Computer-aided molecular design of ionic liquids as advanced process media: a review from fundamentals to applications
The unique physicochemical properties, flexible structural tunability, and giant chemical
space of ionic liquids (ILs) provide them a great opportunity to match different target …
space of ionic liquids (ILs) provide them a great opportunity to match different target …
Ionic liquids for the removal of sulfur and nitrogen compounds in fuels: a review
NE Paucar, P Kiggins, B Blad, K De Jesus… - Environmental …, 2021 - Springer
Air pollution is partly due to the emission of toxic sulfur and nitrogen oxides during fuel
combustion. Therefore, these compounds should be removed from fuels. For that, ionic …
combustion. Therefore, these compounds should be removed from fuels. For that, ionic …
Prediction of CO2 solubility in ionic liquids using machine learning methods
A comprehensive database containing 10,116 CO 2 solubility data measured in various
ionic liquids (ILs) at different temperatures and pressures is established. Based on this …
ionic liquids (ILs) at different temperatures and pressures is established. Based on this …
Thermodynamic modeling and rational design of ionic liquids for pre-combustion carbon capture
T Zhou, H Shi, X Ding, Y Zhou - Chemical Engineering Science, 2021 - Elsevier
Although ionic liquids (ILs) have been widely explored as promising solvents for carbon
capture, systematic study on the rational selection and design of ILs for carbon capture …
capture, systematic study on the rational selection and design of ILs for carbon capture …
Optimal Design of Aqueous Two-Phase Systems for Biomolecule Partitioning
Aqueous two-phase systems (ATPS) have exhibited superior performance in many
biotechnological applications. To promote the implementation of these powerful platforms by …
biotechnological applications. To promote the implementation of these powerful platforms by …
Reducing diesel exhaust emissions by optimisation of alcohol oxygenates blend with diesel/biodiesel
Biodiesel is substantially found to reduce carbon dioxides, hazardous particulate matter but
increasing anthropogenic nitrogen oxides (NO x) emissions. Fuel blending with alcohol …
increasing anthropogenic nitrogen oxides (NO x) emissions. Fuel blending with alcohol …
Predictive modeling on the surface tension and viscosity of ionic liquid-organic solvent mixtures via machine learning
Background a comprehensive collection of reliable open-source data was compiled,
encompassing 3454 data points for surface tension and 28,548 data points for viscosity of IL …
encompassing 3454 data points for surface tension and 28,548 data points for viscosity of IL …
[HTML][HTML] Natural gas sweetening using tailored ionic liquid-methanol mixed solvent with selective removal of H2S and CO2
Natural gas is often preferred in various energy applications due to its many advantages
over conventional fossil fuels such as oil and coal. However, the removal of pollutants from …
over conventional fossil fuels such as oil and coal. However, the removal of pollutants from …
Computer-aided molecular design of solvents for chemical separation processes
Solvents are widely used in chemical industries, especially in various separation processes.
As traditional trial-and-error solvent selection is time-consuming and expensive, model …
As traditional trial-and-error solvent selection is time-consuming and expensive, model …
Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure Optimization and DFT Verification
To identify optimal ionic liquids (ILs) for CO2 capture, an efficient computer-aided IL design
(CAILD) approach is desired. The traditional CAILD methods usually combine an equation …
(CAILD) approach is desired. The traditional CAILD methods usually combine an equation …