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

9301342 Steele美国-阿根廷合作科学奖将支持威廉 宾夕法尼亚州立大学的斯蒂尔和 阿根廷拉普拉塔的财政理论和应用调查， 阿根廷圣路易斯大学的Giorgio Zgrablich说。 该项目旨在 研究非均匀表面上物理吸附。 计算机模拟提供了详细的信息，便于测试和 改进复杂系统的理论研究，如吸附和 相互作用的分子在异质衬底上的扩散。 本工程 研究人员将选择理论和模拟项目，将产生结果 相互关联并进行实验。 理论研究的模型将明确 与模拟中使用的模型相关;相反，模拟中使用的模型将 与理论相关。 这个美国组织将对这一过程进行计算机模拟。 简单气体吸附在 真实模型异质固体。 阿根廷队将发展理论和 相关系统的实验治疗。 双方都将受益于这一机会 对两组结果进行定量比较。 ***

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. ***