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description Publicationkeyboard_double_arrow_right Article , Journal 2022Embargo end date: 28 Apr 2022 Switzerland, SwitzerlandPublisher:Elsevier BV Funded by:NSERC, SNSF | Innovative Computational ...NSERC ,SNSF| Innovative Computational Methods for Ultra-Fast Simulations of Coupled Physical and Chemical Processes Using Machine Learning and GPU Parallel ComputingIn a forward chemical equilibrium problem (FCEP), the state of minimum Gibbs energy for a chemical system is sought, in which temperature, pressure, elemental amounts, and thermodynamic model parameters are prescribed. We herein present a mathematical framework for characterizing and solving inverse chemical equilibrium problems (ICEP), a class of problems for which one or more of those prescribed conditions in a FCEP are unknown in advance. In an ICEP, complementary conditions must be imposed, which are referred to here as equilibrium constraints. Examples of ICEPs include those in which a certain property is known at equilibrium (e.g., volume is specified instead of pressure; enthalpy is specified instead of temperature; pH is specified instead of the amount of element H). The equilibrium constraints may also be specified by equations that govern the relationship between several equilibrium properties (e.g., the equations relating temperature, pressure, density, energy, and velocity of the gases produced during the detonation of an explosive). Chemical Engineering Science, 252 ISSN:0009-2509
add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.ces.2021.117162&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen hybrid 4 citations 4 popularity Average influence Average impulse Average Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.ces.2021.117162&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article 2024Publisher:Elsevier BV Funded by:NSERCNSERCAuthors:William R. Smith;
Hamdah Tahir;William R. Smith
William R. Smith in OpenAIREAllan M.M. Leal;
Allan M.M. Leal
Allan M.M. Leal in OpenAIRERenewable and Sustai... arrow_drop_down Renewable and Sustainable Energy ReviewsArticle . 2024 . Peer-reviewedLicense: Elsevier TDMData sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.rser.2023.113935&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu5 citations 5 popularity Average influence Average impulse Top 10% Powered by BIP!
more_vert Renewable and Sustai... arrow_drop_down Renewable and Sustainable Energy ReviewsArticle . 2024 . Peer-reviewedLicense: Elsevier TDMData sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.rser.2023.113935&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2017Publisher:Elsevier BV Authors: Nagasree Garapati; Nagasree Garapati; Nagasree Garapati;Stuart D.C. Walsh;
+3 AuthorsStuart D.C. Walsh
Stuart D.C. Walsh in OpenAIRENagasree Garapati; Nagasree Garapati; Nagasree Garapati;Stuart D.C. Walsh;
Stuart D.C. Walsh
Stuart D.C. Walsh in OpenAIREMartin O. Saar;
Martin O. Saar;Martin O. Saar
Martin O. Saar in OpenAIREAllan M.M. Leal;
Allan M.M. Leal
Allan M.M. Leal in OpenAIREAbstract We investigate how subsurface fluids of different compositions affect the electricity generation of geothermal power plants. First, we outline a numerical model capable of accounting for the thermophysical properties of geothermal fluids of arbitrary composition within simulations of geothermal power production. The behavior of brines with varying compositions from geothermal sites around the globe are then examined using the model. The effect of each brine on an idealized binary geothermal power plant is simulated, and their performances compared by calculating the amount of heat exchanged from the fluid to the plant's secondary cycle. Our simulations combine (1) a newly developed Non-linear Equation System Solver (NESS), for simulating individual geothermal power plant components, (2) the advanced geochemical speciation solver, Reaktoro, used for calculation of thermodynamic fluid properties, and (3) compositional models for the calculation of fluid-dynamical properties (e.g., viscosity as a function of temperature and brine composition). The accuracy of the model is verified by comparing its predictions with experimental data from single-salt, binary-salt, and multiple-salt solutions. The geothermal power plant simulations show that the brines considered in this study can be divided into three main categories: (1) those of largely meteoric origin with low salinity for which the effect of salt concentration is negligible; (2) moderate-depth brines with high concentrations of Na + and K + ions, whose performance is well approximated by pure NaCl solutions of equivalent salinity; and (3) deeper, high-salinity brines that require a more detailed consideration of their composition for accurate simulation of plant operations.
add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.geothermics.2017.06.008&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu15 citations 15 popularity Top 10% influence Average impulse Top 10% Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.geothermics.2017.06.008&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu