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

这项美国-阿根廷合作科学奖将支持宾夕法尼亚州立大学的William Steele、阿根廷拉普拉塔经济理论与应用研究所的Eduardo Bottani和阿根廷圣路易斯大学的Giorgio Zgrablich的合作。该项目旨在研究非均质表面的物理吸附。计算机模拟提供了详细的信息，有助于测试和改进复杂系统的理论研究，如相互作用的分子在异质底物上的吸附和扩散。在这个项目中，研究人员将选择理论和模拟项目，这些项目将产生相互相关和实验的结果。理论研究的模型将与模拟中使用的模型明显相关；相反，在模拟中使用的模型将与理论相关。美国小组将对简单气体吸附在现实模型非均质固体上的热力学、结构和动力学特性进行计算机模拟。阿根廷研究小组将为相关系统开发理论和实验治疗方法。双方都将从对两组结果进行定量比较的机会中受益。＊＊＊

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. ***