化工学报Issue(2)：435-441,7.DOI:10.11949/j.issn.0438-1157.20151235
基于新UNIFAC基团的尼龙66盐溶解度的计算方法
Thermodynamic modeling with new UNIFAC groups for solubility of nylon66-salt in water system
顾雪萍 1田璐璐 1冯连芳 1张才亮1
作者信息
- 1. 浙江大学化学工程联合国家重点实验室，浙江 杭州 310027
- 折叠
摘要
Abstract
Modeling of PA66 polymerization process requires accurate solubility computation of nylon66-salt in water system. The UNIFAC activity coefficient method with new groups was applied to predict the solubility. The new groups were —CH2COO−·+H3NCH2— and —CH2COOH, which characterized the component’s special structure. The pure parameters of new UNIFAC groups and interaction parameters between new groups were obtained by regression with melting point and molar fusion enthalpy of PA66-salt as well as the solubility data of PA66-salt in water obtained by experiments. The UNIFAC model with new groups was used to simulate the solubility of PA66-salt in aqueous solution, giving a relative error of 2.1%from the experimental data. The model was further employed to simulate the concentration of PA66-salt under the industrial conditions (120℃) and gave a relative error as low as 5%, compared with 20%from the UNIFAC model with default groups in Aspen.关键词
尼龙66盐/水溶液/溶解度/UNIFAC模型/UNIFAC基团Key words
nylon66-salt/aqueous solution/solubility/UNIFAC model/UNIFAC groups分类
化学化工引用本文复制引用
顾雪萍,田璐璐,冯连芳,张才亮..基于新UNIFAC基团的尼龙66盐溶解度的计算方法[J].化工学报,2016,(2):435-441,7.
