange and surface complexation

International Nuclear Information System (INIS)

Benedicto, Ana; Degueldre, Claude; Missana, Tiziana

2014-01-01

Highlights: • Ga sorption onto illite and montmorillonite was studied and modelled for the first time. • The developed sorption model was able to well explain Ga sorption in both clays. • Number of free parameters was reduced applying the linear free energy relationship. • Cationic exchange dominate sorption at pH < 4.5; surface complexation at higher pH. - Abstract: The migration of metals as gallium (Ga) in the environment is highly influenced by their sorption on clay minerals, as montmorillonite and illite. Given the increased usage of gallium in the industry and the medicine, the Ga-associated waste may result in environmental problems. Ga sorption experiments were carried out on montmorillonite and illite colloids in a wide range of pH, ionic strength and Ga concentration. A Ga sorption model was developed combining ionic exchange and surface complexation on the edge sites (silanol and aluminol-like) of the clay sheets. The complexation constants were estimated as far as possible from the Ga hydrolysis constants applying the linear free energy relationship (LFER), which allowed to reduce the number of free parameters in the model. The Ga sorption behaviour was very similar on illite and montmorillonite: decreasing tendency with pH and dependency on ionic strength at very acidic conditions. The experimental data modelling suggests that the Ga sorption reactions avoid the Ga precipitation, which is predicted in absence of clay colloids between pH 3.5 and 5.5. Assuming this hypothesis, clay colloids would affect Ga aqueous speciation, preventing precipitation in favour of sorption. Ga sorption on montmorillonite and illite can be explained on the basis of three main reactions: Ga 3+ exchange at very acidic conditions (pH < ∼3.8); Ga(OH) 4 - complexation on protonated weak sites in acidic-neutral conditions (between pH ∼5.2 and pH ∼7.9); and Ga(OH) 3 complexation on strong sites at basic conditions (pH > ∼7.9)

Modeling nuclear weak-interaction processes with relativistic energy density functionals

International Nuclear Information System (INIS)

Paar, N.; Marketin, T.; Vale, D.; Vretenar, D.

2015-01-01

Relativistic energy density functionals have become a standard framework for nuclear structure studies of ground state properties and collective excitations over the entire nuclide chart. In this paper, we review recent developments in modeling nuclear weak-interaction processes: Charge-exchange excitations and the role of isoscalar proton–neutron pairing, charged-current neutrino–nucleus reactions relevant for supernova evolution and neutrino detectors and calculation of β-decay rates for r-process nucleosynthesis. (author)

Pomeron models and exchange degeneracy of the Regge trajectories

International Nuclear Information System (INIS)

Kontros, J.; Kontros, K.; Lengyel, A.

2000-01-01

Two models for the Pomeron, supplemented by exchange-degenerate sub-leading Regge trajectories, are fitted to the forward scattering data for a number of reactions. By considering new Pomeron models, we extend the recent results of the COMPAS group, being consistent with our predecessors

Terrestrial magnetospheric imaging: Numerical modeling of low energy neutral atoms

International Nuclear Information System (INIS)

Moore, K.R.; Funsten, H.O.; McComas, D.J.; Scime, E.E.; Thomsen, M.F.

1993-01-01

Imaging of the terrestrial magnetosphere can be performed by detection of low energy neutral atoms (LENAs) that are produced by charge exchange between magnetospheric plasma ions and cold neutral atoms of the Earth's geocorona. As a result of recent instrumentation advances it is now feasible to make energy-resolved measurements of LENAs from less than I key to greater than 30 key. To model expected LENA fluxes at a spacecraft, we initially used a simplistic, spherically symmetric magnetospheric plasma model. 6 We now present improved calculations of both hydrogen and oxygen line-of-sight LENA fluxes expected on orbit for various plasma regimes as predicted by the Rice University Magnetospheric Specification Model. We also estimate expected image count rates based on realistic instrument geometric factors, energy passbands, and image accumulation intervals. The results indicate that presently proposed LENA instruments are capable of imaging of storm time ring current and potentially even quiet time ring current fluxes, and that phenomena such as ion injections from the tail and subsequent drifts toward the dayside magnetopause may also be deduced

Quasi-steady-state model of a counter flow air-to-air heat exchanger with phase change

DEFF Research Database (Denmark)

Rose, Jørgen; Nielsen, Toke Rammer; Kragh, Jesper

2008-01-01

-exchanger. Developing highly efficient heat-exchangers and strategies to avoid/remove frost formation implies the use of detailed models to predict and evaluate different heat-exchanger designs and strategies. This paper presents a quasi-steady-state model of a counter-flow air-to-air heat-exchanger that takes...

The Chemistry of Atmosphere-Forest Exchange (CAFE Model – Part 1: Model description and characterization

Directory of Open Access Journals (Sweden)

G. M. Wolfe

2011-01-01

Full Text Available We present the Chemistry of Atmosphere-Forest Exchange (CAFE model, a vertically-resolved 1-D chemical transport model designed to probe the details of near-surface reactive gas exchange. CAFE integrates all key processes, including turbulent diffusion, emission, deposition and chemistry, throughout the forest canopy and mixed layer. CAFE utilizes the Master Chemical Mechanism (MCM and is the first model of its kind to incorporate a suite of reactions for the oxidation of monoterpenes and sesquiterpenes, providing a more comprehensive description of the oxidative chemistry occurring within and above the forest. We use CAFE to simulate a young Ponderosa pine forest in the Sierra Nevada, CA. Utilizing meteorological constraints from the BEARPEX-2007 field campaign, we assess the sensitivity of modeled fluxes to parameterizations of diffusion, laminar sublayer resistance and radiation extinction. To characterize the general chemical environment of this forest, we also present modeled mixing ratio profiles of biogenic hydrocarbons, hydrogen oxides and reactive nitrogen. The vertical profiles of these species demonstrate a range of structures and gradients that reflect the interplay of physical and chemical processes within the forest canopy, which can influence net exchange.

The computational optimization of heat exchange efficiency in stack chimneys

Energy Technology Data Exchange (ETDEWEB)

Van Goch, T.A.J.

2012-02-15

For many industrial processes, the chimney is the final step before hot fumes, with high thermal energy content, are discharged into the atmosphere. Tapping into this energy and utilizing it for heating or cooling applications, could improve sustainability, efficiency and/or reduce operational costs. Alternatively, an unused chimney, like the monumental chimney at the Eindhoven University of Technology, could serve as an 'energy channeler' once more; it can enhance free cooling by exploiting the stack effect. This study aims to identify design parameters that influence annual heat exchange in such stack chimney applications and optimize these parameters for specific scenarios to maximize the performance. Performance is defined by annual heat exchange, system efficiency and costs. The energy required for the water pump as compared to the energy exchanged, defines the system efficiency, which is expressed in an efficiency coefficient (EC). This study is an example of applying building performance simulation (BPS) tools for decision support in the early phase of the design process. In this study, BPS tools are used to provide design guidance, performance evaluation and optimization. A general method for optimization of simulation models will be studied, and applied in two case studies with different applications (heating/cooling), namely; (1) CERES case: 'Eindhoven University of Technology monumental stack chimney equipped with a heat exchanger, rejects heat to load the cold source of the aquifer system on the campus of the university and/or provides free cooling to the CERES building'; and (2) Industrial case: 'Heat exchanger in an industrial stack chimney, which recoups heat for use in e.g. absorption cooling'. The main research question, addressing the concerns of both cases, is expressed as follows: 'what is the optimal set of design parameters so heat exchange in stack chimneys is optimized annually for the cases in which a

Double Polarized Neutron-Proton Scattering and Meson-Exchange Nucleon-Nucleon Potential Models

International Nuclear Information System (INIS)

Raichle, B.W.; Gould, C.R.; Haase, D.G.; Seely, M.L.; Walston, J.R.; Tornow, W.; Wilburn, W.S.; Raichle, B.W.; Gould, C.R.; Haase, D.G.; Seely, M.L.; Walston, J.R.; Tornow, W.; Wilburn, W.S.; Penttilae, S.I.; Hoffmann, G.W.

1999-01-01

We report on polarized beam - polarized target measurements of the spin-dependent neutron-proton total cross-section differences in longitudinal and transverse geometries (Δσ L and Δσ T , respectively) between E n =5 and 20MeV. Single-parameter phase-shift analyses were performed to extract the phase-shift mixing parameter var-epsilon 1 , which characterizes the strength of the nucleon-nucleon tensor interaction at low energies. Consistent with the trend of previous determinations at E n =25 and 50MeV, our values for var-epsilon 1 imply a stronger tensor force than predicted by meson-exchange nucleon-nucleon potential models and nucleon-nucleon phase-shift analyses. copyright 1999 The American Physical Society

Analyzing energy-water exchange dynamics in the Thar desert

Science.gov (United States)

Raja, P.; Singh, Nilendu; Srinivas, C. V.; Singhal, Mohit; Chauhan, Pankaj; Singh, Maharaj; Sinha, N. K.

