复杂流体-固体界面相互作用热力学机制

具有复杂结构的纳微界面往往是界面复杂作用和宏观实验现象的主导因素。要准确描述界面处复杂流体的行为，需要引入能描述复杂流体-固体界面相互作用的分子热力学模型。本综述围绕分子热力学模型化方法拓展至纳微界面传递问题，提出“分子热力学建模+分子模拟+纳微实验”三者有机配合新思路。并针对复杂流体-固体界面相互作用的定量研究，着重综述了作者在热力学建模，分子模拟以及采用原子力显微镜 (atomic force microscopy，AFM) 实验方面的研究进展，创新性地提出将AFM定量化分析作为桥梁，用于构建分子模拟模型，描述复杂界面作用，揭示分子热力学机制，为构建纳微界面传递模型以及分子热力学模型由体相拓展至界面提供了可能。

Thermodynamic mechanism of complex fluids-solids interfacial interaction

Interfacial transfer at mesoscale is a common issue for all the multi-phase chemical processes, and the related study remains as a scientific challenge due to the complexities. Investigating the interfacial interactions at mesoscale to find out the regulation strategies is the key to realize process-intensification of mass-transfer and reaction for the advanced chemical industries. To accurately describe the behavior of fluids at the interface, a new molecular thermodynamic model that can describe the complex fluid-solid interface interaction. When the molecular thermodynamic modeling method is extended to the nano-micro interfacial transfer needs to be developed, calling for the coordination of advanced experiments at nano-micro scale and molecular with molocular thermodynamic modelling. Atomic force microscopy (AFM), which possess the sensitivity down to nanoscale, can directly obtain the interfacial interaction at nano-micro scale. The quantification of AFM-measured forces can be used to construct the coarse-grained molecular model and describe complex interfacial interaction. Then, the coarse-grained molecular model can reveal the molecular thermodynamic mechanism of nano- and micro- interface transfer, realizing quantitative prediction.