Computer-Aided Molecular Design of Ionic Liquids as Advanced Process Media: A Review from Fundamentals to Applications
Z Song, J Chen, J Cheng, G Chen, Z Qi - Chemical Reviews, 2023 - ACS Publications
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 …
Computer-aided molecular design of ionic liquids: an overview
DC Weis, DR MacFarlane - Australian Journal of Chemistry, 2012 - CSIRO Publishing
Computer-aided molecular design (CAMD) is a technique that helps select potential target
molecules that will have desired properties before synthesis and testing in the laboratory …
molecules that will have desired properties before synthesis and testing in the laboratory …
Computer‐aided design of tailor‐made ionic liquids
AT Karunanithi, A Mehrkesh - AIChE Journal, 2013 - Wiley Online Library
Ionic liquids (IL), with their negligible vapor pressure, have the potential to replace volatile
organic solvents in several processes. They also exhibit other unique characteristics, such …
organic solvents in several processes. They also exhibit other unique characteristics, such …
Challenges and opportunities in computer-aided molecular design
LY Ng, FK Chong… - Computers & Chemical …, 2015 - Elsevier
In this paper, the significant development, current challenges and future opportunities in the
field of chemical product design using computer-aided molecular design (CAMD) tools are …
field of chemical product design using computer-aided molecular design (CAMD) tools are …
Design of ionic liquids via computational molecular design
SE McLeese, JC Eslick, NJ Hoffmann, AM Scurto… - Computers & chemical …, 2010 - Elsevier
Computational molecular design (CMD) is a methodology which applies optimization
techniques to develop novel lead compounds for a variety of applications. In this work, a …
techniques to develop novel lead compounds for a variety of applications. In this work, a …
Multivariate characterization, modeling, and design of ionic liquid molecules
S Hada, RH Herring III, SE Davis, MR Eden - Computers & Chemical …, 2015 - Elsevier
Ionic liquids that have tailored structures with an array of unique functional properties can
have important applications in areas such as CO 2 capture and sequestration, sulfur …
have important applications in areas such as CO 2 capture and sequestration, sulfur …
Toward the proactive design of sustainable chemicals: Ionic liquids as a prime example
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 …
into a broad variety of seminal technologies. The modular design of ILs allows in this context …
A systematic approach to design task-specific ionic liquids and their optimal operating conditions
Carbon capture and storage (CCS) has gained great interest in recent years as a potential
technology to mitigate industrial carbon dioxide (CO2) emissions. Ionic liquids (ILs) were …
technology to mitigate industrial carbon dioxide (CO2) emissions. Ionic liquids (ILs) were …
Structural features of ionic liquids: consequences for material preparation and organic reactivity
CC Weber, AF Masters, T Maschmeyer - Green chemistry, 2013 - pubs.rsc.org
Ionic liquids have been proposed as functional replacements for harmful and hazardous
volatile organic solvents. However, limiting their use in this way does not fully explore the …
volatile organic solvents. However, limiting their use in this way does not fully explore the …
Ionic liquids and relative process design
Ionic liquids have gained increasing attention in recent years due to their significant
advantages, not only as alternative solvents but also as new materials and catalysts. Until …
advantages, not only as alternative solvents but also as new materials and catalysts. Until …
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