2017-07-01

Regions of strong land-atmosphere coupling will be more susceptible to the hydrological impacts in the intensifying hydrological cycle. In this study, micrometeorological experiments were performed to examine the land-atmosphere coupling strength over a heat low region (Thar desert, NW India), known to influence the Indian summer monsoon (ISM). Within the vortex of Thar desert heat low, energy-water exchange and coupling behavior were studied for 4 consecutive years (2011-2014) based on sub-hourly measurements of radiative-convective flux, state parameters and sub-surface thermal profiles using lead-lag analysis between various E-W balance components. Results indicated a strong (0.11-0.35) but variable monsoon season (July-September) land-atmosphere coupling events. Coupling strength declined with time, becomes negative beyond 10-day lag. Evapotranspiration (LE) influences rainfall at the monthly time-scale (20-40 days). Highly correlated monthly rainfall and LE anomalies (r = 0.55, P < 0.001) suggested a large precipitation memory linked to the local land surface state. Sensible heating (SH) during March and April are more strongly (r = 0.6-0.7) correlated to ISM rainfall than heating during May or June (r = 0.16-0.36). Analyses show strong and weak couplings among net radiation (Rn)-vapour pressure deficit (VPD), LE-VPD and Rn-LE switching between energy-limited to water-limited conditions. Consistently, +ve and -ve residual energy [(dE) = (Rn - G) - (SH + LE)] were associated with regional wet and dry spells respectively with a lead of 10-40 days. Dew deposition (18.8-37.9 mm) was found an important component in the annual surface water balance. Strong association of variation of LE and rainfall was found during monsoon at local-scale and with regional-scale LE (MERRA 2D) but with a lag which was more prominent at local-scale than at regional-scale. Higher pre-monsoon LE at local-scale as compared to low and monotonous variation in regional-scale LE led to

Turning Simulation into Estimation: Generalized Exchange Algorithms for Exponential Family Models.

Directory of Open Access Journals (Sweden)

Maarten Marsman

Full Text Available The Single Variable Exchange algorithm is based on a simple idea; any model that can be simulated can be estimated by producing draws from the posterior distribution. We build on this simple idea by framing the Exchange algorithm as a mixture of Metropolis transition kernels and propose strategies that automatically select the more efficient transition kernels. In this manner we achieve significant improvements in convergence rate and autocorrelation of the Markov chain without relying on more than being able to simulate from the model. Our focus will be on statistical models in the Exponential Family and use two simple models from educational measurement to illustrate the contribution.

Multiphysics Model of Palladium Hydride Isotope Exchange Accounting for Higher Dimensionality

Energy Technology Data Exchange (ETDEWEB)

Gharagozloo, Patricia E.; Eliassi, Mehdi; Bon, Bradley Luis

2015-03-01

This report summarizes computational model developm ent and simulations results for a series of isotope exchange dynamics experiments i ncluding long and thin isothermal beds similar to the Foltz and Melius beds and a lar ger non-isothermal experiment on the NENG7 test bed. The multiphysics 2D axi-symmetr ic model simulates the temperature and pressure dependent exchange reactio n kinetics, pressure and isotope dependent stoichiometry, heat generation from the r eaction, reacting gas flow through porous media, and non-uniformities in the bed perme ability. The new model is now able to replicate the curved reaction front and asy mmetry of the exit gas mass fractions over time. The improved understanding of the exchange process and its dependence on the non-uniform bed properties and te mperatures in these larger systems is critical to the future design of such sy stems.

Numerical Modeling of Fin and Tube Heat Exchanger for Waste Heat Recovery

DEFF Research Database (Denmark)

Singh, Shobhana; Sørensen, Kim; Condra, Thomas Joseph

In the present work, multiphysics numerical modeling is carried out to predict the performance of a liquid-gas fin and tube heat exchanger design. Three-dimensional (3D) steady-state numerical model using commercial software COMSOL based on finite element method (FEM) is developed. The study...... associates conjugate heat transfer phenomenon with the turbulent flow to describe the variable temperature and velocity profile. The performance of heat exchanger design is investigated in terms of overall heat transfer coefficient, Nusselt number, Colburn j-factor, flow resistance factor, and efficiency...... between fin and tube. The present numerical model predicts the performance of the heat exchanger design, therefore, can be applied to existing waste heat recovery systems to improve the overall performance with optimized design and process-dependent parameters....

Segmented heat exchanger

Science.gov (United States)

Baldwin, Darryl Dean; Willi, Martin Leo; Fiveland, Scott Byron; Timmons, Kristine Ann

2010-12-14

A segmented heat exchanger system for transferring heat energy from an exhaust fluid to a working fluid. The heat exchanger system may include a first heat exchanger for receiving incoming working fluid and the exhaust fluid. The working fluid and exhaust fluid may travel through at least a portion of the first heat exchanger in a parallel flow configuration. In addition, the heat exchanger system may include a second heat exchanger for receiving working fluid from the first heat exchanger and exhaust fluid from a third heat exchanger. The working fluid and exhaust fluid may travel through at least a portion of the second heat exchanger in a counter flow configuration. Furthermore, the heat exchanger system may include a third heat exchanger for receiving working fluid from the second heat exchanger and exhaust fluid from the first heat exchanger. The working fluid and exhaust fluid may travel through at least a portion of the third heat exchanger in a parallel flow configuration.

A Model of Exchange-Rate-Based Stabilization for Turkey

OpenAIRE

Ozlem Aytac

2008-01-01

The literature on the exchange-rate-based stabilization has focused almost exclusively in Latin America. Many other countries however, such as Egypt, Lebanon and Turkey; have undertaken this sort of programs in the last 10-15 years. I depart from the existing literature by developing a model specifically for the 2000-2001 heterodox exchange-rate-based stabilization program in Turkey: When the government lowers the rate of crawl, the rate of domestic credit creation is set equal to the lower r...

ECONOMETRIC APPROACH TO DIFFERENCE EQUATIONS MODELING OF EXCHANGE RATES CHANGES

Directory of Open Access Journals (Sweden)

Josip Arnerić

2010-12-01

Full Text Available Time series models that are commonly used in econometric modeling are autoregressive stochastic linear models (AR and models of moving averages (MA. Mentioned models by their structure are actually stochastic difference equations. Therefore, the objective of this paper is to estimate difference equations containing stochastic (random component. Estimated models of time series will be used to forecast observed data in the future. Namely, solutions of difference equations are closely related to conditions of stationary time series models. Based on the fact that volatility is time varying in high frequency data and that periods of high volatility tend to cluster, the most successful and popular models in modeling time varying volatility are GARCH type models and their variants. However, GARCH models will not be analyzed because the purpose of this research is to predict the value of the exchange rate in the levels within conditional mean equation and to determine whether the observed variable has a stable or explosive time path. Based on the estimated difference equation it will be examined whether Croatia is implementing a stable policy of exchange rates.

Measuring the Effect of Exchange Rate Movements on Stock Market Returns Volatility: GARCH Model

Directory of Open Access Journals (Sweden)

Abdelkadir BESSEBA

2017-06-01

Full Text Available This paper aims to investigate the dynamic links between exchange rate fluctuations and stock market return volatility. For this purpose, we have employed a Generalized Autoregressive Conditional Heteroscedasticity model (GARCH model. Stock market returns sensitivities are found to be stronger for exchange rates, implying that exchange rate change plays an important role in determining the dynamics of the stock market returns.

Modeling Of Proton Exchange Membrane Fuel Cell Systems

DEFF Research Database (Denmark)

Nielsen, Mads Pagh

The objective of this doctoral thesis was to develop reliable steady-state and transient component models suitable to asses-, develop- and optimize proton exchange membrane (PEM) fuel cell systems. Several components in PEM fuel cell systems were characterized and modeled. The developed component...... cell systems. Consequences of indirectly fueling PEM stacks with hydrocarbons using reforming technology were investigated using a PEM stack model including CO poisoning kinetics and a transient Simulink steam reforming system model. Aspects regarding the optimization of PEM fuel cell systems...

Land-use change arising from rural land exchange : an agent-based simulation model

NARCIS (Netherlands)

Bakker, Martha M.; Alam, Shah Jamal; van Dijk, Jerry|info:eu-repo/dai/nl/29612642X; Rounsevell, Mark D. A.

Land exchange can be a major factor driving land-use change in regions with high pressure on land, but is generally not incorporated in land-use change models. Here we present an agent-based model to simulate land-use change arising from land exchange between multiple agent types representing

Theoretical calculation of reorganization energy for electron self-exchange reaction by constrained density functional theory and constrained equilibrium thermodynamics.

Science.gov (United States)

Ren, Hai-Sheng; Ming, Mei-Jun; Ma, Jian-Yi; Li, Xiang-Yuan

2013-08-22

Within the framework of constrained density functional theory (CDFT), the diabatic or charge localized states of electron transfer (ET) have been constructed. Based on the diabatic states, inner reorganization energy λin has been directly calculated. For solvent reorganization energy λs, a novel and reasonable nonequilibrium solvation model is established by introducing a constrained equilibrium manipulation, and a new expression of λs has been formulated. It is found that λs is actually the cost of maintaining the residual polarization, which equilibrates with the extra electric field. On the basis of diabatic states constructed by CDFT, a numerical algorithm using the new formulations with the dielectric polarizable continuum model (D-PCM) has been implemented. As typical test cases, self-exchange ET reactions between tetracyanoethylene (TCNE) and tetrathiafulvalene (TTF) and their corresponding ionic radicals in acetonitrile are investigated. The calculated reorganization energies λ are 7293 cm(-1) for TCNE/TCNE(-) and 5939 cm(-1) for TTF/TTF(+) reactions, agreeing well with available experimental results of 7250 cm(-1) and 5810 cm(-1), respectively.

