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SUSTAINABILITY IN THE DESIGN, SYNTHESIS AND ANALYSIS OF CHEMICAL ENGINEERING PROCESSES Edited by GERARDO RUIZ-MERCADO HERIBERTO CABEZAS Amsterdam(cid:129)Boston(cid:129)Heidelberg(cid:129)London NewYork(cid:129)Oxford(cid:129)Paris(cid:129)SanDiego SanFrancisco(cid:129)Singapore(cid:129)Sydney(cid:129)Tokyo Butterworth-HeinemannisanimprintofElsevier Butterworth-HeinemannisanimprintofElsevier TheBoulevard,LangfordLane,Kidlington,OxfordOX51GB,UK 50HampshireStreet,5thFloor,Cambridge,MA02139,USA Copyright(cid:1)2016ElsevierInc.Allrightsreserved. ContributionsmadebyGerardoRuiz-MercadoandHeribertoCabezasareinpublicdomain. Nopartofthispublicationmaybereproducedortransmittedinanyformorbyanymeans,electronic ormechanical,includingphotocopying,recording,oranyinformationstorageandretrievalsystem,without permissioninwritingfromthepublisher.Detailsonhowtoseekpermission,furtherinformationabout thePublisher’spermissionspoliciesandourarrangementswithorganizationssuchastheCopyrightClearance CenterandtheCopyrightLicensingAgency,canbefoundatourwebsite:www.elsevier.com/permissions. ThisbookandtheindividualcontributionscontainedinitareprotectedundercopyrightbythePublisher (otherthanasmaybenotedherein). Notices Knowledgeandbestpracticeinthisfieldareconstantlychanging.Asnewresearchandexperiencebroaden ourunderstanding,changesinresearchmethods,professionalpractices,ormedicaltreatmentmay becomenecessary. Practitionersandresearchersmustalwaysrelyontheirownexperienceandknowledgeinevaluatingand usinganyinformation,methods,compounds,orexperimentsdescribedherein.Inusingsuchinformationor methodstheyshouldbemindfuloftheirownsafetyandthesafetyofothers,includingpartiesforwhomthey haveaprofessionalresponsibility. Tothefullestextentofthelaw,neitherthePublishernortheauthors,contributors,oreditors,assume anyliabilityforanyinjuryand/ordamagetopersonsorpropertyasamatterofproductsliability,negligence orotherwise,orfromanyuseoroperationofanymethods,products,instructions,orideascontainedinthe materialherein. BritishLibraryCataloguing-in-PublicationData AcataloguerecordforthisbookisavailablefromtheBritishLibrary LibraryofCongressCataloging-in-PublicationData AcatalogrecordforthisbookisavailablefromtheLibraryofCongress ISBN:978-0-12-802032-6 ForinformationonallButterworth-Heinemannpublications visitourwebsiteathttps://www.elsevier.com/ Publisher:JoeHayton AcquisitionEditor:FionaGeraghty EditorialProjectManager:MariaConvey ProductionProjectManager:NickyCarter Designer:MariaInêsCruz TypesetbyTNQBooksandJournals DEDICATION To my mother and father, Ana and Gerardo, to my wonderful wife, Carola, to my daughters, Itzel and Eluney, and to my sisters, Ana M. and Yenis. Gerardo Ruiz-Mercado To my parents, Heriberto Cabezas y Cl(cid:1)avelo and Ana Rosa B. Fern(cid:1)andez y Sanchez de Cabezas, and to my sister, Ana C. Cabezas y Fern(cid:1)andez de Gonzalez, because without their love and support so many years ago, nothing would have been possible. Heriberto Cabezas ABOUT THE AUTHORS BHAVIK R. BAKSHI Bhavik R. Bakshi is a Professor of Chemical and Biomolecular Engineering at Ohio State University. He also holds appointments in civil, environmental, and geodetic engineering at Ohio State University and as a Visiting Professor at the Indian Institute of Technology in Mumbai, India. His research is developing methods and applications for assessing and designing sustainable systems while taking into account interactions between technological and ecological systems. He received his chemical engineering degrees from the University of Bombay and the Massachusetts Institute of Technology (MIT), with a minor in technology and environmental policy from MIT and Harvard. BOTOND BERTOK BotondBertokgraduatedasMasterofEngineeringinInformationTechnologyin 1999attheUniversityofPannonia(UP),Veszprem,Hungary,andgothisPhDinITin 2004.CurrentlyheisassociateprofessorattheFacultyofInformationTechnologyatthe UP. His research area is development of methods and software for computer-aided process design and optimization based on mathematical modeling. In the last decade he has developed courses and educational programs on process modeling and optimization including a graduate specialization program on supply chain optimization in the petro- leumindustryincooperationwithMOL,theHungarianoilandgascompany.Hehasled numerous R&D projects resulting in software for improving efficacy, safety, and sus- tainability of complex production systems, logistic networks, and supply chains. He has more than 120 international publications and more than 380 citations according to Google Scholar. NAVDEEP BHADBHADE Navdeep Bhadbhade has a master’s degree from Wayne State University. Before joining the master’s degree program he earned his Bachelor’s degree in Chemical EngineeringfromtheUniversityofPune(India).Hisresearchinterestsaremathematical modeling,simulation,optimization,andprocesscontrolfordynamicprocessesincluding electroplating