Advanced Polymer Simulation and Processing: Volume I PDF
Preview Advanced Polymer Simulation and Processing: Volume I
Advanced Polymer Simulation and Processing Volume I Edited by Célio Bruno Pinto Fernandes, Salah Aldin Faroughi, Luís L. Ferrás and Alexandre M. Afonso Printed Edition of the Special Issue Published in Polymers www.mdpi.com/journal/polymers Advanced Polymer Simulation and Processing- Volume I Advanced Polymer Simulation and Processing- Volume I Editors Ce´lio Bruno Pinto Fernandes Salah Aldin Faroughi Lu´ıs L. Ferra´s Alexandre M. Afonso MDPI Basel Beijing Wuhan Barcelona Belgrade Manchester Tokyo Cluj Tianjin • • • • • • • • • Editors Ce´lioBrunoPintoFernandes SalahAldinFaroughi Lu´ısL.Ferra´s UniversityofMinho TexasStateUniversity UniversityofPorto Portugal USA Portugal AlexandreM.Afonso UniversityofPorto Portugal EditorialOffice MDPI St. Alban-Anlage66 4052Basel,Switzerland ThisisareprintofarticlesfromtheSpecialIssuepublishedonlineintheopenaccessjournalPolymers (ISSN2073-4360) (availableat: https://www.mdpi.com/journal/polymers/special issues/Polym Simul Process). Forcitationpurposes,citeeacharticleindependentlyasindicatedonthearticlepageonlineandas indicatedbelow: LastName,A.A.; LastName,B.B.; LastName,C.C.ArticleTitle. JournalNameYear,VolumeNumber, PageRange. Volume1 Volume1-2 ISBN978-3-0365-6664-1(Hbk) ISBN978-3-0365-6662-7(Hbk) ISBN978-3-0365-6665-8(PDF) ISBN978-3-0365-6663-4(PDF) © 2023 by the authors. Articles in this book are Open Access and distributed under the Creative Commons Attribution (CC BY) license, which allows users to download, copy and build upon publishedarticles,aslongastheauthorandpublisherareproperlycredited,whichensuresmaximum disseminationandawiderimpactofourpublications. ThebookasawholeisdistributedbyMDPIunderthetermsandconditionsoftheCreativeCommons licenseCCBY-NC-ND. Contents AbouttheEditors . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ix Prefaceto“AdvancedPolymerSimulationandProcessing-VolumeI” . . . . . . . . . . . . . . xi Ce´lioFernandes,SalahA.Faroughi,Lu´ısL.Ferra´sandAlexandreM.Afonso AdvancedPolymerSimulationandProcessing Reprintedfrom: Polymers2022,14,2480,doi:10.3390/polym14122480 . . . . . . . . . . . . . . . . 1 AbelardoTorres-Alba,JorgeManuelMercado-Colmenero,JuanDeDiosCaballero-Garcia andCristinaMartin-Don˜ate A Hybrid Cooling Model Based on the Use of Newly Designed Fluted Conformal Cooling ChannelsandFastcoolInsertsforGreenMolds Reprintedfrom: Polymers2021,13,3115,doi:10.3390/polym13183115 . . . . . . . . . . . . . . . . 5 AbelardoTorres-Alba,JorgeManuelMercado-Colmenero,JuandeDiosCaballero-Garciaand CristinaMartin-Don˜ate ApplicationofNewTripleHook-ShapedConformalCoolingChannelsforCoresandSlidersin InjectionMoldingtoReduceResidualStressandWarpinginComplexPlasticOpticalParts Reprintedfrom: Polymers2021,13,2944,doi:10.3390/polym13172944 . . . . . . . . . . . . . . . . 27 Adrian Benitez Lozano, Santiago Henao A´lvarez, Carlos Vargas Isaza and Wilfredo Montealegre-Rubio Analysis and Advances in Additive Manufacturing as a New Technology to Make Polymer InjectionMoldsforWorld-ClassProductionSystems Reprintedfrom: Polymers2022,14,1646,doi:10.3390/polym14091646 . . . . . . . . . . . . . . . . 