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1、CHAPTER4TheReactivityofEnergeticMaterialsatExtremeConditionsLaurenceE.FriedChemistry,MaterialsScience,andLifeSciencesDirectorateLawrenceLivermoreNationalLaboratory,Livermore,CaliforniaINTRODUCTIONEnergeticmaterialsareuniqueforhavingastrongexothermicreacti
2、vity,whichhasmadethemdesirableforbothmilitaryandcommercialapplications.Energeticmaterialsarecommonlydividedintohighexplosives,propellants,andpyrotechnics.Wewillfocusonhighexplosive(HE)materialshere,althoughagreatdealofcommonalityexistsbetweentheclassesofe
3、nergeticmaterials.AlthoughthehistoryofHEmaterialsislong,theircondensed-phasepropertiesarepoorlyunderstood.Understandingthecondensed-phasepropertiesofHEmaterialsisimpor-tantfordeterminingstabilityandperformance.InformationregardingHEmaterialproperties[such
4、asthephysical,chemical,andmechanicalbehaviorsoftheconstituentsinplastic-bondedexplosive(PBX)formulations]isnecessaryforefficientlybuildingthenextgenerationofexplosivesasthequestformorepowerfulenergeticmaterials(intermsofenergypervolume)moves1forward.Therei
5、saneedtobetterunderstandthephysical,chemical,andmechan-icalbehaviorswhenmodelingHEmaterialsfromfundamentaltheoreticalprinciples.AmongthequantitiesofinterestinPBXs,forexample,arethermo-dynamicstabilities,reactionkinetics,equilibriumtransportcoefficients,mec
6、hanicalmoduli,andinterfacialpropertiesbetweenHEmaterialsandtheReviewsinComputationalChemistry,Volume25editedbyKennyB.LipkowitzandThomasR.CundariCopyrightß2007Wiley-VCH,JohnWiley&Sons,Inc.159160TheReactivityofEnergeticMaterialsatExtremeConditionspolymericb
7、inders.Thesepropertiesareneeded(asfunctionsofstressstateand2temperature)forthedevelopmentofimprovedmicro-mechanicalmodels,whichrepresentthePBXatthelevelofhighexplosivegrainsandpolymeric3,4binder.Improvedmicro-mechanicalmodelsareneededtodescribetheresponse
8、sofPBXstodynamicstressorthermalloading,thusyieldinginforma-tionforuseindevelopingcontinuummodels.Detaileddescriptionsofthechemicalreactionmechanismsofcondensedenergeticmaterialsathighdensitiesandtemperaturesareessen