processes. j xiii xiv AbouttheAuthors DEBANGSU BHATTACHARYYA Professor Bhattacharyya is currently an Associate Professor in the Department of Chemical Engineering at West Virginia University. Prior to this appointment he spent 3years as a Research Associate Professor at West Virginia University and more than 10years in the Refineries Division of Indian Oil Corporation Limited. His broad research interests are in the area of process systems engineering. ProfessorBhattacharyyareceivedhisPhDinChemicalEngineeringfromtheClarkson University, New York, in 2008. He has published more than 50 research papers and authored/coauthored more than 130 international presentations and 50 posters. He is a coauthorofthepopularchemicalengineeringdesignbookAnalysis,Synthesis,andDesign ofChemicalProcesses.Heisamemberoftheprestigious2015R&D100(widelyrecognized as the “Oscars of Invention”) winning team in the Software/Services category. ANA CARVALHO Ana Isabel Carvalho obtained her degree in Chemical Engineering in 2005. In 2009 she finished her PhD in Chemical Engineering. She is currently an Assistant Professor at Instituto Superior Técnico in Portugal. She is aresearcher at theCentre for ManagementStudiesofInstitutoSuperiorTécnico(CEG-IST).Herresearchinterestsare related to sustainability, more specifically applied to process design and retrofit. She has also been working in sustainable supply chains, definition assessment, and optimization. Life cycle assessment for environmental and social evaluation are also on her research work. She has published several papers in peer-reviewed international journals and has extensively presented her work at national and international conferences. She has been awarded several national and international awards in pedagogical and scientific activities (e.g., Sustainable Engineering Forum Student Paper AwardeAIChE). DAVID J.C. CONSTABLE David J.C. Constable is the Director of the American Chemical Society’s Green (cid:1) ChemistryInstitute .Inthisroleheworkstocatalyzeandenabletheimplementationof green chemistry and engineering throughout the global chemistry enterprise. David has workedinavarietyofindustrialpositionsinaerospaceanddefense,pharmaceuticals,and thechemical industry. Inthose roles he haslargely beeninvolved inassisting companies with the development and implementation of programs, systems, tools, and methodol- ogiesthatintegratedsustainability,lifecycleinventoryassessment,greenchemistry,green technology,energy,andenvironmental,healthandsafetyactivitiesintoexistingbusiness processes. AbouttheAuthors xv URMILA DIWEKAR Dr. Urmila Diwekar is currently the President of the Vishwamitra Research Institute(VRI,www.vri-custom.org),anonprofitresearchorganizationthatshefounded in 2004 to pursue multidisciplinary research in the areas of optimization under uncer- tainty and computer-aided design applied to energy, environment, and sustainability. From2002to2004shewasaProfessorintheDepartmentsofChemicalEngineering,Bio Engineering,andIndustrialEngineering,andintheInstituteforEnvironmentalScience and Policy, at the University of Illinois at Chicago. From 1991 to 2002 she was on the faculty of the Carnegie Mellon University. She is the author of more than 155 peer- reviewedresearchpapers,hasgivenover325presentationsandseminars,andhaschaired numerous sessions in national and international meetings. She has been the principal adviser to 40 PhD and MS students, and has advised 13 postdoctoral fellows and researchers. MAHMOUD M. EL-HALWAGI Dr.MahmoudM.El-HalwagiistheMcFerrinProfessorofChemicalEngineering at Texas A&M University. He received his PhD in Chemical Engineering from the University of California, Los Angeles, and his MS and BS from Cairo University. Dr. El-Halwagi has about 30years of experience in the areas of process integration, sustainable design, and optimization. He has served as a consultant to a wide variety of gas, fuel, chemical, petrochemical, and pharmaceutical industries. He is the coauthor of about200papersand60bookchapters.Heisalsotheauthor/coauthor/coeditorofnine booksincludingthreetextbooksonsustainableprocessdesignandintegration.Heisthe recipient of several awards including the American Institute of Chemical Engineers SustainableEngineering Forum(AIChESEF) Research ExcellenceAward,theDuPont Excellence Award in Safety, Health and the Environment, and the National Science Foundation’s National Young Investigator Award. MICHAEL GONZALEZ Michael is currently Chief of the Systems Analysis Branch in the US Environ- mental Protection Agency’s (US EPA’s) Office of Research and Development. His branch conducts life cycle assessment, impact assessment, and sustainable chemistry research.MichaelhasalsoservedastheSeniorAdvisorofGreenChemistrytotheOffice of Research and Development (ORD) and was responsible for integrating green chemistry and engineering into ORD’s research portfolio. Michael’s research interests focus on the design of green chemical synthesis