U.S.-Venezuela Cooperative Research: Modeling Adsorption and Dynamics of Water and Aqueous Solutions on Activated Carbons

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9602960 Gubbins This Americas Program award will support a collaborative research project between Dr. Keith E. Gubbins, Cornell University and Dr. Erich Mueller, Universidad Simon Bolivar, Caracas, Venezuela. They will study the equilibrium and dynamic behavior of water and aqueous solutions when confined within the narrow pores of activated carbons. The objectives of the work are to determine the effects of confinement on the adsorption behavior of pure water, water/hydrocarbon and water/carboxilyc acid mixtures, and investigate the dynamic behavior and diffusion rates in the pores. Methods to be used will include Grand Canonical Monte Carlo and equilibrium and nonequilibrium Molecular Dynamics simulation. Comparisons of results from both methods will clarify the poorly understood confinement effects in these systems. A general aim of this research is to suggest new and optimal designs for adsorbents and adsorption processes for use in the oil and petrochemical industry, and for the removal of pollutants from air and water streams. ***