Advances in applications of ionic liquids for phase change CO2 capture

W Jiang, X Li, G Gao, F Wu, C Luo, L Zhang - Chemical Engineering …, 2022 - Elsevier
Research and development of novel absorbents with high efficiency and low energy
consumption is the key to achieve large-scale carbon dioxide (CO 2) emissions reduction by …

Toward the proactive design of sustainable chemicals: Ionic liquids as a prime example

S Beil, M Markiewicz, CS Pereira, P Stepnowski… - Chemical …, 2021 - ACS Publications
The tailorable and often unique properties of ionic liquids (ILs) drive their implementation
into a broad variety of seminal technologies. The modular design of ILs allows in this context …

A comparison of methods for melting point calculation using molecular dynamics simulations

Y Zhang, EJ Maginn - The Journal of chemical physics, 2012 - pubs.aip.org
Accurate and efficient prediction of melting points for complex molecules is still a
challenging task for molecular simulation, although many methods have been developed …

Toxicity of ionic liquids: database and prediction via quantitative structure–activity relationship method

Y Zhao, J Zhao, Y Huang, Q Zhou, X Zhang… - Journal of hazardous …, 2014 - Elsevier
A comprehensive database on toxicity of ionic liquids (ILs) is established. The database
includes over 4000 pieces of data. Based on the database, the relationship between IL's …

Prediction of ionic liquid properties. I. Volumetric properties as a function of temperature at 0.1 MPa

J Jacquemin, R Ge, P Nancarrow… - Journal of Chemical & …, 2008 - ACS Publications
The prediction of molar volumes and densities of several ionic liquids has been achieved
using a group contribution model as a function of temperature between (273 and 423) K at …

Desulfurisation of oils using ionic liquids: selection of cationic and anionic components to enhance extraction efficiency

JD Holbrey, I López-Martin, G Rothenberg… - Green …, 2008 - pubs.rsc.org
Extraction of dibenzothiophene from dodecane using ionic liquids as the extracting phase
has been investigated for a range of ionic liquids with varying cation classes (imidazolium …

Ionic liquid properties

Y Marcus - From Molten Salts to RTILs. Cham, sl: Springer …, 2016 - Springer
This book deals with ionic liquids, ie, with single substances in their liquid state of
aggregation that are dissociated into ions to a major extent. Because of the enormous …

Anion and cation effects on imidazolium salt melting points: a descriptor modelling study

I López‐Martin, E Burello, PN Davey… - …, 2007 - Wiley Online Library
The challenge of predicting the melting point of ionic liquids is outlined. A descriptor
modelling approach for two separate sets of ionic liquids is presented. In each case, the …

Predicting ionic liquid melting points using machine learning

V Venkatraman, S Evjen, HK Knuutila… - Journal of Molecular …, 2018 - Elsevier
The melting point (T m) of an ionic liquid (IL) is of crucial importance in many applications.
The T m can vary considerably depending on the choice of the anion and cation. This study …

Advances in QSPR/QSTR models of ionic liquids for the design of greener solvents of the future

RN Das, K Roy - Molecular diversity, 2013 - Springer
In order to protect the life of all creatures living in the environment, the toxicity arising from
various hazardous chemicals must be controlled. This imposes a serious responsibility on …