Study on the relationship of the molecular structure and performance of diesel cold flow improver(CF

来源 :第四届国际分子模拟大会(The International Conference on Molecular Simula | 被引量 : 0次 | 上传用户:zxypost
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  Using the research method of quantitative structure-activity relationship(QSAR),the key energy parameters associated with the crystallization process of diesel,Einter-CFI and Eads-C18(111),were selected out.The equation describing the relationship between Einter-CFI,Eads-C18(111)and the performance of reducing cold filter plugging point(CFPP)were built.In the same way,associated with Einter-CFI and Eads-C18(111)were also screened out,and built the equation describing the relationship between the key molecular structure characteristic parameters and Einter-CFI,Eads-C18(111).By analyzing the meaning of the equations,the intrinsic mechanism about the effect of Einter-CFI and Eads-C18(111)on the performance of reducing CFPP was elaborated.The equations also can give detailed explanation about the effect of the key molecular structure characteristic parameters on the growth morphology of diesel wax(denoted as n-octadecane)crystal and the relationship of the effect and the performance of reducing CFPP.
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