[HTML][HTML] Accurate statistical associating fluid theory for chain molecules formed from Mie segments

T Lafitte, A Apostolakou, C Avendaño… - The Journal of …, 2013 - pubs.aip.org
A highly accurate equation of state (EOS) for chain molecules formed from spherical
segments interacting through Mie potentials (ie, a generalized Lennard-Jones form with …

Characterization of crude oils and asphaltenes using the PC-SAFT EoS: A systematic review

N Seitmaganbetov, N Rezaei, A Shafiei - Fuel, 2021 - Elsevier
In this paper, we present a systematic review of the perturbed-chain statistical associating
fluid theory equation of state (PC-SAFT) EoS for thermodynamic modeling with application in …

[HTML][HTML] Thermodynamic modeling of hydrogen–water systems with gas impurity at various conditions using cubic and PC-SAFT equations of state

A Alanazi, S Bawazeer, M Ali, A Keshavarz… - Energy Conversion and …, 2022 - Elsevier
Hydrogen (H 2) has emerged as a viable solution for energy storage of renewable sources,
supplying off-seasonal demand. Hydrogen contamination due to undesired mixing with …

Clapeyron. jl: an extensible, open-source fluid thermodynamics toolkit

PJ Walker, HW Yew, A Riedemann - Industrial & Engineering …, 2022 - ACS Publications
Thermodynamic models are often vital when characterizing complex systems, particularly
natural gas, electrolyte, polymer, pharmaceutical, and biological systems. However, their …

Influence of dispersive long-range interactions on transport and excess properties of simple mixtures

D Fertig, S Stephan - Molecular Physics, 2023 - Taylor & Francis
The influence of dispersive long-range interactions on liquid bulk phase transport and
excess properties of six binary Lennard–Jones (LJ) mixtures was studied by molecular …

Standardized critical point-based numerical solution of statistical association fluid theory parameters: the perturbed chain-statistical association fluid theory equation of …

I Polishuk - Industrial & Engineering Chemistry Research, 2014 - ACS Publications
The current study has aimed at developing an approach replacing the lists of the compound-
specific molecular parameters attached to perturbed chain-statistical association fluid theory …

Modeling the CO2 Solubility in Aqueous Electrolyte Solutions Using ePC-SAFT

D Pabsch, C Held, G Sadowski - Journal of Chemical & …, 2020 - ACS Publications
Carbon dioxide (CO2) solubility in aqueous electrolyte solutions is of special interest for
carbon capture and storage and for biochemical processes, particularly at moderate to high …

Modeling the solubility of carbon dioxide in imidazolium-based ionic liquids with the PC-SAFT equation of state

Y Chen, F Mutelet, JN Jaubert - The Journal of Physical Chemistry …, 2012 - ACS Publications
The goal of this work was to check the ability of the PC-SAFT equation to represent the
solubility of carbon dioxide (CO2) in ionic liquids. Parameters of pure imidazolium-based …

Experimental measurements and correlation of vapor–liquid equilibrium and critical data for the CO2+ R1234yf and CO2+ R1234ze (E) binary mixtures

N Juntarachat, A Valtz, C Coquelet, R Privat… - International Journal of …, 2014 - Elsevier
Isothermal (Pxy) vapor–liquid equilibrium data for the CO 2+ 2, 3, 3, 3-tetrafluoroprop-1-ene
(R1234yf) binary system are reported at seven temperatures ranging from 283.15 K to …

Estimation of pure component parameters of PC-SAFT EoS by an artificial neural network based on a group contribution method

H Matsukawa, M Kitahara, K Otake - Fluid Phase Equilibria, 2021 - Elsevier
In this study, we introduced an artificial neural network (ANN), which can represent objects
that are difficult to formulate, rather than the integrated model of the group contribution …