This group works with accurate measurements, description, and estimation of the thermodynamic properties of materials with emphasis on the fluid state. These properties significantly affect the design of any chemical process and the exploitation of petroleum and natural gas reservoirs. The most recent work has emphasized properties of natural gas mixtures and alternative refrigerant materials. The development of new apparatus is a significant part of the experimental program. The group has invented several measurement techniques.
Equations of state provide the avenue for description and estimation of properties.
Current work includes both the development of new equations and new computational techniques for obtaining equilibrium properties. Molecular-level simulation is used to gain insight into the adsorption and transport of small penetrants in nanoporous materials such as zeolites, carbon molecular sieves, and polymers with the ultimate goal of rational design of materials for gas separation. Another major area of interest is the adsorption behavior of volatile organic compounds and water on soil surfaces which complements experimental work being done in the department. In each case, new simulation techniques and theoretical approaches allow us to make a better connection between molecular-level time and length scales and those familiar to the process engineer. Parallel computation is used to further enhance these capabilities.