47 AhmadFakhari,ZˇeljkoTukovic,OlgaSousaCarneiroandCe´lioFernandes AnEffectiveInterfaceTrackingMethodforSimulatingtheExtrudateSwellPhenomenon Reprintedfrom: Polymers2021,13,1305,doi:10.3390/polym13081305 . . . . . . . . . . . . . . . . 67 A.D.DrozdovandJ.deClavilleChristiansen Thermo-MechanicalBehaviorofPoly(etheretherketone): ExperimentsandModeling Reprintedfrom: Polymers2021,13,1779,doi:10.3390/polym13111779 . . . . . . . . . . . . . . . . 87 Alexander Vasil’kov, Alexander Budnikov, Tatiana Gromovykh, Marina Pigaleva, Vera Sadykova,NataliaArkharovaandAlexanderNaumkin EffectofBacterialCellulosePlasmaTreatmentontheBiologicalActivityofAgNanoparticles DepositedUsingMagnetronDeposition Reprintedfrom: Polymers2022,14,3907,doi:10.3390/polym14183907 . . . . . . . . . . . . . . . . 105 AminRazeghiyadaki,DongmingWei,AsmaPerveenandDichuanZhang AMulti-RheologyDesignMethodofSheetingPolymerExtrusionDiesBasedonFlowNetwork andtheWinter-FritzDesignEquation Reprintedfrom: Polymers2021,13,1924,doi:10.3390/polym13121924 . . . . . . . . . . . . . . . . 121 AnnetteRu¨ppel,SusanneWolff,JanPhilippOldemeier,VolkerScho¨ppnerandHans-Peter Heim InfluenceofProcessingGlass-FiberFilledPlasticsonDifferentTwin-ScrewExtrudersandVarying ScrewDesignsonFiberLengthandParticleDistribution Reprintedfrom: Polymers2022,14,3113,doi:10.3390/polym14153113 . . . . . . . . . . . . . . . . 141 AntonioCastelo,AlexandreM.AfonsoandWesleyDeSouzaBezerra AHierarchicalGridSolverforSimulationofFlowsofComplexFluids Reprintedfrom: Polymers2021,13,3168,doi:10.3390/polym13183168 . . . . . . . . . . . . . . . . 153 v Camilo Febres-Molina, Jorge A. Aguilar-Pineda, Pamela L. Gamero-Begazo, Haruna L. Barazorda-Ccahuana,DiegoE.Valencia,KarinJ.Vera-Lo´pez,etal. Structural and Energetic Affinity of Annocatacin B with ND1 Subunit of the Human MitochondrialRespiratoryComplexIasaPotentialInhibitor: AnInSilicoComparisonStudy withtheKnownInhibitorRotenone Reprintedfrom: Polymers2021,13,1840,doi:10.3390/polym13111840 . . . . . . . . . . . . . . . . 169 Ce´lioFernandes AFullyImplicitLog-ConformationTensorCoupledAlgorithmfortheSolutionofIncompressible Non-IsothermalViscoelasticFlows Reprintedfrom: Polymers2022,14,4099,doi:10.3390/polym14194099 . . . . . . . . . . . . . . . . 191 Ce´lioFernandes,AhmadFakhariandZˇeljkoTukovic Non-Isothermal Free-Surface Viscous Flow of Polymer Melts in Pipe Extrusion Using an Open-SourceInterfaceTrackingFiniteVolumeMethod Reprintedfrom: Polymers2021,13,4454,doi:10.3390/polym13244454 . . . . . . . . . . . . . . . . 219 Chao-MingLinandYun-JuChen TaguchiOptimizationofRoundnessandConcentricityofaPlasticInjectionMoldedBarrelofa TelecentricLens Reprintedfrom: Polymers2021,13,3419,doi:10.3390/polym13193419 . . . . . . . . . . . . . . . . 239 Chao-TsaiHuang,Tsai-WenLin,Wen-RenJongandShia-ChungChen AMethodologytoPredictandOptimizeEaseofAssemblyforInjectedPartsinaFamily-Mold System Reprintedfrom: Polymers2021,13,3065,doi:10.3390/polym13183065 . . . . . . . . . . . . . . . . 261 Chil-ChyuanKuo,Jing-YanXu,Yi-JunZhuandChong-HaoLee Effects of Different Mold Materials and Coolant Media on the Cooling Performance of Epoxy-BasedInjectionMolds Reprintedfrom: Polymers2022,14,280,doi:10.3390/polym14020280 . . . . . . . . . . . . . . . . . 