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Molecular Dynamics Simulation On Licl-H2o Interfacial Phenomenon For Liquid Desiccant Dehumidification, Xiaohui She, Yi Chen, Yuanhao Wang, Shifeng Wang, Yimo Luo
Molecular Dynamics Simulation On Licl-H2o Interfacial Phenomenon For Liquid Desiccant Dehumidification, Xiaohui She, Yi Chen, Yuanhao Wang, Shifeng Wang, Yimo Luo
Faculty of Science & Technology (THEi)
In this paper, molecular dynamics simulation was conducted to analyze the air-solution interface phenomenon of LiCl-H2O for liquid desiccant air dehumidification. Density profiles of ions in liquid desiccant aqueous solutions were plotted along the z axis, and distribution preferences of ions on the air-solution interface were studied. Besides, vapor pressure profiles above the solution surface were plotted, and the saturated vapor pressure was predicted and compared with the empirical data. It was found that water density remained stable in the bulk, and there was a sharp decrease on the air-solution interface. For the ions (Li+ and Cl-), a density peak …