routes, withan emphasis on theintersection of chemistry and chemicalengineering.Michael is xvi AbouttheAuthors also a coinventor and developer of the Environmental Protection Agency GREEN- SCOPEtool,whichevaluatesachemicalprocessforitssustainabilityvalueintheareasof environment, efficiency, energy, and economics. Michael earned his BS in Chemistry from the University of TexaseEl Paso in 1992 andhisPhDinInorganicChemistryfromtheUniversityofFloridain1998.Michaelhas published several articles in the areas of sustainability, green chemistry and engineering, and sustainability indicators for chemical processes. ANTHONY HALOG Dr. Anthony Halog is a Lecturer in Industrial Ecology at the University of Queensland, Australia. His research focuses on the sustainability of the humanenature complexitythroughunderstandingthenexusofmaterialandenergysystems.Dr.Halog is interested in the life cycle of manufactured goods and, ultimately, wastesdand in the environmental benefits and economic potential of circular and green economy. His Research Group in Industrial Ecology and Circular Economy at the University of Queensland endeavors to provide service/expertise for industry clients in transforming existing linear system-based value chains and operations toward circularity, which en- hances their resource efficiency and productivity, creates added value products from wastes, and reduces their emissions into the environment for more sustainable con- sumption and production in the future. ISTVA(cid:1)N HECKL Istv(cid:1)an Heckl studied Information Technologies at the University of Pannonia in Veszprém, Hungary. He got his PhD with the supervision of Professor Ferenc Friedler in2007.HeworksasanassociateprofessorattheUniversityofPannonia.Heisalecturer in the subjects of C programming, C++ programming, and elements of the theory of computation,amongothers.Hewasthesupervisorof11BScandMScthesesandisthe leader of several research and development projects. For example, the ProdSim project developed a product pipeline simulator to MOL (the major Hungarian oil company). ProdSim is capable of validating the short-term scheduling of the pipelines. As a result, planningperiodscouldbeincreasedfrom5to6daystouptoamonth.Hisresearcharea includesprocesssynthesis,optimization,separationnetworksynthesis,andsustainability. YINLUN HUANG Dr. Yinlun Huang is a Professor of Chemical Engineering and Materials Science at Wayne State University, where he directs the Laboratory for Multiscale Complex AbouttheAuthors xvii Systems Science and Engineering. His research has been mainly focused on the fundamental study of multiscale complex systems science and sustainability science, with applied study on engineering sustainability, including sustainable nanomaterial development, integrated design of sustainable product and process systems, and manufacturing sustainability. Dr. Huang is currently directing the National Science Foundationefunded Sustainable Manufacturing Advances in Research and Tech- nology Coordination Network (SMART CN), which involves many domestic and foreign universities and national organizations and university centers. Among many honors, Dr. Huang was a recipient of the Michigan Green Chemistry Governor’s Award in 2009, the AIChE Research Excellence in Sustainable Engineering Award in 2010, and the NASF Scientific Achievement Award in 2013. He is an elected AIChE Fellow. YUAN JIANG Ms Jiang is currently a graduate research assistant and PhD candidate of the DepartmentofChemicalEngineeringatWestVirginiaUniversity,workingontechno- economic analysis of coal biomass to liquids plants with carbon capture and storage and sustainable process design. Before that she received her BS degree in Chemical Engi- neering from the East China University of Science and Technology. Jiang’s research focuses on energy conversion and process systems engineering, including unit and system-level simulation, design, analysis, and optimization of processes utilizing coal biomass and shale gas/natural gas. CONCEPCIO(cid:1)N “CONCHITA” JIMÉNEZ-GONZA(cid:1)LEZ Dr. Concepcio(cid:1)n Jiménez-Gonz(cid:1)alez is a Program Lead for Global Manufacturing and Supply at GlaxoSmithKline (GSK). Prior to this role, she had a series of roles of increasingresponsibility,includingDirectorofNewProductDevelopmentandDirector of Operational Sustainability, among others. She has lived and worked in Mexico, the UnitedKingdom,andtheUnitedStates.BeforeGSKsheworkedforGeoEnvironmental Consultants, Instituto Tecnolo(cid:1)gico y de Estudios Superiores de Monterrey (ITESM) (Mexico), and as a visiting researcher at Pfizer. In addition to her job at GSK she is an adjunct professor in Chemical and Biomol- ecular Engineering at North Carolina State University (NCSU), and serves on the Governing Board of the American Chemistry Society’s Green Chemistry Institute. She holds a PhD in Chemical Engineering from NCSU, an MS in Environmental