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

摘要CTS-9502565 Kevin豪厄尔德克萨斯农工大学 将使用新的液态理论，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。 积分方程的方法，如棱镜理论，将被开发来了解链构象和解决方案中的相行为之间的相互作用。 计算机模拟将采用吉布斯系综方法来研究对称的二元共混物和聚合物溶液中的渗透平衡。 SANS实验将探测聚烯烃的相行为作为分子量、结构和组成的函数。 该研究可能有助于改善再生塑料的加工和先进聚合物材料的开发。 教育计划包括修订热力学课程和在本科阶段引入实验设计课程。 新的研究生课程将在统计力学和聚合物物理学。

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.