Modeling of morphology and rheology of complex fluids

高性能材料，纳米技术和生物和生物医学应用的发展需要微观（纳米级）形态和整体（宏观）热力学，流动和机械性能之间的关系的知识。这个项目的目标是通过开发一个原始的多尺度建模来提供这样的知识。我在1984年为这种类型的建模引入了一个通用框架。我还组织了第一次非平衡热力学国际研讨会，讨论了该框架（IWNET 1996年在蒙特利尔）。第五届IWNET将于明年在墨西哥举行。 被称为热力学（GENERIC）框架的框架，现在被广泛用于模拟复杂流体（如纳米颗粒悬浮液，不混溶共混物，膜悬浮液等）的流变学和热力学性质。新方法的新奇（也是力量）在于在守恒定律的要求（为经典流体力学提供基础）之外增加了另外两个要求：（i）与热力学的兼容性，以及（ii）与力学的兼容性。 热力学框架的主要优点之一是它可以用于任何一组状态变量，特别是纳米级和宏观状态变量及其组合（然后导致多级模型）。 就拟议的项目而言，我打算继续开发该框架的基本方面和应用。特别是，我建议开发一个人类血液的流变学模型，允许从流变学测量的结果中识别病理性红细胞。此外，该项目的结果将有助于纳米技术，特别是聚合物层状硅酸盐纳米复合材料和其他纳米颗粒复合材料的加工。

The development of high performance materials, nanotechnology and biological and biomedical applications require knowledge of the relationship between microscopic (on the nanoscale) morphology and overall (macroscopic) thermodynamic, flow, and mechanical properties. The objective of this project is to provide such knowledge by developing an original multiscale modeling. I have introduced a general framework for this type of modeling in 1984. I have also organized the first International Workshop on Nonequilibrium Thermodynamics on which the framework was discussed (IWNET 1996 in Montreal). The fifth IWNET will take place next year in Mexico. The framework, known as thermodynamic (GENERIC) framework, is now widely used in modeling rheological and thermodynamic properties of complex fluids (like nanoparticle suspensions, immiscible blends, suspensions of membranes etc.). The novelty (and also the power) of the new approach lies in adding to the requirement of the conservation laws (giving the basis to classical hydrodynamics) two other requirements: (i) compatibility with thermodynamics, and (ii) compatibility with mechanics . One of the main advantages of the thermodynamic framework is that it can be used for any set of state variables, notably then for both nanoscale and macroscopic state variables and also for their combinations (which then lead to multilevel models). In terms of the proposed project I intend to continue to develop both the fundamental aspects and applications of the framework. In particular, I am proposing to develop a rheological model of human blood allowing to recognize pathological red cells from r4sults of rheological measurements. Also, results of this project will contribute to nanotechnology, in particular then to processing of polymer layered silicate nanocomposites and other nanoparticle composites.