Quantum chemistry-driven machine learning approach for the prediction of the surface tension and speed of sound in ionic liquids

M Mohan, MD Smith, ON Demerdash… - ACS Sustainable …, 2023 - ACS Publications
Ionic liquids (ILs) have unique solvent properties and have thus garnered significant interest.
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 …

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 …

[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 …

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 …

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 …

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 …

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 …