聚脲微胶囊反应动力学参数及其pH数值法测定

1.深圳大学化学与环境工程学院,广东深圳518071;2.深圳飞扬骏研新材料股份有限公司,广东深圳518101

物理化学;高分子合成;聚脲;微胶囊;反应动力学;数值模拟;傅里叶变换红外光谱

Kinetics determination of polyuria microcapsules by a pH numerical simulation method
NI Zhuo1,MO Shaoni1,GUO Zhen1,ZHU Longhui2,ZENG Shan2,XIAO Yang2

1.College of Chemistry and Environmental Engineering, Shenzhen University, Shenzhen 518071, Guangdong Province, P. R. China;2.Shenzhen Feiyang Junyan New Material Co. Ltd., Shenzhen 518101, Guangdong Province, P. R. China

physical chemistry; polymer synthesis; polyurea (PUA); microcapsules; reaction kinetics; numerical simu⁃lation; Fourier transform infrared spectroscopy (FTIR)

DOI: 10.3724/SP.J.1249.2022.04456

备注

聚脲(polyurea,PUA)性能优异,在工业建筑、石油化工和海洋设施等领域具有广泛应用,但过快的PUA合成反应速度使得难以用传统方法测定PUA反应动力学.为解决这一问题,以甲苯二异氰酸酯(toluenediisocyanate,TDI)和三乙烯四胺(triethylenetetramine,TETA)为单体,通过反应过程中pH值的变化,采用pH数值模拟法建立数学模型求解聚脲反应动力学参数,并用傅里叶变换红外光谱(Fouriertransforminfraredspectroscopy,FTIR)法验证.pH数值模拟法操作简便,结果表明,利用pH数值模拟法测得的聚脲反应活化能为78kJ/mol,FTIR法计算的反应活化能为88kJ/mol,两种方法得到的活化能相近.说明pH数值模拟法快速测量动力学参数具有可行性和可靠性.
Polyurea is widely applied in various fields, including industrial buildings, petrochemicals and marine facilities, due to its excellent performance, but an excessively fast synthesis reaction makes it difficult to determine the kinetics of polyurea microcapsules by tranditional methods. To solve this problem, a mathematical model is developed by a pH numerical simulation method to calculate the kinetics parameters of the polyurea reaction through the change of pH value in the reaction process of the monomers of toluene diisocyanate (TDI) and triethylenetetramine (TETA). Fourier transform infrared spectroscopy (FTIR) is used to confirm the kinetics parameters obtained in the mentioned calculations. The results show that the pH numerical simulation method is simple to measure. The activation energy is 78 kJ/mol measured by the pH numerical simulation method, which is close to 88 kJ/mol measured by FTIR. The small variation of the activation energies between the two methods shows that pH numerical simulation method is feasible and reliable for rapid measurement of kinetics parameters of the PUA reaction.
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