Abstract
Ionic liquids (ILs) that have tailored structures with an array of unique functional properties can have important applications in areas such as CO2 capture and sequestration, sulfur removal from fuels, energy storage, biomass pretreatment, and chemical separations. Within a computer-aided molecular design (CAMD) framework, a characterization based method is combined with chemometric and property clustering techniques in a reverse problem formulation for the design of ionic liquid (IL) structures with specific physical properties. Infrared spectra generated from density functional theory simulation were used for capturing information on molecular architecture and calibration of latent variable property models to synthesize ILs.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
