Research Initiation Award: Molecular Engineering of Thin Films - A Theoretical Approach

拟议的工作集中在诸如体积浓度、颗粒形状和硬度等因素如何，而多分散性控制通过吸附溶液中的大颗粒而产生的薄膜的结构。虽然主要的推动力是蛋白质和乳胶球，但结果应该具有更广泛的适用性。许多蛋白质的吸附基本上是不可逆的，即不存在解吸或表面扩散。这种情况需要使用随机顺序吸附(RSA)过程。建议使用计算机模拟来计算几个定义良好的模型的吸附速率、饱和覆盖率和膜的结构。这一研究结果将有助于设计制备具有某些所需性能的薄膜的工艺。

The proposed work focusses upon how factors such as bulk concentration, particle shape and rigidity, and polydispersity control the structure of thin films that are produced by the adsorption of large particles from solution. Although the primary thrust is on proteins and latex spheres, the results should be of more general applicability. The adsorption of many proteins is essentially irreversible, i.e. there is not desorption or surface diffusion. The situation is needed using the Random Sequential Adsorption (RSA) process. It is proposed to calculate the rate of adsorption, saturation coverage, and the structure of the film for several well defined models using computer simulation. The results of this study will assist in the design of processes to manufacture thin films with certain desired properties.