EngineeringfromITESM,Mexico,andaBSinChemicalandIndustrialEngineeringat the Chihuahua Institute of Technology, Mexico. xviii AbouttheAuthors PARASKEVI KARKA Paraskevi Karka graduated from the National Technical University of Athens (NTUA), School of Chemical Engineering, in 2006. Currently, she is a PhD candidate at the NTUA, School of Chemical Engineering in the Department of Process Analysis and Plant Design. She holds two MSc degrees in the fields of Energy Production and Management (School of Electrical and Computer Engineering, NTUA, 2010) and in Systems of Energy and Environmental Management (School of Chemical Engineering, NTUA, and Department of Industrial Management of the University of Piraeus, 2010). Her research interests include life cycle analysis and sustainability assessment of industrial processes. She has participated in various national and European research projects related to biomass utilization processes and the design of biorefineries. YASUNORI KIKUCHI Yasunori Kikuchi is a project associate professor, Presidential Endowed Chair for the “Platinum Society” and Department of Chemical System Engineering at the Uni- versity of Tokyo (UTokyo),Tokyo, Japan. He is concurrently a visiting associate pro- fessoratChibaUniversityinKashiwa,Japan,avisitingscholar,InternationalInstitutefor Carbon-NeutralEnergyResearchatKyushuUniversityinFukuoka,Japan,andaproject fellow at the Center for Research and Development Strategy in the Japan Science and Technology Agency in Tokyo. He received a PhD degree from the Department of Chemical System Engineering at UTokyo. He has been honored by the Society of Chemical Engineers, Japan Award for Outstanding Young Researcher (2016) and the Institute of Life Cycle Assessment, Japan Award for Outstanding Paper (2011). ANTONIS KOKOSSIS Dr.Kokossis,FIChemE,FIEE,FRSA,andFIET,isaProfessorofProcessSystems Engineering at the National Technical University of Athens (NTUA). He holds a Diploma in Chemical Engineering from NTUAand a PhDfrom Princeton University. He has expertise in process systems design and integration, renewable energy systems, polygeneration, biorefineries, and industrial symbiosis. His research has addressed the designofmultiphasereactors,complexseparationandreactive-separationsystems,energy and power networks, and environmental problems across a wide spectrum of app- lications. He holds 142 communications in international conferences, 129 publications in peer-reviewed journals, and 41 invited lectures in conferences at universities and multinational companies. He is a National Representative of the International Energy AbouttheAuthors xix Agency,theGreekSecretaryforResearchandTechnologyinClimateChange,andthe Computer Aided Process Engineering Group at the European Federation of Chemical Engineering. SHUYUN LI Shuyun received her BSdegree from Northeast Petroleum University in 2007 and MSdegreefromtheChinaUniversityofPetroleumin2010,bothinChemicalEngineering. Upon her master’s degree graduation, she worked as a process engineer at Beijing Petrochemical Engineering Co., Ltd. on simulation and design of refinery processes from2010to2013.SheiscurrentlypursuingaPhDdegreeinChemicalEngineeringatWest Virginia University. Her research mainly focuses on integrating advanced process control withsustainabilityassessmenttoolsforoptimizationandevaluationofenergysystems. FERNANDO V. LIMA Dr. Lima joined the faculty as an Assistant Professor of Chemical Engineering at WestVirginiaUniversityin2013.Hisresearchinterestsareintheareasofprocessdesign and optimization, advanced control and state estimation, emerging energy systems, and sustainability. His current research focuses on modeling, optimization, and control of advanced energy plants for maximized efficiency and sustainability. He received his BS degree from the University of S~ao Paulo in 2003 and his PhD from Tufts Universityin 2007,both in Chemical Engineering.Upon completionof his PhD he was a Research Associate at the University of WisconsineMadison and a Postdoctoral Associate at the University of Minnesota. Dr. Lima has authored and coauthored numerous publications and presentations in process systems engineering, energy, and sustainability. LE QUYEN LUU Ms Quyen Luu is a 5-year experienced researcher of sustainable energy devel- opment from the Institute of Energy Science, Vietnam Academy of Science and Technology.Quyendidhermaster’sonEnvironmentManagementattheUniversityof Queensland, Australia, with the support from an Australia Awards Scholarship. She got the Dean’s Commendation for her achievements during her study, and received the Young Southeast Asian Leaders Initiative scholarship to work with the US local gov- ernment on their environmental sustainability programs. Quyen participated in several projects of bringing equity in energy access to disadvantaged people, and developing a renewable energy mix for isolated areas. She is now working on the upscaling of

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