Syntrophic growth with direct interspecies electron transfer as the primary mechanism for energy exchange

DEFF Research Database (Denmark)

Shrestha, Pravin Malla; Rotaru, Amelia-Elena; Aklujkar, Muktak

2013-01-01

Direct interspecies electron transfer (DIET) through biological electrical connections is an alternative to interspecies H2 transfer as a mechanism for electron exchange in syntrophic cultures. However, it has not previously been determined whether electrons received via DIET yield energy...... dehydrogenase, the pilus-associated c-type cytochrome OmcS and pili consistent with electron transfer via DIET. These results suggest that electrons transferred via DIET can serve as the sole energy source to support anaerobic respiration....

Thermal response test data of five quadratic cross section precast pile heat exchangers.

Science.gov (United States)

Alberdi-Pagola, Maria

2018-06-01

This data article comprises records from five Thermal Response Tests (TRT) of quadratic cross section pile heat exchangers. Pile heat exchangers, typically referred to as energy piles, consist of traditional foundation piles with embedded heat exchanger pipes. The data presented in this article are related to the research article entitled "Comparing heat flow models for interpretation of precast quadratic pile heat exchanger thermal response tests" (Alberdi-Pagola et al., 2018) [1]. The TRT data consists of measured inlet and outlet temperatures, fluid flow and injected heat rate recorded every 10 min. The field dataset is made available to enable model verification studies.

Bounded energy exchange as an alternative to the third law of thermodynamics

Energy Technology Data Exchange (ETDEWEB)

Heidrich, Matthias, E-mail: Heidrich_Matthias@web.de

2016-10-15

This paper introduces a postulate explicitly forbidding the extraction of an infinite amount of energy from a thermodynamic system. It also introduces the assumption that no measuring equipment is capable of detecting arbitrarily small energy exchanges. The Kelvin formulation of the second law is reinterpreted accordingly. Then statements related to both the unattainability version and the entropic version of the third law are derived. The value of any common thermodynamic potential of a one-component system at absolute zero of temperature is ascertained if some assumptions with regard to the state space can be made. The point of view is the phenomenological, macroscopic and non-statistical one of classical thermodynamics.

Bounded energy exchange as an alternative to the third law of thermodynamics

International Nuclear Information System (INIS)

Heidrich, Matthias

2016-01-01

This paper introduces a postulate explicitly forbidding the extraction of an infinite amount of energy from a thermodynamic system. It also introduces the assumption that no measuring equipment is capable of detecting arbitrarily small energy exchanges. The Kelvin formulation of the second law is reinterpreted accordingly. Then statements related to both the unattainability version and the entropic version of the third law are derived. The value of any common thermodynamic potential of a one-component system at absolute zero of temperature is ascertained if some assumptions with regard to the state space can be made. The point of view is the phenomenological, macroscopic and non-statistical one of classical thermodynamics.

Probing the exchange statistics of one-dimensional anyon models

Science.gov (United States)

Greschner, Sebastian; Cardarelli, Lorenzo; Santos, Luis

2018-05-01

We propose feasible scenarios for revealing the modified exchange statistics in one-dimensional anyon models in optical lattices based on an extension of the multicolor lattice-depth modulation scheme introduced in [Phys. Rev. A 94, 023615 (2016), 10.1103/PhysRevA.94.023615]. We show that the fast modulation of a two-component fermionic lattice gas in the presence a magnetic field gradient, in combination with additional resonant microwave fields, allows for the quantum simulation of hardcore anyon models with periodic boundary conditions. Such a semisynthetic ring setup allows for realizing an interferometric arrangement sensitive to the anyonic statistics. Moreover, we show as well that simple expansion experiments may reveal the formation of anomalously bound pairs resulting from the anyonic exchange.

Nucleon charge exchange reaction and antiproton elastic scattering at intermediate energies

International Nuclear Information System (INIS)

Kronenfeld, J.

1985-02-01

This work treats the medium energy nuclear (p,n) charge exchange reaction to analog states and the low energy elastic scattering of antiprotons and investigates the central aspects of a microscopic theory based on multiple-scattering series which are pertinent to these reactions. A two-step term of the Distorted Wave Impulse Approximation (DWIA) in treating the (p,n) reaction, was included. For the very absorptive p-bar interaction with nuclei we conjecture that a partial infinite summation, constituing a renormalization of the single scattering term of the optical potential series provides the dominant feature of this interaction. In this work the excitation of analog states is calculated and it was found that the (p,n) reaction is described fairly well by the DWIA. In the first part of the work the (p,n) reaction in the energy range 100-200 MeV was treated. The DWIA calculations were based on eikonalization. In the second part of the work the p-barA interaction with the selfconsistent scheme mentioned above, for scattering energies 30-120 MeV, was examined. (author)

Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory.

Science.gov (United States)

Stoyanova, Alexandrina; Teale, Andrew M; Toulouse, Julien; Helgaker, Trygve; Fromager, Emmanuel

2013-10-07

The alternative separation of exchange and correlation energies proposed by Toulouse et al. [Theor. Chem. Acc. 114, 305 (2005)] is explored in the context of multi-configuration range-separated density-functional theory. The new decomposition of the short-range exchange-correlation energy relies on the auxiliary long-range interacting wavefunction rather than the Kohn-Sham (KS) determinant. The advantage, relative to the traditional KS decomposition, is that the wavefunction part of the energy is now computed with the regular (fully interacting) Hamiltonian. One potential drawback is that, because of double counting, the wavefunction used to compute the energy cannot be obtained by minimizing the energy expression with respect to the wavefunction parameters. The problem is overcome by using short-range optimized effective potentials (OEPs). The resulting combination of OEP techniques with wavefunction theory has been investigated in this work, at the Hartree-Fock (HF) and multi-configuration self-consistent-field (MCSCF) levels. In the HF case, an analytical expression for the energy gradient has been derived and implemented. Calculations have been performed within the short-range local density approximation on H2, N2, Li2, and H2O. Significant improvements in binding energies are obtained with the new decomposition of the short-range energy. The importance of optimizing the short-range OEP at the MCSCF level when static correlation becomes significant has also been demonstrated for H2, using a finite-difference gradient. The implementation of the analytical gradient for MCSCF wavefunctions is currently in progress.

Two-dimensional analytical model of a proton exchange membrane fuel cell

International Nuclear Information System (INIS)

Liu, Jia Xing; Guo, Hang; Ye, Fang; Ma, Chong Fang

2017-01-01

In this study, a two-dimensional full cell analytical model of a proton exchange membrane fuel cell is developed. The analytical model describes electrochemical reactions on the anode and cathode catalyst layer, reactants diffusion in the gas diffusion layer, and gases flow in the gas channel, etc. The analytical solution is derived according to the basic physical equations. The performance predicted by the model is in good agreement with the experimental data. The results show that the polarization mainly occurs in the cathode side of the proton exchange membrane fuel cell. The anodic overpotential cannot be neglected. The hydrogen and oxygen concentrations decrease along the channel flow direction. The hydrogen and oxygen concentrations in the catalyst layer decrease with the current density. As predicted by the model, concentration polarization mainly occurs in the cathode side. - Highlights: • A 2D full cell analytical model of a proton exchange membrane fuel cell is developed. • The analytical solution is deduced according to the basic equations. • The anode overpotential is not so small that it cannot be neglected. • Species concentration distributions in the fuel cell is obtained and analyzed.

Ecosystem-Atmosphere Exchange of Carbon, Water and Energy over a Mixed Deciduous Forest in the Midwest

Energy Technology Data Exchange (ETDEWEB)

Danilo Dragoni; Hans Peter Schmid; C.S.B. Grimmond; J.C. Randolph; J.R. White

2012-12-17

During the project period we continued to conduct long-term (multi-year) measurements, analysis, and modeling of energy and mass exchange in and over a deciduous forest in the Midwestern United States, to enhance the understanding of soil-vegetation-atmosphere exchange of carbon. At the time when this report was prepared, results from nine years of measurements (1998 - 2006) of above canopy CO2 and energy fluxes at the AmeriFlux site in the Morgan-Monroe State Forest, Indiana, USA (see Table 1), were available on the Fluxnet database, and the hourly CO2 fluxes for 2007 are presented here (see Figure 1). The annual sequestration of atmospheric carbon by the forest is determined to be between 240 and 420 g C m-2 a-1 for the first ten years. These estimates are based on eddy covariance measurements above the forest, with a gap-filling scheme based on soil temperature and photosynthetically active radiation. Data gaps result from missing data or measurements that were rejected in qua)lity control (e.g., during calm nights). Complementary measurements of ecological variables (i.e. inventory method), provided an alternative method to quantify net carbon uptake by the forest, partition carbon allocation in each ecosystem components, and reduce uncertainty on annual net ecosystem productivity (NEP). Biometric datasets are available on the Fluxnext database since 1998 (with the exclusion of 2006). Analysis for year 2007 is under completion.

Public outcry: madness masks method on Manhattan's energy exchange

International Nuclear Information System (INIS)

Faulkner, P.

