CO偶联合成草酸二乙酯反应体系的过程分析和模拟

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1、天津大学博士学位论文CO偶联合成草酸二乙酯反应体系的过程分析和模拟姓名：孟凡东申请学位级别：博士专业：有机化工反应工程指导教师：许根慧20030301AbstractSynthesisofoxygenatesfromcarbonmonoxidecontinuestoanareaofbothacademicandindustrialactivityInthiscontext，synthesisofdiethyloxalatefromcarbonmonoxideinagaseousphaseatatmosphericpressurehasprecentlyrec

2、eivedgrowingattention．ThisworkaimsmainlyatpracticaluseincommercializationBasedonpreviousresearches，thermodynamicanalysisofthecouplingreactionandregenerationreactionsystemwasperformedaccordingtothermodynamicdataobtainedintheseyearsandnewspeciesidentifiedrecently．Moreover,reactionbeh

3、aviorswithrespecttooperatingparametersandfeedcompositionwereinvestigatedinafixed·bedreactorStartingfromdifferentplausiblemechanisms，twenty—threerateexpressionswerederived．Theparametersineachproposedrateexpressionwereestimatedfromthenonlinearregression．Theappropriatemechanismwaspick

4、edOUtaccordingtotheitsphysicalmeaningoftheparametersandthestatistictestIesults．ItwasdiscoveredthatethylnitritedissociatesintoadsorbedethoxyI．adical(EtO*)andNO，whereuponethoxyradicalreactswithabsorbedcarbonmonoxidetoabsorbedalkoxycarboxide(COOEt)，whichfurtherassociatestodiethyloxala

5、teThesurfacereactionisthesolerate—determiningstep，Theintrinsickineticswasobtainedfromtheabovemechanismandtheexperimentaldata．Furthermore，byuseofthenonlinearfunctionalanalysisapproach·themethodofadjointoperators，thesensitivityanalysisforCOcouplingiscomprehensivelycarriedoutinorderto

6、revealimportantparametersintheresearchofreactionmechanismandinthedesignandoperationofatubularreactor．Meanwhile．Steady—stateshnulationOHthebasisofindustrialapplicationwerecarriedoutwiththeaidofamultipurposeprocesssimulatorinorderto『-ealizethepropermatchofcouplingreactionandregenerat

7、ionreactionTheeffectofallmainoperatingparametersontheprocessbehaviorswasinvestigatedandthesuitableoperationparameterswereobtained．Alltheselayasolidflmdationforrealizationofthetworeactions’popermatchandthezero·effluentofhazardousgasesinthisindustrialprocess．Keywords：CO。coupling；diet

8、hyloxalate；thermodynamican