U.S.-Argentina: Theoretical and Computer Studies of Physical Adsorption on Heterogeneous Surfaces

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9301342 Steele This U.S.-Argentina Cooperative Science award will support the collaboration of William Steele of Pennsylvania State University and Eduardo Bottani of the Instituto de Investigaciones Fisicoquimicas Theoricas y Aplicadas in La Plata, Argentina, and Giorgio Zgrablich of the University of San Luis in Argentina. The project aims to investigate physical adsorption on heterogeneous surfaces. Computer simulations provide detailed information which facilitates the testing and improvement of theoretical studies of complex systems, such as the adsorption and diffusion of interacting molecules on heterogeneous substrates. In this project, the researchers will select both theoretical and simulation projects that will yield results relevant to each other and to experiment. Models for theoretical study will be clearly related to those used in simulations; conversely, models used in simulations will be relevant to theory. The U.S. group will conduct computer simulations of the thermodynamic, structural, and dynamical properties of simple gases adsorbed on realistic model heterogeneous solids. The Argentine group will develop theoretical and experimental treatments for related systems. Both sides will benefit from the opportunity to make quantitative comparisons between the two sets of results. ***