CAREER: Molecular Thermodynamics of Polymer Blends and Solutions: A Research and Teaching Program for Early Career Development

摘要CTS-9502565将利用新的液态理论、计算机模拟和小角中子散射(SANS)研究聚合物共混物和溶液的分子热力学。将发展积分方程式方法，如棱镜理论，以了解链构象和溶液中的相行为之间的相互作用。计算机模拟将使用Gibbs系综方法来研究对称的二元混合物和聚合物溶液中的渗透平衡。SANS实验将探索聚烯烃的相行为作为相对分子质量、结构和组成的函数。这项研究可能有助于改进回收塑料的加工和开发先进的聚合物材料。该教育计划包括修改热力学课程，并在本科阶段引入一门实验设计课程。将开设统计力学和聚合物物理方面的新研究生课程。

ABSTRACT CTS-9502565 Kevin Howell Texas A&M University The molecular thermodynamics of polymer blends and solutions will be investigated using new liquid state theories, computer simulations and small-angle neutron scattering (SANS). Integral-equation methods, such as PRISM theory, will be developed to understand the interplay between chain conformations and phase behavior in solutions. The computer simulations will employ the Gibbs ensemble approach to study symmetric binary blends and osmotic equilibrium in polymeric solutions. SANS experiments will probe the phase behavior of polyolefins as a function of molecular weight, architecture and composition. The research may contribute to improved processing of recycled plastics and development of advanced polymeric materials. The educational plan includes revision of thermodynamics course and introduction of a course in experimental design at the undergraduate level. New graduate courses will be developed in statistical mechanics and polymer physics.