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根据溶度参数理论,应用分子模拟软件Materials Studio 6.0研究在不同溶液配比下,混合溶剂的溶度参数值。根据模拟结果筛选溶剂,合成减阻剂样品。通过室内环道评价装置、红外、核磁碳谱以及XRD测试对样品进行表征和结构分析,发现当混合溶剂的溶度参数无限接近聚合物的溶度参数时,合成的减阻剂有更高的减阻增输效果。表明溶度参数理论可以作为实验指导,而模拟手段的加入可以简化实验步骤。
According to the theory of solubility parameter, the solubility parameter of mixed solvents under different solution proportions was studied by using Molecular Simulation Software 6.0. According to the results of the simulation screening of solvents, synthetic DRA samples. The characterization and structure analysis of the sample by means of an indoor loop evaluation device, infrared, nuclear magnetic carbon and XRD showed that when the solubility parameter of the mixed solvent is infinitely close to the solubility parameter of the polymer, the synthesized drag reducing agent has a higher Drag reduction effect. It is shown that the solubility parameter theory can be used as experimental guidance, and the addition of simulation means can simplify the experimental procedure.