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 …
[HTML][HTML] Computer-aided solvent selection and design for efficient chemical processes
The chemical industry makes extensive use of solvents, especially for chemical reactions
and separations. When considering the large number of existing solvents and the necessity …
and separations. When considering the large number of existing solvents and the necessity …
Outlook of carbon capture technology and challenges
The greenhouse gases emissions produced by industry and power plants are the cause of
climate change. An effective approach for limiting the impact of such emissions is adopting …
climate change. An effective approach for limiting the impact of such emissions is adopting …
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 …
Computer‐aided design of ionic liquids as solvents for extractive desulfurization
Although ionic liquids (ILs) have been widely explored as solvents for extractive
desulfurization (EDS) of fuel oils, systematic studying of the optimal design of ILs for this …
desulfurization (EDS) of fuel oils, systematic studying of the optimal design of ILs for 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 …
[HTML][HTML] Comparative techno-economic analysis of CO2 capture processes using blended amines
X Ding, H Chen, J Li, T Zhou - Carbon Capture Science & Technology, 2023 - Elsevier
Blended amines synthesize the absorption characteristics of different amine solvents and
show a great potential in carbon capture. However, a comprehensive techno-economic …
show a great potential in carbon capture. However, a comprehensive techno-economic …
Multi-scale Computer-aided molecular design of Ionic liquid for absorption heat transformer based on Machine learning
Absorption cycles have attracted considerable attention for utilizing renewable energy and
waste heat to achieve carbon neutrality. Absorption Heat Transformers (AHTs) using Ionic …
waste heat to achieve carbon neutrality. Absorption Heat Transformers (AHTs) using Ionic …
Integrated ionic liquid and rate‐based absorption process design for gas separation: Global optimization using hybrid models
A new method for integrated ionic liquid (IL) and absorption process design is proposed
where a rigorous rate‐based process model is used to incorporate absorption …
where a rigorous rate‐based process model is used to incorporate absorption …
Interfacial Properties of Deep Eutectic Solvents Regarding to CO2 Capture
The interfacial properties of deep eutectic solvents based on choline cloride plus urea,
glycerol, or malonic acid in contact with gas phases composed by pure CO2, pure SO2, and …
glycerol, or malonic acid in contact with gas phases composed by pure CO2, pure SO2, and …