Theory of Tethered Polymer-Solution Interfaces and Quantum Impurities

Thomas L. Beck博士获得了理论与计算化学项目的资助，在以下两个领域进行研究：1)系链烷烃极性溶液的计算机模拟和统计力学理论，这是一种反相液相色谱模型；(2)量子体系化学势的计算及其在溶解度中的应用。Beck将应用计算机模拟方法的组合，如固定相位蒙特卡罗和相干状态路径积分以及统计力学理论来解决这些理论问题。聚合物吸附或化学键合到表面形成了几个技术和生物学重要过程的基础，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，依赖于这样一个界面。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量子行为背后的基本理论。这对各种原子和分子在液氦中的溶解度以及氢同位素在金属中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. ***