A Molecular Dynamic Simulation Of Ordered Liquid Film On The Solid Substrate

The dissertation discusses the structure and transport property of ordered liquid film in vicinity of solid plate, which attracted wide attention and interest of researchers. Molecular dynamic simulation is used to make the systematic investigation on the ordered liquid film's micro-structure, property and thermal conductivity. The main contents of the dissertation are as follows:The modified Lorentz-Berthelot model describing the interaction of different types of particles is proposed in order to address the specific problems in simulating ordered liquid film. By introducing new parameters, the bonding strength between solid plate and liquid molecules could be conveniently adjusted.Based on lots of existing theoretical and experimental works published for the study of the interaction between solid and liquid film, it is discovered: the thermophysical properties of objects with size of nanometers strongly depend on the boundary conditions and dimensions. These findings can guide the numerical simulation research and plenty of experimental resources could verify or support the results of the study.The simulation of liquid film is firstly conducted to observe the influence of boundary condition and dimension on simulated results, then the explanation based on the techniques and simulation method applied in programs are brought forward. The molecule's array, motion style, the degree of order and thermal conductivity of ordered liquid film are compared with counterparts of crystal and liquid respectively. Furthermore, a series of simulation on ordered liquid film with different bonding strength and size are computed, because more samples can support the outcome and conclusions better.The research is further extended to the ordered liquid film confined between two solid plates with the distance of nanometers, and liquid layer cumulated on spherical nano-particle in nanofluids. The discussion focused on two-wall ordered liquid film of different sizes in all dimensions. The molecule's trace are obtained to analyze the motion style of particles in inner and outer layers of spherical ordered liquid film, and the mechanism on how they affect the transport property of the ordered liquid film. Finally the thermal conductivity is computed.