PSCOF制备的数值模拟及问题探讨  

Simulation and Exploration of Phase Separation Process in Producing PSCOF

作　　者：胡挺[1] 刘文娟[1] 沈一帆[1] 王昕[2] 陆章基[1] 

机构地区：[1]复旦大学力学与工程科学系,上海200433 [2]复旦大学光科学与工程系,上海200433

出　　处：《复旦学报（自然科学版）》2004年第3期411-417,共7页Journal of Fudan University：Natural Science

基　　金：国家自然科学基金资助项目 (1 0 372 0 2 3;1 0 1 72 0 92 ) ;上海 应用材料研究与发展基金项目合同 (0 1 0 6 )

摘　　要：相分离复合膜PSCOF(PhaseSeparatedCompositeFilms)是由液晶和单体共混物经相分离后形成的分层光电材料 .采用考虑聚合反应的一维扩散模型 ,对制备中的相分离过程作数值模拟 .由于面临的是带有单组分守恒约束条件的非线性方程系统 ,因此提出一种改进的差分格式和边界处理办法 ,能保证数值模拟的收敛 ,由此给出液晶与聚合物的时间演化图 ,与实验结果定性一致 ;模拟结果表明制备时间随R(反映光照强度或反应速率的材料系数 )改变呈现幂函数规律 ,其幂指数范围在 0 .75～ 0 .8之间 :在研究制备时间随组分配比0 ψ0 的变化规律时 ,发现液晶的光吸收率L对其影响甚大 ,例如L =0 .0 5时 ,有峰值出现 ;L =0 .1时 。Phase Separated Composite Fims(PSCOF) are two-layer photoelectric materials, which are produced through phase-separation process of a mixture of Liquid Crystal(LC) and monomer. A one-dimensional model considering polymeric reaction is used to simulate the phase-separation process.Due to nonlinear characteristics of the equation system and the conservation of one component, an improved difference scheme and a special boundary condition are introduced to assure the convergence of the numerical simulation. Thus the evolution of LC/polymer ratio in the mixture is presented. This coincides with the result of experiment. The dependence of the producing time on R is studied, where R reflects the intension of the illumination and the rate of the polymerization. There is the power-function law in the two quantities with the power exponent between 0.75 and 0.8. The dependence of the producing time on the initial ratio of mixture(_0/ψ_0) is also obtained. The above dependence is very complex and sensitive to L (the relative absorption length of light in LC). For example, as L=0.05, there is a peak value. However, as L=0.1, it decreases monotonously.

关 键 词：数值模拟 PSCOF 相分离复合膜 夏应扩散模型 差分格式 边界条件 液晶光电材料 

分 类 号：TN104.3[电子电信—物理电子学] O484[理学—固体物理]