{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,14]],"date-time":"2026-04-14T23:24:42Z","timestamp":1776209082680,"version":"3.50.1"},"reference-count":25,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2022,2,4]],"date-time":"2022-02-04T00:00:00Z","timestamp":1643932800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Separations"],"abstract":"<jats:p>n-Propyl Propionate (ProPro) is a harmless biodegradable product employed in several fields for the production of drugs, inks, coating, food, and perfume. ProPro is synthesized in an equilibrium reaction for which its yield can be enhanced by constant withdraw of the products as the reaction takes place. Simulated Moving Bed Reactor (SMBR) is a candidate for the production of ProPro with high efficiency as it is a multifunction unit able to simultaneously run reaction and separation, hence shifting the equilibrium reaction toward products. This paper proposes a complete phenomenological model for the ProPro synthesis in a Simulated Moving Bed Reactor (SMBR) packed with the heterogeneous catalyst Amberlyst 46 resin. The operating conditions are defined by the Triangle Theory to design an SMBR unit to produce ProPro efficiently and a comprehensive parameter estimation procedure is employed to obtain more representative parameters. The validated phenomenological model was applied to design an SMBR unit to produce high purity (99.28%) ProPro.<\/jats:p>","DOI":"10.3390\/separations9020043","type":"journal-article","created":{"date-parts":[[2022,2,6]],"date-time":"2022-02-06T20:40:18Z","timestamp":1644180018000},"page":"43","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["A Complete Heterogeneous Model for the Production of n-Propyl Propionate Using a Simulated Moving Bed Reactor"],"prefix":"10.3390","volume":"9","author":[{"given":"Rodrigo","family":"Santos","sequence":"first","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Engenharia Industrial (Industrial Engineering Program), Escola Polit\u00e9cnica (Polytechnique Institut), Universidade Federal da Bahia, Salvador 40210-630, BA, Brazil"},{"name":"Laboratory of Separation and Reaction Engineering, Associate Laboratory LSRE-LCM, Department of Chemical Engineering, Faculty of Engineering, University of Porto, 4200-465 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0796-8116","authenticated-orcid":false,"given":"Carine","family":"Rebello","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Engenharia Industrial (Industrial Engineering Program), Escola Polit\u00e9cnica (Polytechnique Institut), Universidade Federal da Bahia, Salvador 40210-630, BA, Brazil"}]},{"given":"Anderson","family":"Prudente","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Engenharia Industrial (Industrial Engineering Program), Escola Polit\u00e9cnica (Polytechnique Institut), Universidade Federal da Bahia, Salvador 40210-630, BA, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4269-1420","authenticated-orcid":false,"given":"Ana M.","family":"Ribeiro","sequence":"additional","affiliation":[{"name":"Laboratory of Separation and Reaction Engineering, Associate Laboratory LSRE-LCM, Department of Chemical Engineering, Faculty of Engineering, University of Porto, 4200-465 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0715-4761","authenticated-orcid":false,"given":"Al\u00edrio E.","family":"Rodrigues","sequence":"additional","affiliation":[{"name":"Laboratory of Separation and Reaction Engineering, Associate Laboratory LSRE-LCM, Department of Chemical Engineering, Faculty of Engineering, University of Porto, 4200-465 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6051-6039","authenticated-orcid":false,"given":"Jos\u00e9 M.","family":"Loureiro","sequence":"additional","affiliation":[{"name":"Laboratory of Separation and Reaction Engineering, Associate Laboratory LSRE-LCM, Department of Chemical Engineering, Faculty of Engineering, University of Porto, 4200-465 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8208-0854","authenticated-orcid":false,"given":"Karen V.","family":"Pontes","sequence":"additional","affiliation":[{"name":"Programa de P\u00f3s-Gradua\u00e7\u00e3o em Engenharia Industrial (Industrial Engineering Program), Escola Polit\u00e9cnica (Polytechnique Institut), Universidade Federal da Bahia, Salvador 40210-630, BA, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0963-6449","authenticated-orcid":false,"given":"Idelfonso B. R.","family":"Nogueira","sequence":"additional","affiliation":[{"name":"Laboratory of Separation and Reaction Engineering, Associate Laboratory LSRE-LCM, Department of Chemical Engineering, Faculty of Engineering, University of Porto, 4200-465 Porto, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2022,2,4]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"164","DOI":"10.1016\/j.compchemeng.2019.06.010","article-title":"Chromatographic Studies of N-Propyl Propionate, Part II: Synthesis in a Fixed Bed Adsorptive Reactor, Modelling and Uncertainties Determination","volume":"128","author":"Nogueira","year":"2019","journal-title":"Comput. Chem. Eng."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"3515","DOI":"10.1021\/ie070889t","article-title":"Multifunctional Reactor for the Synthesis of Dimethylacetal","volume":"47","author":"Pereira","year":"2008","journal-title":"Ind. Eng. Chem. Res."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"106820","DOI":"10.1016\/j.compchemeng.2020.106820","article-title":"Transient Analysis of True\/Simulated Moving Bed Reactors: A Case Study on the Synthesis of n-Propyl Propionate","volume":"137","author":"Santana","year":"2020","journal-title":"Comput. Chem. Eng."