A Modified Poisson-Boltzmann Study of Cylindrical Polyelectrolyte and Spherical Colloidal Solutions

布扬教授得到了理论和计算化学项目的资助，以开发更好的理论来了解聚电解质和胶体溶液的结构和热力学。这些理论对于理解大分子体系的性质很重要，包括解释DNA结构的实验数据。布扬教授将应用电双层统计力学的方法，特别是修正的泊松-玻尔兹曼(MPB)理论，对圆柱形聚电解质和球形胶体溶液的结构和热力学性质进行了研究，其目的如下：1)将最近导出的圆柱形聚电解质的MPB理论推广到球形胶粒周围的离子云分布；2)研究圆柱形聚电解质和球形胶体溶液中加盐和不加盐的电池模型；3)比较MPB理论与经典Poisson-Boltzmann理论、液体结构积分方程计算和计算机模拟的结果；4)根据所获得的结果，考虑进一步发展MPB方法。

Professor Bhuiyan is supported by a grant from The Theoretical and Computational Chemistry Program to develop improved theories for understanding the structure and thermodynamics of polyelectrolyte and colloidal solutions. Such theories are important in understanding the properties of macromolecular systems including the interpretation of experimental data on DNA structures. Professor Bhuiyan will apply the methods of statistical mechanics of electric double layers, in particular the Modified Poisson-Boltzmann (MPB) theory, to a study of the structural and thermodynamic properties of cylindrical polyelectrolyte and spherical colloidal solutions with the following objectives: 1) to extend the recently derived MPB theory for cylindrical polyelectrolytes to ionic cloud distributions surrounding a spherical colloidal particle; 2) to study cell models for the cylindrical polyelectrolyte and spherical colloidal solutions with and without added salt; 3) to compare the results of the MPB theory with classical Poisson-Boltzmann theory, liquid structure integral equation calculations and computer simulations; and 4) to consider further development of the MPB approach to these systems in light of the results obtained.