涂料工业研发数字化战略的设计和实施.pdf

1、Design and implementation of a digitalization strategyfor coatings industrial research and developmentCameron L.BrownGroup Leader,Applications ResearchCASE Technology,Eastman CApproved for external use.Metal packaging coatings undergo a lotof stressSource:Food Packaging Forum:https:/www.foodpackagin

2、gforum.org/food-packaging-health/can-coatingsLarge deformation oncoated metal sheetsDirect contact withaggressive foodFood sterilizationat 120 130 C2 3 yearsshelf lifeFreshtasting foodApproved for external use.Complex design spaces+CompositionalStructuralBalance of PropertiesThermal(Tg,Tm)Viscosity/

3、Molecular WeightReactivitySolubilityOHHOOCOHHOOCOHEnd-groupDistributionsLinear orBranched*polyesters act as the main binder;however,formulations also include addedcrosslinkers,solvents,catalysts,andvarious other additivesHOOCCOOHHOOHHOOCOHHOOCCOOHHOOHApproved for external use.Modeling via first prin

4、ciplesApproved for external use.InputsOutputsFlory,P.,Chem.Rev.1946,39,1,137-197Stockmayer,W.,J.Polym.Sci.1952,9,1,69-71+HOOCCOOHHOOHHOOCOHEnd-Groups(AN,OHN)Composition(acids,glycols)Molecular Weight(Mn,Mw,PDI)functionality(f,fOH,fCOOH)Charging ratios(r)Thermal properties(Tg,Tm)p,gelation,finalresin

5、/condensate massInherentViscosity(IV)Modeling via machine learningApproved for external use.InputsOutputsEnd-Groups(AN,OHN)Composition(acids,glycols)Number-AverageMolecular Weight(Mn)Weight-AverageMolecular Weight(Mw)Inherent Viscosity(IV)Solubility in CommonCoating Solvents(Crystallization)Glass Tr

6、ansitionTemperature(Tg)*all models are random forest(classifier for crystallization and regression for everything else)*rows with missing outputs are filtered out before predictionMolecularRepresentationsReaction ConditionsFirst PrinciplesCalculations+HOOCCOOHHOOHHOOCOHStacking models togetherInputs