289 ChristianHopmann,LisaLeuchtenberger,MalteScho¨nandLenaWallhorn EffectofLocalHeatPipeCoolingonThroughputDistributionandThermalHomogeneityina BinaryMeltPre-DistributorforPolyolefinExtrusion Reprintedfrom: Polymers2022,14,2271,doi:10.3390/polym14112271 . . . . . . . . . . . . . . . . 313 Christian Marschik, Wolfgang Roland, Marius Do¨rner, Georg Steinbichler and Volker Scho¨ppner Leakage-FlowModelsforScrewExtruders Reprintedfrom: Polymers2021,13,1919,doi:10.3390/polym13121919 . . . . . . . . . . . . . . . . 331 DaniyarSyrlybayev, BeibitZharylkassyn, AidanaSeisekulova, AsmaPerveenandDidier Talamona OptimizationoftheWarpageofFusedDepositionModelingPartsUsingFiniteElementMethod Reprintedfrom: Polymers2021,13,3849,doi:10.3390/polym13213849 . . . . . . . . . . . . . . . . 357 EkaterinaVachagina,NikolayDushin,ElviraKutuzovaandAidarKadyirov ExactSolutionforViscoelasticFlowinPipeandExperimentalValidation Reprintedfrom: Polymers2022,14,334,doi:10.3390/polym14020334 . . . . . . . . . . . . . . . . . 377 Fanny Caste´ran, Karim Delage, Nicolas Hascoe¨t, Amine Ammar, Francisco Chinesta and PhilippeCassagnau Data-DrivenModellingofPolyethyleneRecyclingunderHigh-TemperatureExtrusion Reprintedfrom: Polymers2022,14,800,doi:10.3390/polym14040800 . . . . . . . . . . . . . . . . . 389 vi FranciscoPulgar,LuisAyala,Matı´asJeldres,PedroRobles,PedroG.Toledo,Iva´nSalazarand RicardoI.Jeldres Lime/Sodium Carbonate Treated Seawater to Improve Flocculation and Sedimentation of Clay-BasedTailings Reprintedfrom: Polymers2021,13,4108,doi:10.3390/polym13234108 . . . . . . . . . . . . . . . . 413 HsiHsunTsaiandYiLinLiao Feasibility Study of the Flatness of a Plastic Injection Molded Pallet by a Newly Proposed SequentialValveGateSystem Reprintedfrom: Polymers2022,14,616,doi:10.3390/polym14030616 . . . . . . . . . . . . . . . . . 429 IbrahimDubdub Pyrolysis Study of Mixed Polymers for Non-Isothermal TGA: Artificial Neural Networks Application Reprintedfrom: Polymers2022,14,2638,doi:10.3390/polym14132638 . . . . . . . . . . . . . . . . 453 JinHyeokCha,WoojuLeeandJihyeBaek PenetrationofHydrogenintoPolymerElectrolyteMembraneforFuelCellsbyQuantumand MolecularDynamicsSimulations Reprintedfrom: Polymers2021,13,947,doi:10.3390/polym13060947 . . . . . . . . . . . . . . . . . 463 vii About the Editors Ce´lioBrunoPintoFernandes Dr. Ce´lioFernandesobtainedhisEducationofMathematicsdegreefromtheUniversityofMinho (Portugal)in2005. Aftergraduating,C.FernandesobtainedhisAppliedMathematicsMScdegree attheUniversityofPorto(Portugal)in2007. Duringthisperiod, C.Fernandesemployedspectral methods to describe the melt flow that occurs in the polymer extrusion process. Afterwards, C. Fernandes joined the Department of Polymer Engineering at the University of Minho (Portugal) wherehecompletedhisPh.D.degreeinScienceandEngineeringofPolymersandCompositesin2012. Duringthisperiod,C.FernandesmadeimportantcontributionstothefieldoftheInjectionMolding Processbyapplyingmulti-objectiveevolutionaryalgorithmstosolvetheinverseproblemoffinding the best injection molding parameters to achieve predefined criteria. C. Fernandes was a visiting Post-DoctoralresearcheratMIT,USAin2017. C.Fernandeshasbeenworkingwiththeopen-source computationalfluiddynamicslibraryOpenFOAM.Hehasestablishednewnumericalmethodsforthe