EVA型聚合物分子设计、合成与应用研究

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1、AbstractPourpointdepressant(PPD)additivesareveryusefultoproducedieselfuelswithexcellentlow-temperatureflowproperties．ComponentsoftheparaffindistillatecanbepartlyextendedtoproducedieseloilbyusingthePPDadditives，whichhasbeenpracticallyappliedinindustria

2、lprocessesbytakingadvantagesofimprovingtheflexibilityandtheprofitsoftheproduct，aswellasmaintainingthehighvaluesofeetanecomponents．Firstly,thesynthesisofethylene—vinylacetate-based(EVA)PPDwereinvestigatedandthesyntheticprinciplesforthecopolymerswereobt

3、ained．Accordingtothecharacterizationoftherelevantfunctions，itWaSsuggestedthatthecopolymerofethylene，vinylacetateandpropylene(EVAP)hadtheoptimalefficiencytodecreasethecoldfilterplugpoint(CFPP)ofthedieseloil．ThenthefunctionalmechanismofthiskindofPPDWKSi

4、ntensivetystudiedbyusingtheinvertedmicroscope，thedifferentialscanningcalorimeter,theX—raydiffraction，etc．ThemechanismWKSdeterminedasthefunctionofCO—crystallizationandadsorption，whichprovidedthebasisfortheexploringofnewPPDthroughthemethodofmoleculardes

5、ignandoptimization．FurtheritwasinvestigatedthatthemutualmoleculesactionsbetweentheEVAandthealkanesbyusingdensityfunctiontheory,semi—empiricalquantumchemistry,molecularmechanicsandmoleculardynamics，etc．Adsorptionenergywascalculatedattheplanesofparaffin

6、crystalsandtheadsorptionprinciplesweresimulated．Itwasindicatedthatthepolargroupsenhancedtherigidityofthecorrespondingmoleculesandthenon—polargroupskeptgoodaffinityforthealkanemolecules，whichmadeitpossibleforthePPDmoleculetoinvadeintothecrystallatticea

7、ndformCO—erystllizationcomplexes．ThesimdationresultssuggestedthattheEVAPshowedsignificanteffectsonthenucleationandgrowthoftheparaffincrystalwhentheacetateconcentrationWaSaround30％andthereexistedonebranchedmethylgroupneartheacetategroupineachblock．Base

8、d0ntheabovemoleculardesign，thesynthesisoftheoptimalPPDadditives2wereinvestigatedandtheoperationconditionsoptimized．Thescale—upeffectsstudiedandtheindustrialproduceofthePPDadditiveswasaccomplished．CooperatingwithsomeoilrefineriesinChina，theprac