Thermodynamic mechanism of complex fluid–solid interfacial interaction
(2.Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science & Technology, Nanjing, Jiangsu, China 210094)
(3.Energy Engineering, Division of Energy Science, Luleå University of Technology, Luleå, Sweden)
【Abstract】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 the realization of 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 interfacial interaction is established. When the molecular thermodynamic modeling method is extended to the nano/micro-interfacial transfer, the coordination of advanced experiments at nano/micro-scale and molecular thermodynamic modeling is needed. Atomic force microscopy (AFM), which possesses 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 interactions. Then, the coarse-grained molecular model can reveal the molecular thermodynamic mechanism of nano- and micro-interface transfer, realizing quantitative prediction.
【Keywords】 thermodynamics; complex fluids; model; interface; molecular simulation; AFM;
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