COMBINING FREE ENERGY CALCULATIONS WITH MACHINE LEARNING PREDICTIONS OF ADSORPTION TO DESIGN METAL-ORGANIC FRAMEWORKS FOR CHEMICAL SEPARATIONS
The separation of chemical mixtures into their sufficiently pure components is a necessary step in essentially all industrial chemical processes. Presently, the predominant method for industrial chemical separation is distillation, an energy-intensive process. Therefore, the development of less energy-intensive separation technologies can reduce industrial energy usage by a consequential margin. The development of these technologies hinges on the discovery and design of materials (i.e. separation agents) that can selectively interact with mixture components on the molecular level. Metal-organic ...
(For more, see "View full record.")