Research Initiative


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Copyright © 2002

People - Jeffery B. Klauda

Jeffery B. Klauda
University of Delaware
Department of Chemical Engineering
Newark, DE 19716
Colburn Lab 119
Phone: (302) 831-6857 | Email:

  • Middleburgh Central School: Valedictorian, 1994
    (Middleburgh, NY)
  • Rensselaer Polytechnic Institute: Magna Cum Laude
    B.S. Degrees in Chemical Engineering and Mathematics, 1998
    (Troy, NY)

Research Interests
The absorption of gas molecules in confined media, e.g., nanoporous carbons, has been limited to experimental observation. Past work on gas hydrates (see papers below) has given us insight in how to extend this research to penetrants in nanoporous carbons. In gas hydrates, molecules in the vapor phase absorb in cavities formed by water molecules in a continuous crystal lattice. The amount of gas absorption can be described by the Langmuir absorption isotherm, which with the aid of ab initio quantum chemistry we can predict the amount of gas absorbed in the individual types of cavities.

This method is being extended to carbon schwartzites with ordered crystal structures by treating the channels and their intersections as individual sites for gas absorption. Quantum chemical methods that include electron correlation are required to describe the interaction energies between the penetrant and the carbon structure (required for the Langmuir absorption isotherm) because these are weakly bound gases. This can be achieved by focusing on these individual sites rather than the entire crystal lattice as we have done in gas hydrates.

Klauda, J.B; Sandler, S.I. A Fugacity Model for Gas Hydrate Phase Equilibria. Ind. Eng. Chem. Res. 2000, 39(9), 3377.
Klauda, J.B; Sandler, S.I. Modeling Gas Hydrate Phase Equilibria in Laboratory and Natural Porous Media. Ind. Eng. Chem. Res. Accepted 2001.
Klauda, J.B; Sandler, S.I. Predictions of Gas Hydrate Phase Equilibria in Natural Sediment Porous Media. J. Geophys. Res.-Solid Earth Submitted 2001.
Klauda, J.B.; Sandler, S.I. Predictions of Gas Hydrate Phase Equilibria in Laboratory and Natural Sediment Porous Media. 2001 AIChE Annual Meeting. Reno, NV.