交聯(lián)環(huán)氧樹(shù)脂結(jié)構(gòu)與玻璃化轉(zhuǎn)變的分子模擬研究

1、畢業(yè)設(shè)計(jì)（論文）本科畢業(yè)設(shè)計(jì)（論文）計(jì)（論文）題目：交聯(lián)環(huán)氧樹(shù)脂結(jié)構(gòu)與玻璃化轉(zhuǎn)變的分子模擬研究專(zhuān)業(yè)：材料物理畢業(yè)設(shè)計(jì)（論文）MolecularsimulationstudyonthestructureglasstransitionbehaviofcrosslinkedepoxyresinAbstractThemolecularsimulationmethodwasemployedtoconstructthecrosslinkedepox

2、yresinwkmodelwhichconsistsofdiglycidyletherbisphenolA(DGEBA)isophonediamine(IPD).Thestructuralacteristicsofcrosslinkedepoxyresinwereexpledbyinvestigatingtheatomicpackingfeaturerotarymotionoflocalbonds.Thefinalresultsshow

3、thatthereexistthreedifferenttypesofhydrogenbondinginteractionsinthestructurewhichareOH…OHOH…OetherOH…N.Theflexibilityofbondswereunevenlydistributedonepoxysegmentsbondsnearthecrosslinkingpointthebenzenesexhibitlessflexibi

4、lity.What’smetheincreasingtemperaturewillweakentheinteractionofatomsreinfcethechainflexibilityofthecrosslinkedepoxyresin.Theglasstransitionbehaviofthecrosslinkedepoxywasinvestigatedbymoleculardynamicsmethod.Thefinalresul

5、tsindicatethatthedecreasingcrosslinkingratemayarousethedecreaseoftheglasstransitiontemperature(Tg)ofepoxyresin.Tgcalculatedfromspecificvolumewasveryclosetotheexperimentvaluewitha6Kdeviationonly.Thecuringshrinkagerateofep

6、oxyresinwasverysmall.thethermalstabilitywillstrengthenwhenthecrosslinkingrateincreases.Thesimulatedresultssuchascuringshrinkageratethermalexpansioncoefficientsareidenticalwiththeexperimentalvalues.Keywds:EpoxyResin；Cross