Entry Date:
March 12, 2009

Chemical Engineering Research: Thermodynamics and Molecular Computations


Thermodynamics governs processes as diverse as chemical production, bioreaction, creation of advanced materials, protein separation, and environmental treatment. Equilibrium, reversibility, energy, and entropy are basic to the analysis and design of these processes. The extension of classical thermodynamics to molecular scales by the use of statistical mechanics has made molecular simulation an increasingly valuable tool for the chemical engineer.