| 折半搜索法预测二元混合物的共沸点 |
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| 引用本文： | 吴晓艺,王静文. 折半搜索法预测二元混合物的共沸点[J]. 计算机与应用化学, 2011, 28(4) |
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| 作者姓名： | 吴晓艺 王静文 |
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| 作者单位： | 沈阳工业大学理学院,辽宁,沈阳,110870 |
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| 摘 要： | 在化工分离过程设计中,共沸点预测的作用十分重要,目前常用的方法有牛顿迭代和牛顿同伦等,都需要求解大型非线性方程组,且牛顿迭代法易发散,本文提出修正UNIFAC模型的逐次代入法同时与折半搜索联合的算法,既克服牛顿迭代计算时因取初值不合适时而容易发散的缺点,又不需要求解大型非线性方程组,且计算速度快,计算中对逐次代入法进行改进,使温度初值的取法更简捷,且无发散现象,通过验证乙醇-苯等10多种二元混合物,计算过程均可在1 MS以内完成,计算所得共沸点与文献所载实验值比较,平均误差＜1%,共沸点组成与文献所载实验值比较,平均误差＜2%,证明该法不但可用于二元混合物共沸点预测,又可在相应大型数据库中查找可产生共沸效果的混合物.
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| 关 键 词： | 共沸点 逐次代入法 折半查找 二元混合物 |
Binary search method for predicting azeotropic temperature of binary mixture |
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| Wu Xiaoyi,Wang Jingwen. Binary search method for predicting azeotropic temperature of binary mixture[J]. Computers and Applied Chemistry, 2011, 28(4) |
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| Authors: | Wu Xiaoyi Wang Jingwen |
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| Affiliation: | Wu Xiaoyi and Wang Jingwen (Department of Pure Science Technology,Shenyang University of Technology,Shenyang,110870,Liaoning,China) |
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| Abstract: | To predict Azeotropic temperature is very useful in separating operation.The methods to predict Azeotropic temperature usually are Newton iteration and homotopy-Newton hybrid method.These two methods need to solve the system of nonlinear equations.This article provides a method of predicting azeotropic temperature.This method is a complex method union with successive substitution method and binary search based on modified model of UNIFAC.This method not only overcome the defect of divergence of Newton itera... |
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| Keywords: | Azeotropic temperature successive substitution method binary search binary mixture |
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