Quantum chemical studies on the simultaneous interaction of thiophene and pyridine with ionic liquid

R Anantharaj, T Banerjee - AIChE Journal, 2011 - Wiley Online Library
The simultaneous interaction of thiophene and pyridine with different ionic liquids: 1‐butyl‐1‐
methylpyrrolidinium tetrafluoroborate ([BPYRO][BF4]), 1‐butyl‐1‐methylpyrrolidinium …

Evaluation and comparison of global scalar properties for the simultaneous interaction of ionic liquids with thiophene and pyridine

R Anantharaj, T Banerjee - Fluid Phase Equilibria, 2010 - Elsevier
Ab initio studies were carried out with mixtures containing ionic liquid with thiophene and
pyridine for studying the simultaneous interaction. Global scalar properties such as …

Overview of activity coefficient of thiophene at infinite dilution in ionic liquids and their modeling using COSMO-RS

P Matheswaran, CD Wilfred, KA Kurnia… - Industrial & …, 2016 - ACS Publications
Ionic liquids (ILs) gained a lot of attention, from both academe and industry, as alternative
liquids for different types of applications. Chemical and physical characteristics can be …

Comparative study on interactions between ionic liquids and pyridine/hexane

R Lü, Z Qu, H Yu, F Wang, S Wang - Chemical Physics Letters, 2012 - Elsevier
Density functional calculations have been performed to investigate the interactions of two
neutral ionic liquids of 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM]+[PF6]−) …

Ab initio calculations of the interaction between thiophene and ionic liquids

J Zhou, J Mao, S Zhang - Fuel Processing Technology, 2008 - Elsevier
The fundamental natures of the interaction between thiophene and ionic liquids of 1-n-butyl-
3-methylimidazolium hexafluorophosphate ([BMIM]+[PF6]−) and 1-n-butyl-3 …

The electronic and topological properties of interactions between 1-butyl-3-methylimidazolium hexafluorophosphate/tetrafluoroborate and thiophene

R Lü, Z Qu, H Yu, F Wang, S Wang - Journal of Molecular Graphics and …, 2012 - Elsevier
Density functional calculations have been performed to explore the interactions of thiophene
and two ionic liquids of 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM]+[PF6]−) …

Evaluation of molecular interaction in binary mixture of ionic liquids+ heterocyclic nitrogen compounds: Ab initio method and cosmo-rs model

HF Hizaddin, MA Hashim… - Industrial & engineering …, 2013 - ACS Publications
Ab initio method was applied to investigate the interaction between six heterocyclic nitrogen
compounds with 18 ionic liquids. Important quantum chemical descriptors like orbital energy …

Behaviour of 1-butyl-3-methylimidazolium chloride, 1-butyl-3-methylimdazolium thiocyanate and 1-butyl-1-methypyrrolidium chloride in dimethyl sulfoxide …

S Kumar, TA Lelisho, I Bahadur, T Singh - Journal of Molecular Liquids, 2024 - Elsevier
The aim of this study is to examine the cation and anion influence on intermolecular
interactions of mixtures comprising ionic liquids (ILs): 1-butyl-3-methylimidazolium chloride …

Influence of temperature and concentration on the molecular interactions of pyrrolidinium-based ionic liquid with water and alcohols: An experimental and DFT studies

PK Kumar, MM Kabanda, I Bahadur… - Journal of Molecular …, 2022 - Elsevier
The purpose of the present work is to explore the influence of concentration and temperature
on solute–solvent interactions of binary mixtures of ionic liquid (IL) 1-methyl-1-propyl …

Experimental and theoretically study of interaction between organic compounds and tricyanomethanide based ionic liquids

E Lukoshko, F Mutelet, U Domanska - The Journal of Chemical …, 2015 - Elsevier
Activity coefficients at infinite dilution (γ 1, 2∞) for 35 solutes in two new tricyanomethanide
containing Ionic Liquids were measured by inverse gas chromatography at temperatures …