Development of solvent design methodologies using computer-aided molecular design tools
NG Chemmangattuvalappil - Current Opinion in Chemical Engineering, 2020 - Elsevier
This paper presents an overview of the recent developments in the area of solvent design
using computer-aided molecular design (CAMD) tools. Effective CAMD approaches are …
using computer-aided molecular design (CAMD) tools. Effective CAMD approaches are …
Computer-aided molecular design of optimal sustainable solvent for liquid-liquid extraction
The selection of suitable solvents for chemical separation processes has been a challenging
task as substantial amount of time and resources are required. Computer-aided molecular …
task as substantial amount of time and resources are required. Computer-aided molecular …
Integration of safety and health aspects in a simultaneous process and molecular design framework
The aspects of safety and occupational health have been included as part of the design
criteria in many process and molecular design problems. However, the main design …
criteria in many process and molecular design problems. However, the main design …
Design of solvent mixtures for selective extraction by quantifying thermodynamic and sustainability aspects
The selection of suitable solvents for selective extraction is a challenging task due to
expensive experimental studies and heavy reliance on heuristics which introduce errors and …
expensive experimental studies and heavy reliance on heuristics which introduce errors and …