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- W2353289619 abstract "Six models of common vegetable oil biodiesel were constructed.Each contains 21 chains and four kinds of methyl octadecanate to study their low temperature fluidity.Molecular dynamics(MD) simulation was carried out at different temperatures in NVT ensemble and by COMPASS force field.Heat capacities and self-diffusion constants of each system at different temperatures were calculated,and the interval intersection of both significant changes with the simulation temperature was then achieved.It was found that the intersection of each system was consistent with its Cold Filter Plugging Point(CFPP),which proved that the model and method mentioned here is feasible for the entitled study.The investigation on the microstructures of different temperatures before and after CFPP revealed that when the temperature drops to the CFPP below,molecular chains tend to be coordinated and extended,and local arrangement is more orderly,which is consistent with the definition of the CFPP and the fundamental of entropy-decrease." @default.
- W2353289619 created "2016-06-24" @default.
- W2353289619 creator A5022465137 @default.
- W2353289619 date "2012-01-01" @default.
- W2353289619 modified "2023-09-23" @default.
- W2353289619 title "Molecular Dynamics Simulation on Cold Filter Plugging Point(CFPP)of Several Modeled Biodiesel Systems" @default.
- W2353289619 hasPublicationYear "2012" @default.
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