(385c) The Role of Molecular Thermodynamics in Process Modeling

Molecular thermodynamics is the scientific foundation for process modeling and simulation, a universal engineering technology used in support of chemical product research and development, process development, design and debottlenecking, and process optimization and control. As chemical engineers strive to address critical societal challenges such as sustainable energy, global warming, and the aging population, molecular thermodynamics and process modeling technology must advance. This presentation reviews major developments in molecular thermodynamics and process modeling technology over the past thirty years. In addition, we showcase several recent high-impact advances in molecular thermodynamics relevant to the environment, energy, and medicine: 1) thermodynamic modeling of hydraulic fracturing fluids and produced water, 2) molecular characterization of crude oils, and 3) predictive solubility modeling of drug molecules.