The adjustable parameters in the popular conductor-like screening model for real solvents
(COSMO-RS) within the Amsterdam density functional (ADF) framework have been re …

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 …

This paper reports a comprehensive evaluation of the conductor-like screening model for
real solvents (COSMO-RS) in predicting infinite dilution activity coefficients (γ∞) of …

Here we examine the application of the COSMO-SAC model to phase equilibrium
calculations of solutions containing ionic liquids (ILs). As there is uncertainty about the …

Prediction of thermodynamic behavior is essential for the early design stage of separation
processes including solvent selection, process optimization, and its performance evaluation …

A novel method based on unimolecular quantum mechanical calculation has been used to
predict the binary vapor− liquid equilibria (VLE) of ionic liquids (ILs). The recently developed …

Cinnamic acid derivatives are natural antioxidants with increasing interest and application
trend by the food, pharmaceutical and cosmetics industries, which create a wide research …

In this work, the ion-specific electrolyte perturbed-chain statistical associating fluid theory
(ePC-SAFT) was extended to predict the second-order thermodynamic derivative properties …

Henry's constant H of carbon dioxide in a number of ionic liquids (ILs) has been studied
using the predictive method COnductor-like Screening MOdel for Realistic Solvation …

Two types of predictive thermodynamic models, ie, the UNIFAC model and GCLF EOS
(group contribution lattice fluid equation of state), were applied to predict the solubility of …