Advanced Theory and Simulation to Guide the Development of CO<sub>2</sub> Capture Solvents
Loukas Kollias, Difan Zhang, Sarah I. Allec, Manh‐Thuong Nguyen, Mal‐Soon Lee, David C. Cantu, Roger Rousseau, Vassiliki‐Alexandra Glezakou
Abstract
, which need to be tuned at the molecular level. The resulting picture is that solvent development requires an integrated approach where theory and simulation can provide the necessary ingredients to balance competing factors.
Topics & Concepts
SolventGreenhouse gasChemistryEconomies of agglomerationCarbon dioxideThermodynamicsBiochemical engineeringProcess engineeringEnvironmental scienceOrganic chemistryChemical engineeringPhysicsEcologyBiologyEngineeringCarbon Dioxide Capture TechnologiesMembrane Separation and Gas TransportCO2 Reduction Techniques and Catalysts