Quantum chemistry-driven machine learning approach for the prediction of the surface tension and speed of sound in ionic liquids
Ionic liquids (ILs) have unique solvent properties and have thus garnered significant interest.
However, exhaustive experimental determination of the physicochemical properties of ILs is …
However, exhaustive experimental determination of the physicochemical properties of ILs is …
Predicting the solubility of gases in imidazolium-based ionic liquids with SAFT-VR Mie EoS by a novel approach based on COSMO
CS Beraldo, X Liang, LA Follegatti-Romero - Chemical Engineering …, 2024 - Elsevier
This theoretical study presents a novel approach to predict the solubility of CO 2 and CH 4 in
Ionic Liquids (ILs) under various pressures and temperatures using the predictive SAFT-VR …
Ionic Liquids (ILs) under various pressures and temperatures using the predictive SAFT-VR …
Developing a two-grade model for the thermal conductivity of ionic liquids and their mixtures
C Wang, X Wei, X Jin, J Li, M He - Chemical Engineering Science, 2024 - Elsevier
Thermal conductivity (λ) is a crucial factor in the screening and design of ionic liquids (ILs)
with desired thermal properties. Given the time consumption and computational …
with desired thermal properties. Given the time consumption and computational …
[HTML][HTML] Predicting imidazolium ionic liquid properties with a simple molecular volume-based SAFT-VR Mie approach
CS Beraldo, X Liang, LA Follegatti-Romero - Chemical Engineering …, 2024 - Elsevier
Each thermodynamic model requires a distinct set of parameters for each component and
these parameters must be transferable beyond their original estimation domain to accurately …
these parameters must be transferable beyond their original estimation domain to accurately …
Prediction of ionic liquids solubility parameter using PC-SAFT equation of state
T Luo, R Shariyati - Journal of Molecular Liquids, 2023 - Elsevier
In this work, the solubility parameters of three families of ionic liquids (ILs) have been
predicted using the PC-SAFT equation of state (EoS). The effect of association interaction …
predicted using the PC-SAFT equation of state (EoS). The effect of association interaction …
Machine learning models for the density and heat capacity of ionic liquid-water binary mixtures
Y Fu, X Liu, J Gao, Y Lei, Y Chen, X Zhang - Chinese Journal of Chemical …, 2024 - Elsevier
Ionic liquids (ILs), because of the advantages of low volatility, good thermal stability, high
gas solubility and easy recovery, can be regarded as the green substitute for traditional …
gas solubility and easy recovery, can be regarded as the green substitute for traditional …
The SAFT-VR Morse equation of state for liquid alkali metals
TJ Kazem, A Alsalamy, ZI Al Mashhadani, R Abbass… - Fluid Phase …, 2023 - Elsevier
In this work, the thermo-physical properties of liquid alkali metals using the SAFT-VR Morse
equation of state (EoS) have been estimated. The saturated liquid density, compressed …
equation of state (EoS) have been estimated. The saturated liquid density, compressed …
Development of Volume Translation Models for PC-SAFT Equation of State
J Shi - 2024 - era.library.ualberta.ca
Statistical associating fluid theory (SAFT)-type equations of states (EOSs) are commonly
utilized in the chemical and petroleum industry to model the phase behavior of both pure …
utilized in the chemical and petroleum industry to model the phase behavior of both pure …