{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,10,10]],"date-time":"2024-10-10T09:10:14Z","timestamp":1728551414960},"reference-count":55,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2024,10,1]],"date-time":"2024-10-01T00:00:00Z","timestamp":1727740800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2024,10,1]],"date-time":"2024-10-01T00:00:00Z","timestamp":1727740800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2024,7,13]],"date-time":"2024-07-13T00:00:00Z","timestamp":1720828800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/4.0\/"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Computers & Chemical Engineering"],"published-print":{"date-parts":[[2024,10]]},"DOI":"10.1016\/j.compchemeng.2024.108806","type":"journal-article","created":{"date-parts":[[2024,7,24]],"date-time":"2024-07-24T18:50:01Z","timestamp":1721847001000},"page":"108806","update-policy":"http:\/\/dx.doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["A coupled metabolic flux\/compartmental hydrodynamic model for large-scale aerated bioreactors"],"prefix":"10.1016","volume":"189","author":[{"ORCID":"http:\/\/orcid.org\/0009-0002-7805-9785","authenticated-orcid":false,"given":"Ittisak","family":"Promma","sequence":"first","affiliation":[]},{"given":"Marc G.","family":"Aucoin","sequence":"additional","affiliation":[]},{"ORCID":"http:\/\/orcid.org\/0000-0002-1772-0376","authenticated-orcid":false,"given":"Nasser Mohieddin","family":"Abukhdeir","sequence":"additional","affiliation":[]},{"given":"Hector","family":"Budman","sequence":"additional","affiliation":[]}],"member":"78","reference":[{"issue":"4","key":"10.1016\/j.compchemeng.2024.108806_b1","doi-asserted-by":"crossref","first-page":"513","DOI":"10.1016\/j.compchemeng.2003.08.010","article-title":"A general methodology for hybrid multizonal\/CFD models: Part II. Automatic zoning","volume":"28","author":"Bezzo","year":"2004","journal-title":"Comput. Chem. Eng."},{"issue":"8","key":"10.1016\/j.compchemeng.2024.108806_b2","doi-asserted-by":"crossref","first-page":"2133","DOI":"10.1002\/aic.690490821","article-title":"General hybrid multizonal\/CFD approach for bioreactor modeling","volume":"49","author":"Bezzo","year":"2003","journal-title":"AIChE J."},{"key":"10.1016\/j.compchemeng.2024.108806_b3","doi-asserted-by":"crossref","unstructured":"Cabral, Brian, Leedom, Leith Casey, 1993. Imaging vector fields using line integral convolution. In: Proceedings of the 20th Annual Conference on Computer Graphics and Interactive Techniques. pp. 263\u2013270.","DOI":"10.1145\/166117.166151"},{"issue":"2","key":"10.1016\/j.compchemeng.2024.108806_b4","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1128\/ecosalplus.3.5.2","article-title":"Tricarboxylic acid cycle and glyoxylate bypass","volume":"1","author":"Cronan","year":"2005","journal-title":"EcoSal PLus"},{"year":"2010","series-title":"Development of a compartment model based on CFD simulations for description of mixing in bioreactors","author":"Delafosse","key":"10.1016\/j.compchemeng.2024.108806_b5"},{"issue":"2","key":"10.1016\/j.compchemeng.2024.108806_b6","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1016\/S0168-1656(00)00365-5","article-title":"Physiological responses to mixing in large scale bioreactors","volume":"85","author":"Enfors","year":"2001","journal-title":"J. Biotechnol."},{"issue":"1","key":"10.1016\/j.compchemeng.2024.108806_b7","doi-asserted-by":"crossref","first-page":"259","DOI":"10.1007\/s10589-010-9329-3","article-title":"Implementing the Nelder-Mead simplex algorithm with adaptive parameters","volume":"51","author":"Gao","year":"2012","journal-title":"Comput. Optim. Appl."