solution of viscoelastic matrix-based fluids using the finite volume method, such as an immersed boundary method able to fully-resolve particle-laden viscoelastic flows and developed a fully implicitlog-conformationtensorcoupledalgorithmforthesolutionofincompressiblenon-isothermal viscoelasticflows. SalahAldinFaroughi Dr. SalahA.FaroughiisanAssistantProfessorintheIngramSchoolofEngineeringatTexasState University. HeholdsaB.Sc. andM.Sc. inMechanicalEngineering. HeobtainedhisPh.D.inCiviland EnvironmentalEngineeringatGeorgiaInstituteofTechnology, whereheinvestigatedtheeffectof microstructures(e.g.,particleshape,size,type,orientation,andrearrangement)ontherheophysics andthermophysicsofcomplexparticulatematter(e.g.,fluidsandcomposites). Hedidhispostdoctoral studyattheMassachusettsInstituteofTechnologyinthedepartmentofMechanicalEngineering. His postdocresearchfocusedonthedevelopmentofhigh-performancecomputingalgorithmsaugmented using physics-based deep learning models to explore the dynamics of particle-laden viscoelastic materials. Hisstudiesprovidedanswerstomultiplelong-livedfundamentalquestionsandresultedin severalwell-citedpaperspublishedinprestigiousjournalssuchasNature,JournalofAppliedPhysics, PhysicalReviewE,andJNNFM,amongmanyothers. Lu´ısL.Ferra´s L.L.Ferra´sisanAssistantProfessorattheDepartmentofMechanicalEngineering,Facultyof Engineering,UniversityofPorto(FEUP)andaresearcherattheCentreforMathematics,Universityof Minho,Portugal. HereceivedhisPh.D.inScienceandEngineeringofPolymersandCompositesfrom theUniversityofMinhoin2012,aPh.D.inMathematicsfromtheUniversityofChesterin2019,and wasavisitingresearcheratMITin2016. Hiscurrentresearchinterestsarenumericalanalysis,applied mathematics, partial and fractional differential equations, mathematical modeling, computational mechanics,computationalfluiddynamics,complexviscoelasticflows,rheology,anomalousdiffusion, andmachinelearning. ix AlexandreM.Afonso Afonso graduated in Chemical Engineering from Faculty of Engineering of the University of Porto(FEUP)in2000,withafinal-yearResearchProjectattheUniversidadPolitecnicadeCatalunya gradedwithanHonorGrade(10/10). In2005,AfonsocompletedanMScinHeatandFluidmechanics and,in2010,completedaPhDdegreeinBiologicalandChemicalEngineeringfromFEUP.Currently, AfonsoisanAssistantProfessorattheDepartmentofMechanicalEngineeringatFEUP. x Preface to “Advanced Polymer Simulation and Processing- Volume I” Polymer-processing techniques are of the utmost importance for producing polymeric parts. They must produce parts with the desired qualities, which are usually related to mechanical performance,dimensionalconformity,andappearance. Aimingtomaximizetheoverallefficiencyof thepolymer-processingtechniques,advancedmodelingcodesalongwithexperimentalmeasurements areneededtosimulateandoptimizetheprocesses. Ourobjectivewiththisreprintistoprovidea textthatexploitsthedigitaltransformationoftheplasticsindustry,boththroughthecreationofmore robustandaccuratemodelingtoolsandthedevelopmentofcutting-edgeexperimentaltechniques. Wewouldliketothankallthosewhohavesupportedusincompletingthiswork. Ce´lioBrunoPintoFernandes,SalahAldinFaroughi,Lu´ısL.Ferra´s,andAlexandreM.Afonso Editors xi
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