2000-01-01

Operation of the NYMEX, a division of the New York Mercantile Exchange that deals almost exclusively in crude oil, heating oil, natural gas, electricity, propane, platinum and palladium trading, is described. The NYMEX where the big forces affecting the market such as OPEC, rising demands, limited oil production and tanker capacity, lagging natural gas supplies, pipeline bottlenecks, and cold snaps are translated into economic values, is considered by insiders as the best guarantee against under- or over-pricing, despite the appearance of bedlam and complete chaos. They consider commodity trading a service rather than an added risk in the energy industry. i. e. the NYMEX is seen as a model of order for transactions on a huge scale, aimed at establishing the value, at any given time under any given circumstances, of standardized energy commodities and sales-volume contracts at agreed points. NYMEX's chief strength is that it provides a completely visible and continuous measurement of value. It is also a factory, generating multiple financial instruments for hedging against risks of unfavorable price movements in the future. The anonymity of the buyers and sellers directing the traders is considered a crucial element of the system, ensuring that the market is about the commodity, not about who is producing or using it. Hedging is a key service wherein sellers (mostly oil companies) sell futures contracts to lock in prices to protect their sources of revenue, should market values fall. Buyers make the deals because they believe that prices will go the other way. Industry insiders maintain that hedgers do not try to make a killing on the market. That is the realm of speculators who are most often high income amateurs. By taking the opposite sides of bids or offers, they provide the market with liquidity

Solar Wind Earth Exchange Project (SWEEP)

Science.gov (United States)

2016-10-28

highly charged ions of the solar wind. The main challenge in predicting the resultant photon flux in the X-ray energy bands is due to the...Newton, an X-ray astronomical observatory. We use OMNI solar wind conditions, heavy ion composition data from ACE, the Hodges neutral hydrogen model...of SWEEP was to compare theoretical models of X-ray emission in the terrestrial magnetosphere caused by the Solar Wind Charge Exchange

Atmosphere-soil-vegetation model including CO2 exchange processes: SOLVEG2

International Nuclear Information System (INIS)

Nagai, Haruyasu

2004-11-01

A new atmosphere-soil-vegetation model named SOLVEG2 (SOLVEG version 2) was developed to study the heat, water, and CO 2 exchanges between the atmosphere and land-surface. The model consists of one-dimensional multilayer sub-models for the atmosphere, soil, and vegetation. It also includes sophisticated processes for solar and long-wave radiation transmission in vegetation canopy and CO 2 exchanges among the atmosphere, soil, and vegetation. Although the model usually simulates only vertical variation of variables in the surface-layer atmosphere, soil, and vegetation canopy by using meteorological data as top boundary conditions, it can be used by coupling with a three-dimensional atmosphere model. In this paper, details of SOLVEG2, which includes the function of coupling with atmosphere model MM5, are described. (author)

Condensed phase QM/MM simulations utilizing the exchange core functions to describe exchange repulsions at the QM boundary region

International Nuclear Information System (INIS)

Umino, Satoru; Takahashi, Hideaki; Morita, Akihiro

2016-01-01

In a recent work, we developed a method [H. Takahashi et al., J. Chem. Phys. 143, 084104 (2015)] referred to as exchange-core function (ECF) approach, to compute exchange repulsion E ex between solute and solvent in the framework of the quantum mechanical (QM)/molecular mechanical (MM) method. The ECF, represented with a Slater function, plays an essential role in determining E ex on the basis of the overlap model. In the work of Takahashi et al. [J. Chem. Phys. 143, 084104 (2015)], it was demonstrated that our approach is successful in computing the hydrogen bond energies of minimal QM/MM systems including a cationic QM solute. We provide in this paper the extension of the ECF approach to the free energy calculation in condensed phase QM/MM systems by combining the ECF and the QM/MM-ER approach [H. Takahashi et al., J. Chem. Phys. 121, 3989 (2004)]. By virtue of the theory of solutions in energy representation, the free energy contribution δμ ex from the exchange repulsion was naturally formulated. We found that the ECF approach in combination with QM/MM-ER gives a substantial improvement on the calculation of the hydration free energy of a hydronium ion. This can be attributed to the fact that the ECF reasonably realizes the contraction of the electron density of the cation due to the deficit of an electron.

Modeling and optimization of a shell and louvered fin mini-tubes heat exchanger in an ORC powered by an internal combustion engine

International Nuclear Information System (INIS)

Mastrullo, Rita; Mauro, Alfonso William; Revellin, Rémi; Viscito, Luca

2015-01-01

Highlights: • New ORC HEX design. • Dedicated model. • On-road uses. • Simulations for real ICEs’ conditions. - Abstract: Waste heat recovery from exhaust gases of internal combustion engines (ICEs) is an interesting option to increase energy conversion efficiency, especially on on-road applications. Organic Rankine cycles (ORCs) fit well the temperature levels available. Current research interests are devoted to the definition of new design solutions to improve each part of the energy conversion process. Concerning the heat recovery, new concepts for heat exchangers are required to reduce their weight, the refrigerant charge and the related environmental concerns. At the same time, a high performance of the whole system must be kept. In this paper, a new design is introduced related to a shell and louvered fin mini-tubes heat exchanger. Modeling and simulation results are presented to define an optimal design in the whole map of working conditions for a heavy duty diesel engine and a light duty gasoline engine, in order to maximize the overall system efficiency (ORC+ICE). The length and weight of the heat exchanger are consistent with the use in automotive and truck applications, while an increase of the overall system efficiency up to 9% can be achieved

Development of a dispatch model of the European power system for coupling with a long-term foresight energy model

International Nuclear Information System (INIS)

Despres, Jacques

2015-12-01

Renewable sources of electricity production are strongly increasing in many parts of the world. The production costs are going down quickly, thus accelerating the deployment of new solar and wind electricity generation. In the long-term, these variable sources of electricity could represent a high share of the power system. However, long-term foresight energy models have difficulties describing precisely the integration challenges of Variable Renewable Energy Sources (VRES) such as wind or solar. They just do not represent the short-term technical constraints of the power sector. The objective of this paper is to show a new approach of the representation of the challenges of variability in the long-term foresight energy model POLES (Prospective Outlook on Long-term Energy Systems). We develop a short-term optimization model for the power sector operation, EUCAD (European Unit Commitment and Dispatch) and we couple it to POLES year after year. The direct coupling, with bi-directional exchanges of information, brings technical precision to the long-term coherence of energy scenarios. (author)

A thermoelectric power generating heat exchanger: Part II – Numerical modeling and optimization

DEFF Research Database (Denmark)

Sarhadi, Ali; Bjørk, Rasmus; Lindeburg, N.

2016-01-01

In Part I of this study, the performance of an experimental integrated thermoelectric generator (TEG)-heat exchanger was presented. In the current study, Part II, the obtained experimental results are compared with those predicted by a finite element (FE) model. In the simulation of the integrated...... TEG-heat exchanger, the thermal contact resistance between the TEG and the heat exchanger is modeled assuming either an ideal thermal contact or using a combined Cooper–Mikic–Yovanovich (CMY) and parallel plate gap formulation, which takes into account the contact pressure, roughness and hardness...

Modelling Age- and Density-Related Gas Exchange of Picea abies Canopies in the Fichtelgebirge, Germany

OpenAIRE

Falge, Eva; Tennhunen, John D.; Ryel, Ronald J.; Alsheimer, Martina; Köstner, Barbara

2000-01-01

International audience; Differences in canopy exchange of water and carbon dioxide that occur due to changes in tree structure and density in montane Norway spruce stands of Central Germany were analyzed with a three dimensional microclimate and gas exchange model STANDFLUX. The model was used to calculate forest radiation absorption, the net photosynthesis and transpiration of single trees, and gas exchange of tree canopies. Model parameterizations were derived for six stands of Picea abies ...

Integration of distributed energy resources into low voltage grid: A market-based multiperiod optimization model

Energy Technology Data Exchange (ETDEWEB)

Mashhour, Elahe; Moghaddas-Tafreshi, S.M. [Faculty of Electrical Engineering, K.N. Toosi University of Technology, Seyd Khandan, P.O. Box 16315-1355, Shariati, Tehran (Iran)

2010-04-15

This paper develops a multiperiod optimization model for an interconnected micro grid with hierarchical control that participates in wholesale energy market to maximize its benefit (i.e. revenues-costs). In addition to the operational constraints of distributed energy resources (DER) including both inter-temporal and non-inter-temporal types, the adequacy and steady-state security constraints of micro grid and its power losses are incorporated in the optimization model. In the presented model, DER are integrated into low voltage grid considering both technical and economical aspects. This integration as a micro grid can participate in wholesale energy market as an entity with dual role including producer and consumer based on the direction of exchanged power. The developed model is evaluated by testing on a micro grid considering different cases and the results are analyzed. (author)

Meson-exchange N-N potential

International Nuclear Information System (INIS)

Nutt, W.T.

1976-01-01

A meson-theoretic model of the intermediate range nucleon-nucleon potential is presented with emphasis placed on the two-pion exchange contribution. The Bethe-Salpeter equation is reduced, by the Blankenbecler-Sugar technique, to a Lippmann-Schwinger equation, from which an approximate nonlocal, energy-dependent potential is obtained. The nucleon-antinucleon pair contribution, which plagues meson-theoretical two-pion calculations, is suppressed by the complex poles of the one-nucleon Green's function. The importance of the retention of the explicit energy dependence of the potential is demonstrated by calculating the off-shell scattering matrices. The potential is presented in a linearized (in energy) form with the core region adjusted to produce a fit to low energy data

URBAN EFFICIENT ENERGY EVALUATION IN HIGH RESOLUTION URBAN AREAS BY USING ADAPTED WRF-UCM AND MICROSYS CFD MODELS

Science.gov (United States)

San Jose, R.; Perez, J. L.; Gonzalez, R. M.