},{"year":"2012","series-title":"Explicit Nonlinear Model Predictive Control: Theory and Applications","author":"Grancharova","key":"10.1016\/j.compchemeng.2024.108806_b8"},{"year":"2022","series-title":"OpenFOAM v10 User Guide","author":"Greenshields","key":"10.1016\/j.compchemeng.2024.108806_b9"},{"issue":"4","key":"10.1016\/j.compchemeng.2024.108806_b10","doi-asserted-by":"crossref","first-page":"1104","DOI":"10.1016\/j.celrep.2014.03.070","article-title":"Metabolic resource allocation in individual microbes determines ecosystem interactions and spatial dynamics","volume":"7","author":"Harcombe","year":"2014","journal-title":"Cell Rep."},{"key":"10.1016\/j.compchemeng.2024.108806_b11","doi-asserted-by":"crossref","first-page":"870","DOI":"10.1016\/j.cherd.2018.06.005","article-title":"Inter-compartment interaction in multi-impeller mixing: Part I. Experiments and multiple reference frame CFD","volume":"136","author":"Haringa","year":"2018","journal-title":"Chem. Eng. Res. Des."},{"key":"10.1016\/j.compchemeng.2024.108806_b12","doi-asserted-by":"crossref","first-page":"886","DOI":"10.1016\/j.cherd.2018.06.007","article-title":"Inter-compartment interaction in multi-impeller mixing. Part II. Experiments, sliding mesh and large eddy simulations","volume":"136","author":"Haringa","year":"2018","journal-title":"Chem. Eng. Res. Des."},{"issue":"10","key":"10.1016\/j.compchemeng.2024.108806_b13","doi-asserted-by":"crossref","first-page":"2383","DOI":"10.1002\/aic.10211","article-title":"Macroinstability uncovered in a Rushton turbine stirred tank by means of LES","volume":"50","author":"Hartmann","year":"2004","journal-title":"AIChE J."},{"issue":"11","key":"10.1016\/j.compchemeng.2024.108806_b14","doi-asserted-by":"crossref","first-page":"3696","DOI":"10.1002\/aic.10997","article-title":"Mixing times in a turbulent stirred tank by means of LES","volume":"52","author":"Hartmann","year":"2006","journal-title":"AIChE J."},{"issue":"9","key":"10.1016\/j.compchemeng.2024.108806_b15","doi-asserted-by":"crossref","first-page":"1268","DOI":"10.1205\/cerd.82.9.1268.44169","article-title":"Force effects of the macro-instability of flow pattern on radial baffles in a stirred vessel with pitched-blade and Rushton turbine impellers","volume":"82","author":"Hasal","year":"2004","journal-title":"Chem. Eng. Res. Des."},{"issue":"5","key":"10.1016\/j.compchemeng.2024.108806_b16","doi-asserted-by":"crossref","first-page":"214","DOI":"10.1049\/iet-syb.2013.0021","article-title":"Dynamic flux balance analysis for synthetic microbial communities","volume":"8","author":"Henson","year":"2014","journal-title":"IET Syst. Biol."},{"issue":"4","key":"10.1016\/j.compchemeng.2024.108806_b17","doi-asserted-by":"crossref","first-page":"381","DOI":"10.1002\/1097-0290(20001120)70:4<381::AID-BIT3>3.0.CO;2-0","article-title":"Studies related to the scale-up of high-cell-density E. coli fed-batch fermentations using multiparameter flow cytometry: Effect of a changing microenvironment with respect to glucose and dissolved oxygen concentration","volume":"70","author":"Hewitt","year":"2000","journal-title":"Biotechnol. Bioeng."},{"issue":"1","key":"10.1016\/j.compchemeng.2024.108806_b18","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/S1385-8947(98)00124-7","article-title":"Feedstream jet intermittency phenomenon in a continuous stirred tank reactor","volume":"72","author":"Houcine","year":"1999","journal-title":"Chem. Eng. J."},{"issue":"5","key":"10.1016\/j.compchemeng.2024.108806_b19","doi-asserted-by":"crossref","first-page":"843","DOI":"10.1002\/aic.690250513","article-title":"Drag coefficient and relative velocity in bubbly, droplet or particulate flows","volume":"25","author":"Ishii","year":"1979","journal-title":"AIChE J."},{"key":"10.1016\/j.compchemeng.2024.108806_b20","doi-asserted-by":"crossref","DOI":"10.1016\/j.ces.2019.115196","article-title":"Compartmental modelling in chemical engineering: A critical review","volume":"210","author":"Jourdan","year":"2019","journal-title":"Chem. Eng. Sci."