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Modelling of Interfacial Tension and Adsorption of Inhomogeneous Systems with Classical Density Functional Theory

机译:经典密度函数理论建模界面张力和非均匀系统吸附

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Classical Density Functional Theory (DFT) has shown to be a consistent framework for the study of surface thermodynamics, being used for the calculation of interfacial tensions and adsorption, to the calculation of properties of colloidal systems and self-assembly [1,2]. Classical DFT finds the local density profile of an inhomogeneous fluid system in the presence of fluid-fluid interfaces or fluid-solid surfaces, that later can be used for the calculation of interfacial tensions between fluid phases, or adsorption of fluids on the walls of an adsorbent.
机译:经典密度泛函理论(DFT)已显示用于研究表面热力学研究的一致框架,用于计算界面张力和吸附,以计算胶体系统的性能和自组装[1,2]。经典DFT在存在流体流体界面或流体 - 固体表面存在下发现不均匀流体系统的局部密度曲线,后来可用于计算流体阶段之间的界面紧张,或者在墙壁上吸附流体的吸附吸附剂。

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