2009-12-01

Urban metabolism modeling has advanced substantially during the last years due to the increased detail in mesoscale urban parameterization in meteorological mesoscale models and CFD numerical tools. Recently the implementation of the “urban canopy model” (UCM) into the WRF mesoscale meteorological model has produced a substantial advance on the understanding of the urban atmospheric heat flux exchanges in the urban canopy. The need to optimize the use of heat energy in urban environment has produced a substantial increase in the detailed investigation of the urban heat flux exchanges. In this contribution we will show the performance of using a tool called MICROSYS (MICRO scale CFD modelling SYStem) which is an adaptation of the classical urban canopy model but on a high resolution environment by using a classical CFD approach. The energy balance in the urban system can be determined in a micrometeorologicl sense by considering the energy flows in and out of a control volume. For such a control volume reaching from ground to a certain height above buildings, the energy balance equation includes the net radiation, the anthropogenic heat flux, the turbulent sensible heat flux, the turbulent latent heat flux, the net storage change within the control volume, the net advected flux and other sources and sinks. We have applied the MICROSYS model to an area of 5 km x 5 km with 200 m spatial resolution by using the WRF-UCM (adapted and the MICROSYS CFD model. The anthropogenic heat flux has been estimated by using the Flanner M.G. (2009) database and detailed GIS information (50 m resolution) of Madrid city. The Storage energy has been estimated by calculating the energy balance according to the UCM procedure and implementing it into the MICROSYS tool. Results show that MICROSYS can be used as an energy efficient tool to estimate the energy balance of different urban areas and buildings.

Energy models for generation planning and midterm operation of hydrothermal power systems

Energy Technology Data Exchange (ETDEWEB)

Amthauer, E

1981-01-01

The aims of generation planning and midterm operation of a power system are reliable and economical load coverage at any moment. For solving some of the planning tasks, it is advantageous to use energy models, if a large amount of power is installed in hydro-storage plants. Energy models apply the probability of load coverage in a given period as a quantitative measure for a power system's reliability provided the availability of the transmission network is given. Reliability may be influenced by installing new plants (longterm) or by committing the existing plants in a particular fashion. An evaluation of these activities makes it possible to determine decisions which optimize a given object function. In this thesis, energy models for the Swiss hydrothermal power system are derived and tested by simulation. For this utility, energy supply during the emptying period of the storage plants in winter is of special interest. Therefore, the criteria for generation planning are derived by analysing the distribution functions of future energy balances in winter periods. The committment of the existing plants and energy exchange with other utilities in a straight following winter period are planned by means of a sequential decision process. It is shown how strategies for these planning tasks are found with the models. Those model parameters, having the highest influence on reliable and economical load coverage are extracted by means of sensitivity analysis.

A macro-physics model of depreciation rate in economic exchange

Science.gov (United States)

Marmont Lobo, Rui F.; de Sousa, Miguel Rocha

2014-02-01

This article aims at a new approach for a known fundamental result: barter or trade increases economic value. It successfully bridges the gap between the theory of value and the exchange process attached to the transition from endowments to the equilibrium in the core and contract curve. First, we summarise the theory of value; in Section 2, we present the Edgeworth (1881) box and an axiomatic approach and in Section 3, we apply our pure exchange model. Finally (in Section 4), using our open econo-physics pure barter (EPB) model, we derive an improvement in value, which means that pure barter leads to a decline in depreciation rate.

Energy modelling software

CSIR Research Space (South Africa)

Osburn, L

2010-01-01

Full Text Available The construction industry has turned to energy modelling in order to assist them in reducing the amount of energy consumed by buildings. However, while the energy loads of buildings can be accurately modelled, energy models often under...

2011 PERFORMANCE ASSESSMENT COMMUNITY OF PRACTICE TECHNICAL EXCHANGE - SUMMARY

Energy Technology Data Exchange (ETDEWEB)

Seitz, R.

2011-12-30

The Performance Assessment Community of Practice (PA CoP) was developed in 2008 to improve consistency and quality in the preparation of performance assessments (PAs) and risk assessments across the Department of Energy (DOE) Complex. The term, PA, is used to represent all of these modeling applications in this report. The PA CoP goals are to foster the exchange of information among PA practitioners and to share lessons learned from PAs conducted for DOE, commercial disposal facilities, and international entities. Technical exchanges and workshops are a cornerstone of PA CoP activities. Previous technical exchanges have addressed Engineered Barriers (2009 - http://www.cresp.org/education/workshops/pacop/), the Advanced Simulation Capability for Environmental Management and the Cementitious Barriers Partnership (2010 - http://srnl.doe.gov/copexchange/links.htm). Each technical exchange also includes summary presentations regarding activities at DOE, the Nuclear Regulatory Commission (NRC) and other organizations (e.g., International Atomic Energy Agency (IAEA)) as well as a number of presentations from selected sites to provide insight and perspective from on-going modeling activities. Through the deployment of PA Assistance Teams, the PA CoP has also been engaged in the development of new PAs across the DOE Complex. As a way of improving consistency in the preparation of new PAs, the teams provide technical advice and share experiences, noteworthy practices, and lessons learned from previous Low-Level Waste Disposal Facility Federal Review Group (LFRG) reviews. Teams have provided support for PAs at Hanford, Idaho, Paducah and Portsmouth. The third annual PA CoP Technical Exchange was held on May 25-26, 2011 in Atlanta, GA. The PA CoP Steering Committee Meeting held its first meeting on May 24 prior to the Technical Exchange. Decision making using models and software quality assurance were the topical emphasis for the exchange. A new feature at the 2011 technical

Capital accumulation, structural change and real exchange rate in a Keynesian-Structuralist growth model

Directory of Open Access Journals (Sweden)

Oreiro José Luis

2015-01-01

Full Text Available The aim of this paper is to show at theoretical level that maintaining a competitive real exchange rate positively affects the economic growth of developing countries by means of a Keynesian-Structuralist model that combines elements of Kaleckian growth models with the balance of payments constrained growth models pioneered developed by Thirlwall. In this setting, the level of real exchange rate is capable, due to its effect over capital accumulation, to induce a structural change in the economy, making endogenous income elasticities of exports and imports. For reasonable parameter values it is shown that in steady-state growth there is two long-run equilibrium values for real exchange rate, one that corresponds to an under-valued currency and another that corresponds to an over-valued currency. If monetary authorities run exchange rate policy in order to target a competitive level for real exchange rate, than under-valued equilibrium is stable and the economy will show a high growth rate in the long-run.

Improved energy efficiency in the process industries

Energy Technology Data Exchange (ETDEWEB)

Pilavachi, P A [Commission of the European Communities, Brussels (Belgium)

1992-12-31

The European Commission, through the JOULE Programme, is promoting energy efficient technologies in the process industries; the topics of the various R and D activities are: heat exchangers (enhanced evaporation, shell and tube heat exchangers including distribution of fluids, and fouling), low energy separation processes (adsorption, melt-crystallization and supercritical extraction), chemical reactors (methanol synthesis and reactors with integral heat exchangers), other unit operations (evaporators, glass-melting furnaces, cement kilns and baking ovens, dryers and packed columns and replacements for R12 in refrigeration), energy and system process models (batch processes, simulation and control of transients and energy synthesis), development of advanced sensors.

The effect of higher order different meson exchange nucleon-nucleon interactions on the three-nucleon binding energy coupling problem

International Nuclear Information System (INIS)

Osman, A.; Ramadan, S.

1989-01-01

Faddeev equations of bound three-nucleon system are presented as a set of integral equations. To solve them, a sutable form of the nucleon-nucleon interactions is used: with the exchange of a scalar meson, a pseudoscalar meson and a massless vector meson. Higher orders of these different meson exchanges in the nucleon-nucleon interactions have been taken into account. With these nuclear forces and nucleon-nucleon interactions, the three-nucleon binding energy is calculated by solving the Faddeev integral equations. The obtained value of the three-nucleon binding energy is 8.441 MeV. The inclusion of the higher order terms of the different meson exchange in the nuclear nucleon-nucleon interaction is found to affect the three-nucleon binding by about 3.92%. 3 figs., 16 refs

Testing the Monetary Model for Exchange Rate Determination in South Africa: Evidence from 101 Years of Data

Directory of Open Access Journals (Sweden)

Riané de Bruyn

2013-03-01

Full Text Available Evidence in favor of the monetary model of exchange rate determination for the South African Rand is, at best, mixed. A co-integrating relationship between the nominal exchange rate and monetary fundamentals forms the basis of the monetary model. With the econometric literature suggesting that the span of the data, not the frequency, determines the power of the co-integration tests and the studies on South Africa primarily using short-span data from the post-Bretton Woods era, we decided to test the long-run monetary model of exchange rate determination for the South African Rand relative to the US Dollar using annual data from 1910 – 2010. The results provide some support for the monetary model in that long-run co-integration is found between the nominal exchange rate and the output and money supply deviations. However, the theoretical restrictions required by the monetary model are rejected. A vector error-correction model identifies both the nominal exchange rate and the monetary fundamentals as the channel for the adjustment process of deviations from the long-run equilibrium exchange rate. A subsequent comparison of nominal exchange rate forecasts based on the monetary model with those of the random walk model suggests that the forecasting performance of the monetary model is superior.