},{"issue":"12","key":"10.1016\/j.compchemeng.2024.108806_b21","doi-asserted-by":"crossref","first-page":"3068","DOI":"10.1002\/aic.11639","article-title":"Impact of sampling method and scale on the measurement of mixing and the coefficient of variance","volume":"54","author":"Kukukov\u00e1","year":"2008","journal-title":"AIChE J."},{"key":"10.1016\/j.compchemeng.2024.108806_b22","series-title":"IEEE Visualization, 2003. VIS 2003","first-page":"131","article-title":"Image space based visualization of unsteady flow on surfaces","author":"Laramee","year":"2003"},{"key":"10.1016\/j.compchemeng.2024.108806_b23","doi-asserted-by":"crossref","first-page":"281","DOI":"10.1007\/BF00369471","article-title":"Substrate gradients in bioreactors: Origin and consequences","volume":"14","author":"Larsson","year":"1996","journal-title":"Bioprocess Eng."},{"issue":"5","key":"10.1016\/j.compchemeng.2024.108806_b24","doi-asserted-by":"crossref","first-page":"347","DOI":"10.1002\/bit.1068","article-title":"Determination of the maximum specific uptake capacities for glucose and oxygen in glucose-limited fed-batch cultivations of Escherichia coli","volume":"73","author":"Lin","year":"2001","journal-title":"Biotechnol. Bioeng."},{"key":"10.1016\/j.compchemeng.2024.108806_b25","first-page":"549","article-title":"Prediction of impeller induced flows in mixing vessels using multiple frames of reference","volume":"vol. 136","author":"Luo","year":"1994"},{"issue":"3","key":"10.1016\/j.compchemeng.2024.108806_b26","doi-asserted-by":"crossref","first-page":"1331","DOI":"10.1016\/S0006-3495(02)73903-9","article-title":"Dynamic flux balance analysis of diauxic growth in Escherichia coli","volume":"83","author":"Mahadevan","year":"2002","journal-title":"Biophys. J."},{"year":"2011","series-title":"Towards the Numerical Simulation of Multi-Scale Two-Phase Flows","author":"Marschall","key":"10.1016\/j.compchemeng.2024.108806_b27"},{"issue":"1","key":"10.1016\/j.compchemeng.2024.108806_b28","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1002\/aic.14238","article-title":"A coupled population balance model and CFD approach for the simulation of mixing issues in lab-scale and industrial bioreactors","volume":"60","author":"Morchain","year":"2014","journal-title":"AIChE J."},{"key":"10.1016\/j.compchemeng.2024.108806_b29","doi-asserted-by":"crossref","DOI":"10.1016\/j.cej.2021.130402","article-title":"Development of dynamic compartment models for industrial aerobic fed-batch fermentation processes","volume":"420","author":"Nadal-Rey","year":"2021","journal-title":"Chem. Eng. J."},{"key":"10.1016\/j.compchemeng.2024.108806_b30","doi-asserted-by":"crossref","DOI":"10.1016\/j.biotechadv.2020.107660","article-title":"Understanding gradients in industrial bioreactors","volume":"46","author":"Nadal-Rey","year":"2021","journal-title":"Biotechnol. Adv."},{"issue":"1","key":"10.1016\/j.compchemeng.2024.108806_b31","doi-asserted-by":"crossref","first-page":"108","DOI":"10.1016\/j.ymben.2010.09.003","article-title":"Dynamic model of CHO cell metabolism","volume":"13","author":"Nolan","year":"2011","journal-title":"Metabolic Eng."},{"issue":"2","key":"10.1016\/j.compchemeng.2024.108806_b32","doi-asserted-by":"crossref","first-page":"278","DOI":"10.1021\/bp000002n","article-title":"Gene expression profiling by DNA microarrays and metabolic fluxes in Escherichiacoli","volume":"16","author":"Oh","year":"2000","journal-title":"Biotechnol. Prog."},{"issue":"2","key":"10.1016\/j.compchemeng.2024.108806_b33","doi-asserted-by":"crossref","first-page":"200","DOI":"10.1080\/09715010.2018.1535921","article-title":"CFD simulation model for mixing tank using multiple reference frame (MRF) impeller rotation","volume":"27","author":"Patil","year":"2021","journal-title":"ISH J. Hydraul. Eng."