Theory of Tethered Polymer-Solution Interfaces and Quantum Impurities

9225123 Beck托马斯L.贝克是从理论和计算化学计划资助的支持下进行以下两个领域的研究：1）计算机模拟和统计力学理论的束缚烷烃极性溶液，这是一个模型的反相液相色谱;和2）计算化学势在量子系统中的应用溶解度。 贝克将应用计算机模拟方法的组合，如定相蒙特卡罗和相干态路径积分以及统计力学理论，这些理论问题。 %吸附或化学键合到表面的聚合物形成了几个重要的技术和生物过程的基础，例如，分子电子学、聚合物涂层和模型膜。 反相液相色谱（RPLC）是一种重要的化学分离技术，它依赖于这样的接口。 贝克博士的研究将有助于在分子水平上了解这种分离技术的详细机制。 在第二组研究中，贝克将研究低温下轻元素不寻常的量子行为背后的基本理论。 这对液氦中各种原子和分子的溶解度以及金属中氢同位素的储存具有重要意义。 ***

9225123 Beck Dr. Thomas L. Beck is supported by a grant from the Theoretical and Computational Chemistry Program to perform research in the following two areas: 1) computer simulations and statistical mechanical theory of a tethered alkane-polar solution which is a model for reversed phase liquid chromatography; and 2) calculation of chemical potentials in quantum systems with applications to solubilities. Beck will apply a combination of computer simulation methodologies such as Stationary Phase Monte Carlo and Coherent State Path Integration as well as statistical mechanical theory to these theoretical problems. %%% Polymers adsorbed or chemically bonded to surfaces form the basis for several technologically and biologically important processes, e.g., molecular electronics, polymer coatings, and model membranes. Reverse Phase Liquid Chromatography (RPLC) is an important chemical separation technique which depends on such an interface. Dr. Beck's research will help to understand the detailed mechanism for this separation technique at the molecular level. In a second set of studies, Beck will examine the fundamental theory behind the unusual quantum behavior of of light elements at low temperatures. This has important implications with regard to the solubility of various atoms and molecules in liquid helium, and the storage of hydrogen isotopes in metals. ***