Dynamic density functional theory based on equation of state
作者： Hui Xu , Liu Honglai , Hu Ying
DOI: 10.1016/J.CES.2007.02.055
关键词: Mathematics 、 Chain (algebraic topology) 、 Geometry 、 Copolymer 、 Statistical physics 、 Nonlinear system 、 Equation of state 、 Functional theory 、 Dynamic density 、 External field
摘要: Dynamic density functional theory based on equation of state (EOS-based DDFT) for the calculation microphase separation block copolymer is presented. The free-energy derived from bonding potential and an chain fluid; latter can accurately describe thermodynamic properties real substances. Contrast to traditional DDFT, highlight aspect this method that hypothetical external field not used; additional iterations self-consistent nonlinear equations are therefore avoided. Although form a little complicated, computing time notably reduced. applications diblock melts blends homopolymer presented as illustrations.
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