【摘要】 结合改进的基础度量理论(modified fundamental measure theory,MFMT)和一阶平均球近似理论(first-order mean-spherical approximation theory,FMSA),建立了二缔合Lennard-Jones(LJ)流体在纳米缝隙中的自由能模型.应用密度泛函理论(Density functional theory,DFT),研究了界面张力等温线及汽液平衡时的界面张力,阐明了外场强度、缔合能量和缝隙宽度对汽液界面张力的影响.更多还原

【Abstract】 The Helmholtz free energy functional for two-site associating Lennard-Jones(LJ) fluid confined in slit pores was established by combining the modified fundamental measure theory(MFMT) and first-order mean-spherical approximation theory(FMSA).The interfacial tension isotherms and the equili-brium interfacial tensions were investigated by using the density functional theory(DFT).The effects of the wall force,association energy and pore width on interfacial tensions were demonstrated.更多还原