Molecular Dynamics Studies of Molecular Liquids (Supercomputer Grant)

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This project involves the study of the solubility of gases such as nitrogen, methane, and ethane in water and is related to a DOE-supported study using mixtures of aromatic hydrocarbons. This supercomputer project permits use of the Cornell PSF for medeling of these systems at pressures up to 15,000 psi. Computer simulation is being used in this award of service units to permit the search for better understanding of the project experimental data in terms of the underlying intermolecular forces.