U.S.-France Cooperative Research: Molecular Modeling of Disordered Porous Materials

[00:89696 . 96]格宾斯这项为期三年的美法合作研究奖的获得者是北卡罗来纳州立大学的基思·e·格宾斯和罗兰·j·m·格宾斯。他是法国奥尔良Matiere分部研究中心的教授，主要研究无序多孔材料，特别是玻璃和碳。这些材料广泛应用于化工、石油、天然气和制药行业，作为色谱的吸附剂、催化剂和催化剂载体。该合作解决了现实原子模型的发展，以更好地表征多孔材料，并研究相变和吸附。研究人员将使用分子模拟技术结合实验研究这些材料的结构。这位美国研究者为此次合作带来了将分子模拟方法应用于多孔固体的专业知识。这是由法国在实验结构测量和重建方法方面的专业知识补充的。该奖项代表了美国方面向美国国家科学基金会和法国国家科学研究中心（CNRS）提出的联合提案。美国国家科学基金会将支付美国研究员、博士后研究员和研究生的旅费和生活费。法国科学研究中心将支持法国研究人员访问美国。该合作将促进对无序材料吸附的理解。

0089696GubbinsThis three-year award for U.S.-France cooperative research involves Keith E. Gubbins of North Carolina State University and Roland J.-M. Pellenq of the Centre de Recherche sur la Matiere Divisee in Orleans, France for studies of disordered porous materials, in particular, glasses and carbons. These materials are widely used in the chemical, oil and gas and pharmaceutical industries as adsorbents for chromatography and as catalysts and catalyst supports. The collaboration addresses the development of realistic atomistic models to better characterize porous materials and to study phase changes and adsorption. The investigators will use molecular simulation techniques combined with experimental studies of the structure of these materials. The US investigator brings to this collaboration expertise in applying molecular simulation methods to porous solids. This is complemented by French expertise in experimental structure measurements and reconstruction methods. This award represents the US side of a joint proposal to the NSF and the French National Center for Scientific Research (CNRS). NSF will cover travel funds and living expenses for the US investigator, postdoctoral researcher and graduate student. The CNRS will support the visits of French researchers to the United States. The collaboration will advance understanding of adsorption in disordered materials.