Making work safer: testing a model of social exchange and safety management.

Science.gov (United States)

DeJoy, David M; Della, Lindsay J; Vandenberg, Robert J; Wilson, Mark G

2010-04-01

This study tests a conceptual model that focuses on social exchange in the context of safety management. The model hypothesizes that supportive safety policies and programs should impact both safety climate and organizational commitment. Further, perceived organizational support is predicted to partially mediate both of these relationships. Study outcomes included traditional outcomes for both organizational commitment (e.g., withdrawal behaviors) as well as safety climate (e.g., self-reported work accidents). Questionnaire responses were obtained from 1,723 employees of a large national retailer. Using structural equation modeling (SEM) techniques, all of the model's hypothesized relationships were statistically significant and in the expected directions. The results are discussed in terms of social exchange in organizations and research on safety climate. Maximizing safety is a social-technical enterprise. Expectations related to social exchange and reciprocity figure prominently in creating a positive climate for safety within the organization. Copyright 2010 Elsevier Ltd. All rights reserved.

Modeling and sizing of the heat exchangers of a new supercritical CO{sub 2} Brayton power cycle for energy conversion for fusion reactors

Energy Technology Data Exchange (ETDEWEB)

Serrano, I.P.; Cantizano, A.; Linares, J.I., E-mail: linares@upcomillas.es; Moratilla, B.Y.

2014-10-15

Highlights: •We propose a procedure to model the heat exchangers of a S-CO2 Brayton power cycle. •Discretization in sub-heat exchangers is performed due to complex behavior of CO{sub 2}. •Different correlations have been tested, verifying them with CFD when necessary. •Obtained sizes are agree with usual values of printed circuit heat exchangers. -- Abstract: TECNO{sub F}US is a research program financed by the Spanish Government to develop technologies related to a dual-coolant (He/Pb–Li) breeding blanket design concept including the auxiliary systems for a future power reactor (DEMO). One of the main issues of this program is the optimization of heat recovery from the reactor and its conversion into electrical power. This paper is focused on the methodology employed for the design and sizing of all the heat exchangers of the supercritical CO{sub 2} Brayton power cycle (S-CO2) proposed by the authors. Due to the large pressure difference between the fluids, and also to their compactness, Printed Circuit Heat Exchangers (PCHE) are suggested in literature for these type of cycles. Because of the complex behavior of CO{sub 2}, their design is performed by a numerical discretization into sub-heat exchangers, thus a higher precision is reached when the thermal properties of the fluids vary along the heat exchanger. Different empirical correlations for the pressure drop and the Nusselt number have been coupled and assessed. The design of the precooler (PC) and the low temperature recuperator (LTR) is also verified by simulations using CFD because of the near-critical behavior of CO{sub 2}. The size of all of the heat exchangers of the cycle have been assessed.

The effect of the intermolecular potential formulation on the state-selected energy exchange rate coefficients in N2-N2 collisions.

Science.gov (United States)

Kurnosov, Alexander; Cacciatore, Mario; Laganà, Antonio; Pirani, Fernando; Bartolomei, Massimiliano; Garcia, Ernesto

2014-04-05

The rate coefficients for N2-N2 collision-induced vibrational energy exchange (important for the enhancement of several modern innovative technologies) have been computed over a wide range of temperature. Potential energy surfaces based on different formulations of the intramolecular and intermolecular components of the interaction have been used to compute quasiclassically and semiclassically some vibrational to vibrational energy transfer rate coefficients. Related outcomes have been rationalized in terms of state-to-state probabilities and cross sections for quasi-resonant transitions and deexcitations from the first excited vibrational level (for which experimental information are available). On this ground, it has been possible to spot critical differences on the vibrational energy exchange mechanisms supported by the different surfaces (mainly by their intermolecular components) in the low collision energy regime, though still effective for temperatures as high as 10,000 K. It was found, in particular, that the most recently proposed intermolecular potential becomes the most effective in promoting vibrational energy exchange near threshold temperatures and has a behavior opposite to the previously proposed one when varying the coupling of vibration with the other degrees of freedom. Copyright © 2014 Wiley Periodicals, Inc.

Empirical Results of Modeling EUR/RON Exchange Rate using ARCH, GARCH, EGARCH, TARCH and PARCH models

Directory of Open Access Journals (Sweden)

Andreea – Cristina PETRICĂ

2017-03-01

Full Text Available The aim of this study consists in examining the changes in the volatility of daily returns of EUR/RON exchange rate using on the one hand symmetric GARCH models (ARCH and GARCH and on the other hand the asymmetric GARCH models (EGARCH, TARCH and PARCH, since the conditional variance is time-varying. The analysis takes into account daily quotations of EUR/RON exchange rate over the period of 04th January 1999 to 13th June 2016. Thus, we are modeling heteroscedasticity by applying different specifications of GARCH models followed by looking for significant parameters and low information criteria (minimum Akaike Information Criterion. All models are estimated using the maximum likelihood method under the assumption of several distributions of the innovation terms such as: Normal (Gaussian distribution, Student’s t distribution, Generalized Error distribution (GED, Student’s with fixed df. Distribution, and GED with fixed parameter distribution. The predominant models turned out to be EGARCH and PARCH models, and the empirical results point out that the best model for estimating daily returns of EUR/RON exchange rate is EGARCH(2,1 with Asymmetric order 2 under the assumption of Student’s t distributed innovation terms. This can be explained by the fact that in case of EGARCH model, the restriction regarding the positivity of the conditional variance is automatically satisfied.

Annual simulations of heat pump systems with vertical ground heat exchangers

Energy Technology Data Exchange (ETDEWEB)

Bernier, M.A.; Randriamiarinjatovo, D. [Ecole Polytechnique, Montreal, PQ (Canada). Dept. de Genie Mecanique

2001-06-01

The recent increased popularity in ground-coupled heat pump (GCHP) systems is due to their energy saving potential. However, in order for a GCHP to operate efficiently, they must be sized correctly. This paper presents a method to perform annual simulations of GCHP systems to optimize the length of the ground heat exchanger and provide annual energy consumption data. A computer program has been developed to simulate the building load, heat pump and the ground heat exchanger, the three most distinct parts of the system. The coupled governing equations of these three models are solved simultaneously until a converged solution is obtained at each time step. The simulations are performed using the Engineering Equation Solver (EES). This program has proven to be useful in balancing ground heat exchanger length against heat pump energy consumption.15 refs., 9 figs.

A strategic gaming model for health information exchange markets.

Science.gov (United States)

Martinez, Diego A; Feijoo, Felipe; Zayas-Castro, Jose L; Levin, Scott; Das, Tapas K

2018-03-01

Current market conditions create incentives for some providers to exercise control over patient data in ways that unreasonably limit its availability and use. Here we develop a game theoretic model for estimating the willingness of healthcare organizations to join a health information exchange (HIE) network and demonstrate its use in HIE policy design. We formulated the model as a bi-level integer program. A quasi-Newton method is proposed to obtain a strategy Nash equilibrium. We applied our modeling and solution technique to 1,093,177 encounters for exchanging information over a 7.5-year period in 9 hospitals located within a three-county region in Florida. Under a set of assumptions, we found that a proposed federal penalty of up to $2,000,000 has a higher impact on increasing HIE adoption than current federal monetary incentives. Medium-sized hospitals were more reticent to adopt HIE than large-sized hospitals. In the presence of collusion among multiple hospitals to not adopt HIE, neither federal incentives nor proposed penalties increase hospitals' willingness to adopt. Hospitals' apathy toward HIE adoption may threaten the value of inter-connectivity even with federal incentives in place. Competition among hospitals, coupled with volume-based payment systems, creates no incentives for smaller hospitals to exchange data with competitors. Medium-sized hospitals need targeted actions (e.g., outside technological assistance, group purchasing arrangements) to mitigate market incentives to not adopt HIE. Strategic game theoretic models help to clarify HIE adoption decisions under market conditions at play in an extremely complex technology environment.

Experimental investigation of the dynamic behavior of a large-scale refrigeration – PCM energy storage system. Validation of a complete model

International Nuclear Information System (INIS)

Wu, Jing; Tremeac, Brice; Terrier, Marie-France; Charni, Mehdi; Gagnière, Emilie; Couenne, Françoise; Hamroun, Boussad; Jallut, Christian

2016-01-01

In the area of buildings refrigeration, the use of thermal energy storages coupled with heat pumps is a significant way for reducing the operating costs and optimizing the design of equipment. In this paper, a prototype of large-scale refrigeration - PCM (Phase Change Material) energy storage system is described, from which experimental results on transient behavior are obtained. A dynamic model for transient simulation of the coupled system is presented. The fluid flows through the heat exchangers and the storage tank are represented by a cascade of Continuous Stirred Tank Reactors (CSTRs). Switching procedures between different model configurations associated to phase transitions within heat exchangers and PCM storage tank are mathematically performed by matrix operations. The compressor, the expansion valve and the pressure drop across the evaporator are represented by static models based on empirical correlations. A PI controller for the expansion valve opening is integrated in the heat pump model to maintain the superheat at evaporator exit. The model is validated by a complete and detailed comparison between simulation and experimental results. - Highlights: • Experimental investigation of a refrigeration-PCM storage system is presented. • A detailed dynamic model for the coupled system is proposed. • Fluid flows in heat exchangers and PCM storage are represented by a cascade of CSTRs. • Phase transitions events according to time and space within heat exchangers and PCM storage are considered in the model. • Complete comparisons between experimental and simulation results are carried out.

