Molecular simulation data for the vapor-liquid phase equilibria of binary mixtures of HFO-1123 with R-32, R-1234yf, R-1234ze(E), R-134a and CO(2) and their modelling by the PCP-SAFT equation of state

In this Data in Brief article, we present predictive data for the vapor-liquid equilibria of the binary mixtures of HFO-1123 with R-32, HFO-1234yf, HFO-1234ze(E), R-134a and CO(2) from molecular simulation. The VLE in the binary mixtures are then modeled by the PCP-SAFT equation of state. Therefore...

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Autor principal: Raabe, Gabriele
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Chemical Engineering
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6661389/
https://www.ncbi.nlm.nih.gov/pubmed/31384637
http://dx.doi.org/10.1016/j.dib.2019.104014
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author Raabe, Gabriele
author_facet Raabe, Gabriele
author_sort Raabe, Gabriele
collection PubMed
description In this Data in Brief article, we present predictive data for the vapor-liquid equilibria of the binary mixtures of HFO-1123 with R-32, HFO-1234yf, HFO-1234ze(E), R-134a and CO(2) from molecular simulation. The VLE in the binary mixtures are then modeled by the PCP-SAFT equation of state. Therefore we determined PCP-SAFT parameters for the pure HFO compounds as well as binary interaction parameters for all mixtures. The simulation data and the PCP-SAFT modelling are discussed in a related research article (Raabe, 2019).
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spelling pubmed-66613892019-08-05 Molecular simulation data for the vapor-liquid phase equilibria of binary mixtures of HFO-1123 with R-32, R-1234yf, R-1234ze(E), R-134a and CO(2) and their modelling by the PCP-SAFT equation of state Raabe, Gabriele Data Brief Chemical Engineering In this Data in Brief article, we present predictive data for the vapor-liquid equilibria of the binary mixtures of HFO-1123 with R-32, HFO-1234yf, HFO-1234ze(E), R-134a and CO(2) from molecular simulation. The VLE in the binary mixtures are then modeled by the PCP-SAFT equation of state. Therefore we determined PCP-SAFT parameters for the pure HFO compounds as well as binary interaction parameters for all mixtures. The simulation data and the PCP-SAFT modelling are discussed in a related research article (Raabe, 2019). Elsevier 2019-05-24 /pmc/articles/PMC6661389/ /pubmed/31384637 http://dx.doi.org/10.1016/j.dib.2019.104014 Text en © 2019 The Author(s) http://creativecommons.org/licenses/by/4.0/ This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Chemical Engineering
Raabe, Gabriele
Molecular simulation data for the vapor-liquid phase equilibria of binary mixtures of HFO-1123 with R-32, R-1234yf, R-1234ze(E), R-134a and CO(2) and their modelling by the PCP-SAFT equation of state
title Molecular simulation data for the vapor-liquid phase equilibria of binary mixtures of HFO-1123 with R-32, R-1234yf, R-1234ze(E), R-134a and CO(2) and their modelling by the PCP-SAFT equation of state
title_full Molecular simulation data for the vapor-liquid phase equilibria of binary mixtures of HFO-1123 with R-32, R-1234yf, R-1234ze(E), R-134a and CO(2) and their modelling by the PCP-SAFT equation of state
title_fullStr Molecular simulation data for the vapor-liquid phase equilibria of binary mixtures of HFO-1123 with R-32, R-1234yf, R-1234ze(E), R-134a and CO(2) and their modelling by the PCP-SAFT equation of state
title_full_unstemmed Molecular simulation data for the vapor-liquid phase equilibria of binary mixtures of HFO-1123 with R-32, R-1234yf, R-1234ze(E), R-134a and CO(2) and their modelling by the PCP-SAFT equation of state
title_short Molecular simulation data for the vapor-liquid phase equilibria of binary mixtures of HFO-1123 with R-32, R-1234yf, R-1234ze(E), R-134a and CO(2) and their modelling by the PCP-SAFT equation of state
title_sort molecular simulation data for the vapor-liquid phase equilibria of binary mixtures of hfo-1123 with r-32, r-1234yf, r-1234ze(e), r-134a and co(2) and their modelling by the pcp-saft equation of state
topic Chemical Engineering
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6661389/
https://www.ncbi.nlm.nih.gov/pubmed/31384637
http://dx.doi.org/10.1016/j.dib.2019.104014
work_keys_str_mv AT raabegabriele molecularsimulationdataforthevaporliquidphaseequilibriaofbinarymixturesofhfo1123withr32r1234yfr1234zeer134aandco2andtheirmodellingbythepcpsaftequationofstate

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