動力學-光譜二維數(shù)據(jù)的秩分析及其應用.pdf

1、同濟大學碩士學位論文動力學光譜二維數(shù)據(jù)的秩分析及其應用姓名：趙怡申請學位級別：碩士專業(yè)：分析化學指導教師：朱仲良20030201聞脅六學碩士研究生畢業(yè)論文AbstractAkineticspectralmatrixcanbeobtainedbymonitoringthespectralchangesduringthechemicalreactionprocessItsrankisrelatedtothenumberofthecompon

2、entsinthesystemandtothekineticspectrumofeachcomponentIngeneral，furacertainspecificreactionsystem，thekineticspectraconformtothespecificfunctionalrelationsOccasionallytheyarelineardependence，whichcausestherankofthemeasurem

3、entmatrixlessthanthenumberofthecomponentsInthispaperthePrincipalComponentAnalysismethodhasbeenappliedtoanalyzethemeasurementmatricesofaseriesofrepresentativereactionmodelsTherelationshipbetweentherankandthenumberofthecom

4、ponentsandtherelationshipbetweentherankandthereactionmechanismcanthusbedeterminedFirstofall，studiesonthetheoreticalrankinvariousCasesbasedonthreesimplereactionmodels：A—BC，ABjC，BA一一一cC，werecarriedoutAnalysesoftherankofthe

5、correspondingsimulatedmatriceshaveprovedthattherankdependsontheratioofthereactantconcentrationsandtheratiooftherateconstantsRankanalysisWasappliedtotreatthematricesmeasuredintheprocessesofthehydrolyzationofthephenolbenzo

6、ateandthehydrolyzationoftheethylbenzoateandtheEDTACr3coordinationreactionTheresultsarereasonableFurthermore，resortingtotheTargetTestingFactorAnalysiscombinedwithNumericGeneticAlgorithm(TTFANGA)，thekineticparameterssuchas

7、thereactionordersandtherateconstants，aswell踮thekineticspectraandtheabsorptionspectracanthenbeobtainedSecond，basedontheconsecutivereactionmodel，therelationshipbetweentherankandthenumberoftheabsorbingspeciesWaSestablishedR

8、ankanalysiswasappliedtotreatthematricesmeasuredintheprocessofthesupersonicauxiliaryelectrodegradationofthebenzoicacidandintheoxidationprocessofthesodiumoxalatebythepotaSsiumpermanganateinthesulfuricacidmediumandtheexiste

9、nceoftheintermediatewasthenprovedFurtherresortingtochemometricmethodslikethelterativeTargetTestingFactorAnalysiscombiningwiththeiso—absorptivepointspectralfeature，theinformationsuchasthekineticspectraandthepurespectrawas