Modeling solubility of gases in semicrystalline polyethylene
Modeling solubility of gases in semicrystalline polyethylene
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模拟气体在半结晶聚乙烯中的溶解度
DOI：
10.1002/app.24969
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发表时间：
2007-02
影响因子：
3
通讯作者：
Hu, Xiaoping
中科院分区：
文献类型：
--
作者：
Yao, Wenjuan;Yang, Yongrong;Hu, Xiaoping
基于聚合物溶液活度系数理论，建立了气体在半结晶聚合物中的吸收模型，该模型考虑了温度对结晶度的影响。用压力衰减法测定了乙烯、异戊烷和正己烷在三种聚乙烯（PE）中的溶解度，温度为333 ~ 363 K，压力分别为2 MPa、80 ~ 300 KPa和19 ~ 100 KPa。采用PE样品中3种气体的实验数据进行单参数拟合，拟合误差在12%左右。结果发现，单个参数仅取决于所用PE的性质。结果表明，与Flory-Huggins模型和unifacc - m - h方法不同，为了使烷烃、烯烃和芳烃在聚乙烯中的溶解度数据很好地拟合，特别是在聚合物熔点附近的温度范围内，必须考虑半结晶聚合物的结晶度与温度之间的相关性。实验结果表明，四种自由能对总气活度的贡献加起来约为47% ~ 60%，自由体积贡献约为12% ~ 25%，弹性效应贡献约为22% ~ 35%，但相互作用的贡献为零。这些贡献随着气体分子的大小而变化。©2006 Wiley期刊公司应用化学学报，2009,31 (2):444 - 444
An absorption model of gases in semicrystalline polymer was built that was based on the activity coefficient theory in polymer solution and associated with crystallinity dependent on temperature. The solubility of ethylene, isopentane, and n-hexane in three types of polyethylene (PE) were obtained by the use of a pressure-decay method at temperatures of 333–363 K and pressures of up to 2 MPa, 80–300 KPa, and 19–100 KPa, respectively. Experimental data from three gases in each PE sample were used for the single-parameter fitting, and fitting error was within about 12%. It was found that a single parameter was merely dependent on the properties of PE used. It was shown that, unlike with the Flory–Huggins model and the UNIFAC–M-H method, correlation between the crystallinity of the semicrystalline polymer and temperature had to be taken into account in order for the solubility data of alkane, olefin, and aromatic hydrocarbons in polyethylene to fit well, especially in the temperature range near the melting point of the polymer. The four free-energy contributions to the total gas activity were experimentally determined to be about 47%–60% combined, the free-volume contribution about 12%–25%, and the elastic effect about 22%–35%, but the interactional contribution was zero. The contributions changed with the size of the gas molecules. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 103: 1737–1744, 2007
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影响因子：
6
作者：
Jin‐San Yoon;Haneul Yoo;Kyung-Seock Kang
通讯作者：
Jin‐San Yoon;Haneul Yoo;Kyung-Seock Kang
影响因子：
4.2
作者：
Shyamal K. Nath;F. Escobedo;A. Pablo;Issarin Patramai
通讯作者：
Shyamal K. Nath;F. Escobedo;A. Pablo;Issarin Patramai
影响因子：
3
作者：
R. Hutchinson;W. Ray
通讯作者：
R. Hutchinson;W. Ray
影响因子：
6
作者：
T. McKenna
通讯作者：
T. McKenna
影响因子：
3.5
作者：
P. Starck;K. Rajanen;B. Löfgren
通讯作者：
P. Starck;K. Rajanen;B. Löfgren