},{"key":"10.1016\/j.compchemeng.2024.108806_b34","doi-asserted-by":"crossref","first-page":"267","DOI":"10.1016\/j.ces.2014.11.035","article-title":"Investigating the interactions between physical and biological heterogeneities in bioreactors using compartment, population balance and metabolic models","volume":"126","author":"Pigou","year":"2015","journal-title":"Chem. Eng. Sci."},{"year":"2020","series-title":"Multi-Parametric Optimization and Control","author":"Pistikopoulos","key":"10.1016\/j.compchemeng.2024.108806_b35"},{"key":"10.1016\/j.compchemeng.2024.108806_b36","first-page":"111","article-title":"A primer on model selection using the akaike information criterion","volume":"5","author":"Portet","year":"2020","journal-title":"Infect. Dis. Model."},{"key":"10.1016\/j.compchemeng.2024.108806_b37","first-page":"141","article-title":"Evaporation from drops-I and-II","volume":"48","author":"Ranz","year":"1952","journal-title":"Chem. Eng. Prog."},{"issue":"24","key":"10.1016\/j.compchemeng.2024.108806_b38","doi-asserted-by":"crossref","first-page":"4041","DOI":"10.1016\/S0009-2509(98)00203-6","article-title":"Large eddy simulations of the turbulent flow in a stirred reactor","volume":"53","author":"Revstedt","year":"1998","journal-title":"Chem. Eng. Sci."},{"issue":"4","key":"10.1016\/j.compchemeng.2024.108806_b39","doi-asserted-by":"crossref","first-page":"286","DOI":"10.1002\/1097-0290(2000)71:4<286::AID-BIT1018>3.0.CO;2-R","article-title":"Combining pathway analysis with flux balance analysis for the comprehensive study of metabolic systems","volume":"71","author":"Schilling","year":"2000","journal-title":"Biotechnol. Bioeng."},{"key":"10.1016\/j.compchemeng.2024.108806_b40","doi-asserted-by":"crossref","DOI":"10.1016\/j.automatica.2022.110217","article-title":"Fast computation of binary search tree for PWA functions representation using intersection classification","volume":"141","author":"Schulze","year":"2022","journal-title":"Automatica"},{"key":"10.1016\/j.compchemeng.2024.108806_b41","series-title":"Process Dynamics and Control","first-page":"244","author":"Seborg","year":"2016"},{"issue":"10","key":"10.1016\/j.compchemeng.2024.108806_b42","doi-asserted-by":"crossref","first-page":"1762","DOI":"10.3390\/pr9101762","article-title":"Set membership estimation with dynamic flux balance models","volume":"9","author":"Shen","year":"2021","journal-title":"Processes"},{"key":"10.1016\/j.compchemeng.2024.108806_b43","article-title":"SimDFBA: A framework for bioprocess simulation and development","volume":"169","author":"Shoabjareh","year":"2023","journal-title":"Comput. Chem. Eng."},{"issue":"6","key":"10.1016\/j.compchemeng.2024.108806_b44","doi-asserted-by":"crossref","first-page":"927","DOI":"10.1002\/bit.260280620","article-title":"Growth of Saccharomyces cerevisiae is controlled by its limited respiratory capacity: Formulation and verification of a hypothesis","volume":"28","author":"Sonnleitner","year":"1986","journal-title":"Biotechnol. Bioeng."},{"key":"10.1016\/j.compchemeng.2024.108806_b45","doi-asserted-by":"crossref","first-page":"236","DOI":"10.1016\/j.compchemeng.2018.12.015","article-title":"A CFD based automatic method for compartment model development","volume":"123","author":"Tajsoleiman","year":"2019","journal-title":"Comput. Chem. Eng."},{"issue":"11","key":"10.1016\/j.compchemeng.2024.108806_b46","doi-asserted-by":"crossref","first-page":"1849","DOI":"10.1016\/S0009-2509(02)00085-4","article-title":"Transverse migration of single bubbles in simple shear flows","volume":"57","author":"Tomiyama","year":"2002","journal-title":"Chem. Eng. Sci."