Modeling of battery energy storage in the National Energy Modeling System

Energy Technology Data Exchange (ETDEWEB)

Swaminathan, S.; Flynn, W.T.; Sen, R.K. [Sentech, Inc., Bethesda, MD (United States)

1997-12-01

The National Energy Modeling System (NEMS) developed by the U.S. Department of Energy`s Energy Information Administration is a well-recognized model that is used to project the potential impact of new electric generation technologies. The NEMS model does not presently have the capability to model energy storage on the national grid. The scope of this study was to assess the feasibility of, and make recommendations for, the modeling of battery energy storage systems in the Electricity Market of the NEMS. Incorporating storage within the NEMS will allow the national benefits of storage technologies to be evaluated.

Eddy covariance measurement of the spatial heterogeneity of surface energy exchanges over Heron Reef, Great Barrier Reef, Australia

Science.gov (United States)

MacKellar, M.; McGowan, H. A.; Phinn, S. R.

2011-12-01

Coral reefs cover 2.8 to 6.0 x 105 km2 of the Earth's surface and are warm, shallow regions that are believed to contribute enhanced sensible and latent heat to the atmosphere, relative to the surrounding ocean. To predict the impact of climate variability on coral reefs and their weather and climate including cloud, winds, rainfall patterns and cyclone genesis, accurate parameterisation of air-sea energy exchanges over coral reefs is essential. This is also important for the parameterisation and validation of regional to global scale forecast models to improve prediction of tropical and sub-tropical marine and coastal weather. Eddy covariance measurements of air-sea fluxes over coral reefs are rare due to the complexities of installing instrumentation over shallow, tidal water. Consequently, measurements of radiation and turbulent flux data for coral reefs have been captured remotely (satellite data) or via single measurement sites downwind of coral reefs (e.g. terrestrial or shipboard instrumentation). The resolution of such measurements and those that have been made at single locations on reefs may not capture the spatial heterogeneity of surface-atmosphere energy exchanges due to the different geomorphic and biological zones on coral reefs. Accordingly, the heterogeneity of coral reefs with regard to substrate, benthic communities and hydrodynamic processes are not considered in the characterization of the surface radiation energy flux transfers across the water-atmosphere interface. In this paper we present a unique dataset of concurrent in situ eddy covariance measurements made on instrumented pontoons of the surface energy balance over different geomorphic zones of a coral reef (shallow reef flat, shallow and deep lagoons). Significant differences in radiation transfers and air-sea turbulent flux exchanges over the reef were highlighted, with higher Bowen ratios over the shallow reef flat. Increasing wind speed was shown to increase flux divergence between

Thermal response test data of five quadratic cross section precast pile heat exchangers

Directory of Open Access Journals (Sweden)

Maria Alberdi-Pagola

2018-06-01

Full Text Available This data article comprises records from five Thermal Response Tests (TRT of quadratic cross section pile heat exchangers. Pile heat exchangers, typically referred to as energy piles, consist of traditional foundation piles with embedded heat exchanger pipes. The data presented in this article are related to the research article entitled “Comparing heat flow models for interpretation of precast quadratic pile heat exchanger thermal response tests” (Alberdi-Pagola et al., 2018 [1]. The TRT data consists of measured inlet and outlet temperatures, fluid flow and injected heat rate recorded every 10 min. The field dataset is made available to enable model verification studies.

Modeling the exchange rate of the euro against the dollar using the ARCH/GARCH models

Directory of Open Access Journals (Sweden)

Kovačević Radovan

2016-01-01

Full Text Available The analysis of time series with conditional heteroskedasticity (changeable time variability, conditional variance instability, the phenomenon called volatility is the main task of ARCH and GARCH models. The aim of these models is to calculate some of the volatility indicators needed for financial decisions. This paper examines the performance of generalized autoregressive conditional heteroscedasticity (GARCH model in modeling the daily changes of the log exchange rate of the euro against the dollar. Several GARCH models have been applied for modeling the daily log exchange rate returns of the euro, with a different number of parameters. The characteristic of estimated GARCH models is that the obtained coefficients of lagged squared residuals and the conditional variance parameters in the equation of conditional variance have a strong statistical significance. The sum of these two coefficients' estimates is close to a unit, which is typical for GARCH models that are applied on the data of financial assets returns. This means that the shocks in the conditional variance equation will be long lasting. The great value of the sum of these two coefficients shows that the high rates of positive or negative returns leads to a large forecasted value of the variance in the prolonged period. The asymmetrical EGARCH (1,1 model has showed the best results in modeling the euro exchange rate returns. The asymmetry term in the conditional variance equation of this model is negative and statistically significant. A negative value of this term suggests that the positive shock has less impact on the conditional variance than the negative shocks. The asymmetric EGARCH (1,1 model provides evidence of a leverage effect.

Development of micro-structured heat exchangers; Developpement d'echangeurs de chaleur microstructures

Energy Technology Data Exchange (ETDEWEB)

Bouzon, C

2004-10-01

This study has been carried out to defend the Technological Diploma of Research, in the aim to develop micro-structured heat exchangers. Realized within the Research Group on the Heat exchangers and Energy (GREThE) of the Atomic Energy Commission (CEA) of Grenoble. The rise of micro-technologies and the optimization of heat exchangers have led to emergence from few years of new structures of fluid paths with scales lower than the millimeter, thus making it possible to produce heat exchangers ultra-compacts. The micro-structured exchangers are heat exchangers whose hydraulic diameters are lower than the millimeter but with external dimensions of several centimeters. The study is based on two patents filed by the CEA and the characterization of these two geometries. A first concept of cross flow type finds applications with Gas/Liquid heat exchanger. A second type, a countercurrent, is more adapted to Liquid/Liquid applications. An approach with simplified analytical models and by numerical simulation was employed for each concept. An experimental study on the Gas/Liquid concept was also carried out. (author)

Dissociative charge exchange of H2+

International Nuclear Information System (INIS)

Bruijn, D. de.

1983-01-01

This thesis is devoted to molecular dissociation, in particular the dissociation of the hydrogen molecule H 2 arising from electron capture of its ion H 2 + in a collision. Thereby the important practical question how a chemical bond can be broken is implicitly addressed. This thesis opens (chapter I) with an overview of the available experimental approaches in molecular physics. Further the simple Demkov model for NRCE is described. In chapter II a novel experimental technique for measurements on dissociative processes is introduced which combines a high efficiency with a high energy resolution. A detailed description of the techniques applied in the detector, which has a high spatial and timing resolution with 30 μm and 350 psec FWHM respectively for the detection of one particle, is given in chapter III. A semi-classical theory for NRCE in the medium energy range between a diatomic molecular ion and an atom is developed in chapter IV. The experiments on dissociative charge exchange of H 2 + with Ar, Mg, Na and Cs targets at keV energies are described in Chapter V. The predissociation of the c 3 PIsub(u)-state of H 2 populated after charge exchange of H 2 with several targets at keV energies; is the subject of chapter VI. In chapter VII, orientational oscillations in the cross section for charge exchange of H 2 + with alkali targets are discussed. The last chapter deals with predissociation of highly excited states in H 2 . (Auth.)

MODELING AN ION EXCHANGE PROCESS FOR CESIUM REMOVAL FROM ALKALINE RADIOACTIVE WASTE SOLUTIONS

International Nuclear Information System (INIS)

Smith, F.; Hamm, Luther; Aleman, Sebastian; Michael, Johnston

2008-01-01

The performance of spherical Resorcinol-Formaldehyde ion-exchange resin for the removal of cesium from alkaline radioactive waste solutions has been investigated through computer modeling. Cesium adsorption isotherms were obtained by fitting experimental data using a thermodynamic framework. Results show that ion-exchange is an efficient method for cesium removal from highly alkaline radioactive waste solutions. On average, two 1300 liter columns operating in series are able to treat 690,000 liters of waste with an initial cesium concentration of 0.09 mM in 11 days achieving a decontamination factor of over 50,000. The study also tested the sensitivity of ion-exchange column performance to variations in flow rate, temperature and column dimensions. Modeling results can be used to optimize design of the ion exchange system

Heat transfer analysis of short helical borehole heat exchangers

International Nuclear Information System (INIS)

Zarrella, Angelo; De Carli, Michele

2013-01-01

Highlights: ► Vertical ground heat exchanger with a helical shaped pipe is analyzed. ► The model considers the interaction between the ground and the environment. ► The results of the model are in good agreement with the experimental values. ► The weather conditions considerably affect the fluid heat carrier temperature. ► The pitch between the turns does not affect the behaviour of the heat exchanger. -- Abstract: In this paper a numerical model to analyze the thermal behaviour of vertical ground heat exchangers with a helical shaped pipe is presented. This type of configuration can be a suitable alternative to conventional ground heat exchangers, especially when the heating and cooling loads of the building are very low. The model describes the heat transfer problem by means of a network of interconnected thermal resistances and capacitances. Moreover, as the investigated ground heat exchanger is usually installed in shallow depth, the model takes into account the interaction between the ground and the ambient environment which affects the fluid heat carrier temperature into the heat exchanger and, as a consequence, the energy efficiency of the heat pump. After a sensitivity analysis on the mesh parameters, the presented model is compared with experimental data and the simulation results show good agreement with the measurements. Finally, analyses to investigate the influence of the weather conditions, of the axial heat transfer and of the pitch between the turns of the helical pipe for two types of ground are carried out.

