A novel heat integrated double extractive divided-wall column avoiding vapor recompression system in water purification from petrochemical

M Aurangzeb, S Banerjee, S Roy, R Tejasvi - Chemical Engineering and …, 2024 - Elsevier
The chemical plant produces wastewater with tetrahydrofuran (THF), methanol, and water,
which form two energy-intensive binary azeotropes. With this aim, this research introduces a …

Vapour–liquid equilibrium using quantum chemical molecular dynamics simulation and radial distribution function analysis

BC Kim, SY Jeong, CW Jin, JS Kim… - The Canadian Journal of … - Wiley Online Library
Instead of the classical molecular simulation widely implemented for estimating the vapour–
liquid equilibrium (VLE), a quantum chemical (QC) molecular dynamics simulation was …