},{"issue":"5","key":"10.1016\/j.compchemeng.2024.108806_b47","doi-asserted-by":"crossref","first-page":"945","DOI":"10.1016\/S0005-1098(02)00308-4","article-title":"Evaluation of piecewise affine control via binary search tree","volume":"39","author":"T\u00f8ndel","year":"2003","journal-title":"Automatica"},{"key":"10.1016\/j.compchemeng.2024.108806_b48","doi-asserted-by":"crossref","first-page":"108650","DOI":"10.1016\/j.compchemeng.2024.108650","article-title":"A flow alignment-informed method for compartmental modelling","volume":"185","author":"Vasile","year":"2024","journal-title":"Computers & Chemical Engineering"},{"key":"10.1016\/j.compchemeng.2024.108806_b49","doi-asserted-by":"crossref","first-page":"261","DOI":"10.1038\/s41592-019-0686-2","article-title":"SciPy 1.0: Fundamental algorithms for scientific computing in Python","volume":"17","author":"Virtanen","year":"2020","journal-title":"Nat. Methods"},{"issue":"23","key":"10.1016\/j.compchemeng.2024.108806_b50","doi-asserted-by":"crossref","first-page":"5881","DOI":"10.1016\/S0009-2509(00)00175-5","article-title":"Mixing in large-scale vessels stirred with multiple radial or radial and axial up-pumping impellers: Modelling and measurements","volume":"55","author":"Vr\u00e1bel","year":"2000","journal-title":"Chem. Eng. Sci."},{"issue":"3","key":"10.1016\/j.compchemeng.2024.108806_b51","doi-asserted-by":"crossref","first-page":"463","DOI":"10.1016\/S1385-8947(00)00271-0","article-title":"CMA: Integration of fluid dynamics and microbial kinetics in modelling of large-scale fermentations","volume":"84","author":"Vr\u00e1bel","year":"2001","journal-title":"Chem. Eng. J."},{"issue":"3","key":"10.1016\/j.compchemeng.2024.108806_b52","doi-asserted-by":"crossref","first-page":"844","DOI":"10.1002\/bit.27243","article-title":"Coupled metabolic-hydrodynamic modeling enabling rational scale-up of industrial bioprocesses","volume":"117","author":"Wang","year":"2020","journal-title":"Biotechnol. Bioeng."},{"issue":"5","key":"10.1016\/j.compchemeng.2024.108806_b53","doi-asserted-by":"crossref","first-page":"1508","DOI":"10.1002\/aic.10407","article-title":"Methodology for modeling detailed imperfect mixing effects in complex reactors","volume":"51","author":"Wells","year":"2005","journal-title":"AIChE J."},{"key":"10.1016\/j.compchemeng.2024.108806_b54","doi-asserted-by":"crossref","first-page":"564","DOI":"10.1007\/s002530051433","article-title":"Glucose overflow metabolism and mixed-acid fermentation in aerobic large-scale fed-batch processes with Escherichia coli","volume":"51","author":"Xu","year":"1999","journal-title":"Appl. Microbiol. Biotechnol."},{"issue":"1","key":"10.1016\/j.compchemeng.2024.108806_b55","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1021\/bp9801087","article-title":"Modeling of overflow metabolism in batch and fed-batch cultures of Escherichiacoli","volume":"15","author":"Xu","year":"1999","journal-title":"Biotechnol. Progress"}],"container-title":["Computers & Chemical Engineering"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0098135424002242?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0098135424002242?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2024,10,10]],"date-time":"2024-10-10T08:40:55Z","timestamp":1728549655000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0098135424002242"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,10]]},"references-count":55,"alternative-id":["S0098135424002242"],"URL":"https:\/\/doi.org\/10.1016\/j.compchemeng.2024.108806","relation":{},"ISSN":["0098-1354"],"issn-type":[{"type":"print","value":"0098-1354"}],"subject":[],"published":{"date-parts":[[2024,10]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"A coupled metabolic flux\/compartmental hydrodynamic model for large-scale aerated bioreactors","name":"articletitle","label":"Article Title"},{"value":"Computers & Chemical Engineering","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.compchemeng.2024.108806","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2024 The Author(s). Published by Elsevier Ltd.","name":"copyright","label":"Copyright"}],"article-number":"108806"}}