摘要
基于Flory-Huggins理论,考虑组分间的二元相互作用参数而忽略三元相互作用参数的影响,推导了水/N-甲基吡咯啉酮/聚砜铸膜体系的热力学模型。采用Lagrange 乘子法将该模型转化为无约束非线性优化问题,通过单纯形法对该类无约束非线性优化问题进行了求解。计算并得到了水/N-甲基吡咯啉酮/聚砜体系在常压及23℃下的连结线和双结点曲线。结果表明,联合Lagrange 乘子法和单纯形算法能较好地用于聚合物铸膜体系的热力学模型研究,及对有约束非线性优化问题的求解,本文的研究结果为该类体系相平衡研究以及有关非对称膜制备的理论研究提供了基础依据。
The phase equilibrium thermodynamic model of water(H_2o)/N-methy1-2-pyrrolidone(NMP)/polysulfone(PSf)systemwas established using Flory-Huggins theory,considering the binary interaction parameters and neglecting the ternary interaction parame-ters.The model was converted to a nonlinear optimization problem with the Lagrange multiplier method,and was solved to obtain thetielines and the binodal curve under thecondition of 1 atm and 23℃ using the simplex method.The results show that the Lagrange mul-tiplier method combined with simplex method provides an effective way to solve the phase equilibrium model of water/solvent/polymersystem,and also it is proved that the combination algorithm is suitable for solving a nonlinear constrain optimization problem.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2004年第3期459-463,共5页
Computers and Applied Chemistry
基金
河南省高校杰出科研人才创新工程资助项目(2001KYCX006)