High-Temperature Structural Analysis Model of the Process Heat Exchanger for Helium Gas Loop (II)

International Nuclear Information System (INIS)

Song, Kee Nam; Lee, Heong Yeon; Kim, Chan Soo; Hong, Seong Duk; Park, Hong Yoon

2010-01-01

PHE (Process Heat Exchanger) is a key component required to transfer heat energy of 950 .deg. C generated in a VHTR (Very High Temperature Reactor) to the chemical reaction that yields a large quantity of hydrogen. Korea Atomic Energy Research Institute established the helium gas loop for the performance test of components, which are used in the VHTR, and they manufactured a PHE prototype to be tested in the loop. In this study, as part of the high temperature structural-integrity evaluation of the PHE prototype, which is scheduled to be tested in the helium gas loop, we carried out high-temperature structural-analysis modeling, thermal analysis, and thermal expansion analysis of the PHE prototype. The results obtained in this study will be used to design the performance test setup for the PHE prototype

Frontiers in propulsion research: Laser, matter-antimatter, excited helium, energy exchange thermonuclear fusion

Science.gov (United States)

Papailiou, D. D. (Editor)

1975-01-01

Concepts are described that presently appear to have the potential for propulsion applications in the post-1990 era of space technology. The studies are still in progress, and only the current status of investigation is presented. The topics for possible propulsion application are lasers, nuclear fusion, matter-antimatter annihilation, electronically excited helium, energy exchange through the interaction of various fields, laser propagation, and thermonuclear fusion technology.

U.S. DOE’s Energy Treasure Hunt Exchange In-Plant Trainings – DOE Resources, Early Results and Lessons Learned

Energy Technology Data Exchange (ETDEWEB)

Nimbalkar, Sachin U. [ORNL; Brockway, Walter F. [ORNL; Lung, Bruce [U.S. Department of Energy (DOE); Thirumaran, Kiran [ORNL; Wenning, Thomas J. [ORNL

2017-06-01

The primary objective of the Department of Energy’s (DOE) Energy Treasure Hunt In-Plant Training (INPLT) is to train Better Plants partner employees to lead and conduct future energy efficiency Treasure Hunts within their facilities without DOE assistance. By taking a “learning-by-doing” approach, this INPLT, like other DOE INPLT trainings, has the added benefit of uncovering real energy and cost-saving opportunities. This INPLT leverages DOE and Better Plants technical staff, resources and tools and the EPA “Energy Treasure Hunt Guide: Simple Steps to Finding Energy Savings” process. While Treasure Hunts are a relatively well-known approach to identifying energy-savings in manufacturing plants, DOE is adding several additional elements in its Treasure Hunt Exchanges. The first element is technical assistance and methodology. DOE provides high-quality technical resources, such as energy efficiency calculators, fact sheets, source books etc., to facilitate the Treasure Hunt process and teaches four fundamentals: 1) how to profile equipment, 2) how to collect data, and 3), data & ROI calculation methodologies. Another element is the “train the trainer” approach wherein the training facilitator will train at least one partner employee to facilitate future treasure hunts. Another element is that DOE provides energy diagnostic equipment and teaches the participants how to use them. Finally, DOE also offers partners the opportunity to exchange teams of employees either within a partners’ enterprise or with other partners to conduct the treasure hunt in each other’s facilities. This exchange of teams is important because each team can bring different insights and uncover energy-saving opportunities that would otherwise be missed. This paper will discuss DOE methodology and the early results and lessons learned from DOE’S Energy Treasure Hunt In-Plant Trainings at Better Plants Partner facilities.

A cost optimization model for 100% renewable residential energy supply systems

DEFF Research Database (Denmark)

Milan, Christian; Bojesen, Carsten; Nielsen, Mads Pagh

2012-01-01

The concept of net zero energy buildings (Net ZEB) has received increased attention throughout the last years. A well adapted and optimized design of the energy supply system is crucial for the performance of these buildings. To achieve this, a holistic approach is needed which accounts for the i......The concept of net zero energy buildings (Net ZEB) has received increased attention throughout the last years. A well adapted and optimized design of the energy supply system is crucial for the performance of these buildings. To achieve this, a holistic approach is needed which accounts......'s involving on-site production of heat and electricity in combination with electricity exchanged with the public grid. The model is based on linear programming and determines the optimal capacities for each relevant supply technology in terms of the overall system costs. It has been successfully applied...

A relativistic, meson exchange model of pion-nucleon scattering

International Nuclear Information System (INIS)

Pearces, B.C.; Jennings, B.K.

1990-06-01

A relativistic meson exchange approach to the pion-nucleon interaction is developed using a three-dimensional relativistic two-body propagator, and the results using different propagators are compared. The relativistic approach is able to describe low energy scattering up to 400 MeV above threshold, while preserving the soft pion theorems. The different propagators give similar results, as the form factors necessary to get a fit suppress much of the multiple scattering. (Author) (24 refs., 4 tabs., 6 figs.)

Probing nuclear correlations with pion-nucleus double charge exchange

International Nuclear Information System (INIS)

Ginocchio, J.N.

1988-01-01

In this paper we have calculated the lowest order pion double charge reaction mechanism using shell model wavefunctions of medium weight nuclei. We have the sequential reaction mechanism in which the pion undergoes two single-charge exchange scatterings on the valence neutrons. The distortion of the incoming, intermediate, and outgoing pion are included. The closure approximation is made for the intermediate states with an average excitation energy used in the pion propagator. The double-charge exchange is assumed to take place on the valence nucleons which are assumed to be in one spherical shell model orbital. 34 refs., 5 figs., 3 tabs

Two models for the dynamics of a cross flow heat exchanger

Energy Technology Data Exchange (ETDEWEB)

Hopkinson, A [Control and Instrumentation Division, Atomic Energy Establishment, Winfrith, Dorchester, Dorset (United Kingdom)

1962-12-15

Two models of a cross flow heat exchanger, a concentric tube counter flow model and a cross flow model, are studied theoretically. Differential equations describing the behaviour of the models are derived and from them equations for the steady state temperatures and the temperature transfer functions are obtained. (author)

Modeling and predicting historical volatility in exchange rate markets

Science.gov (United States)

Lahmiri, Salim

2017-04-01

Volatility modeling and forecasting of currency exchange rate is an important task in several business risk management tasks; including treasury risk management, derivatives pricing, and portfolio risk evaluation. The purpose of this study is to present a simple and effective approach for predicting historical volatility of currency exchange rate. The approach is based on a limited set of technical indicators as inputs to the artificial neural networks (ANN). To show the effectiveness of the proposed approach, it was applied to forecast US/Canada and US/Euro exchange rates volatilities. The forecasting results show that our simple approach outperformed the conventional GARCH and EGARCH with different distribution assumptions, and also the hybrid GARCH and EGARCH with ANN in terms of mean absolute error, mean of squared errors, and Theil's inequality coefficient. Because of the simplicity and effectiveness of the approach, it is promising for US currency volatility prediction tasks.

Condensed phase QM/MM simulations utilizing the exchange core functions to describe exchange repulsions at the QM boundary region

Energy Technology Data Exchange (ETDEWEB)

Umino, Satoru; Takahashi, Hideaki, E-mail: hideaki@m.tohoku.ac.jp; Morita, Akihiro [Department of Chemistry, Graduate School of Science, Tohoku University, Sendai, Miyagi 980-8578 (Japan)

2016-08-28

In a recent work, we developed a method [H. Takahashi et al., J. Chem. Phys. 143, 084104 (2015)] referred to as exchange-core function (ECF) approach, to compute exchange repulsion E{sub ex} between solute and solvent in the framework of the quantum mechanical (QM)/molecular mechanical (MM) method. The ECF, represented with a Slater function, plays an essential role in determining E{sub ex} on the basis of the overlap model. In the work of Takahashi et al. [J. Chem. Phys. 143, 084104 (2015)], it was demonstrated that our approach is successful in computing the hydrogen bond energies of minimal QM/MM systems including a cationic QM solute. We provide in this paper the extension of the ECF approach to the free energy calculation in condensed phase QM/MM systems by combining the ECF and the QM/MM-ER approach [H. Takahashi et al., J. Chem. Phys. 121, 3989 (2004)]. By virtue of the theory of solutions in energy representation, the free energy contribution δμ{sub ex} from the exchange repulsion was naturally formulated. We found that the ECF approach in combination with QM/MM-ER gives a substantial improvement on the calculation of the hydration free energy of a hydronium ion. This can be attributed to the fact that the ECF reasonably realizes the contraction of the electron density of the cation due to the deficit of an electron.

Effective exchange potentials for electronically inelastic scattering

International Nuclear Information System (INIS)