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"125041","DOI":"10.1016\/j.cej.2020.125041","article-title":"Multi-Objective Optimization of Non-Isothermal Simulated Moving Bed Reactor: Methyl Acetate Synthesis","volume":"395","author":"Wang","year":"2020","journal-title":"Chem. Eng. J."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"115802","DOI":"10.1016\/j.ces.2020.115802","article-title":"Simulated Moving Bed Reactor for P-Xylene Production: Modeling, Simulation, and Optimization","volume":"225","author":"Shi","year":"2020","journal-title":"Chem. Eng. Sci."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"107821","DOI":"10.1016\/j.cep.2020.107821","article-title":"Dynamics of a True Moving Bed Reactor: Synthesis of n-Propyl Propionate and an Alternative Optimization Method","volume":"148","author":"Nogueira","year":"2020","journal-title":"Chem. Eng. Process.-Process Intensif."},{"key":"ref_7","unstructured":"Duarte, C.F.M. (2006). Production of TAME and N-Propyl Propionate by Reactive Distillation, University of Porto."},{"key":"ref_8","unstructured":"The Dow Chemical Company (2021, September 15). Amberlyst 46 \u00ae. No. 177, 3028. Available online: https:\/\/www.lenntech.com\/Data-sheets\/Dow-Amberlyst-46-L.pdf."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"118","DOI":"10.1016\/j.compchemeng.2012.01.004","article-title":"Synthesis of N-Propyl Propionate in a Pilot-Plant Reactive Distillation Column: Experimental Study and Simulation","volume":"39","author":"Buchaly","year":"2012","journal-title":"Comput. Chem. Eng."},{"key":"ref_10","unstructured":"Lundquist, E.G. (1995). Catalyzed Esterification Process. (5,426,199), U.S. Patent."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"3919","DOI":"10.1021\/acs.iecr.5b00147","article-title":"Design and Control of Dividing-Wall Column for the Synthesis of n-Propyl Propionate by Reactive Distillation","volume":"54","author":"Dai","year":"2015","journal-title":"Ind. Eng. Chem. Res."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"559","DOI":"10.1016\/j.compchemeng.2017.08.003","article-title":"Design and Control of Entrainer-Assisted Reactive Distillation for N-Propyl Propionate Production","volume":"106","author":"Xia","year":"2017","journal-title":"Comput. Chem. Eng."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1016\/j.cep.2015.08.003","article-title":"Simulated Moving Bed Reactor for Butyl Acrylate Synthesis: From Pilot to Industrial Scale","volume":"97","author":"Constantino","year":"2015","journal-title":"Chem. Eng. Process. Process Intensif."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"10735","DOI":"10.1021\/acs.iecr.6b02474","article-title":"Enhanced Simulated Moving Bed Reactor Process for Butyl Acrylate Synthesis: Process Analysis and Optimization","volume":"55","author":"Constantino","year":"2016","journal-title":"Ind. Eng. Chem. Res."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1016\/S1385-8947(00)00359-4","article-title":"Design Methodology and Operation of a Simulated Moving Bed Reactor for the Inversion of Sucrose and Glucose-Fructose Separation","volume":"82","author":"Azevedo","year":"2001","journal-title":"Chem. Eng. J."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"7904","DOI":"10.1021\/acs.iecr.1c01276","article-title":"Global Approach for Simulated Moving Bed Model Identification: Design of Experiments, Uncertainty Evaluation, and Optimization Strategy Assessment","volume":"60","author":"Santos","year":"2021","journal-title":"Ind. Eng. Chem. Res."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"555","DOI":"10.1016\/S1381-1169(01)00495-2","article-title":"Esterification of Different Acids over Heterogeneous and Homogeneous Catalysts and Correlation with the Taft Equation","volume":"182","author":"Lilja","year":"2002","journal-title":"J. Mol. Catal. A Chem."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"371","DOI":"10.1016\/j.compchemeng.2018.09.020","article-title":"Chromatographic Studies of N-Propyl Propionate: Adsorption Equilibrium, Modelling and Uncertainties Determination","volume":"119","author":"Nogueira","year":"2018","journal-title":"Comput. Chem. Eng."},{"key":"ref_19","unstructured":"Prudente, A.N., Santana, D.D., Pontes, K.V., Loureiro, J.M., Ribeiro, A.M., and Nogueira, I.B.R. (2019, January 1\u20133). Engineering: Parameter Estimation of a Liquid-Liquid Equilibrium for the Quaternary System n-Propanol, Propanoic Acid, Propyl Propionate and Water Though the Exploration and Exploitation Technique. Proceedings of the Congresso de M\u00e9todos Num\u00e9ricos em Engenharia, Guimar\u00e3es, Portugal ."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1016\/j.fluid.2016.05.033","article-title":"Liquid-Liquid Equilibrium for the Quaternary System Propionic Acid + n-Propanol + n-Propyl Propionate + Water at 293.15, 313.15 and 333.15 K","volume":"425","author":"Samarov","year":"2016","journal-title":"Fluid Phase Equilib."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"1263","DOI":"10.1002\/aic.14701","article-title":"Synthesis of Butyl Acrylate in a Fixed-Bed Adsorptive Reactor over Amberlyst 15","volume":"61","author":"Constantino","year":"2015","journal-title":"AIChE J."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"790","DOI":"10.1016\/j.cep.2007.05.023","article-title":"Hybrid Separation Processes-Combination of Reactive Distillation with Membrane Separation","volume":"46","author":"Buchaly","year":"2007","journal-title":"Chem. Eng. Process. Process Intensif."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"38","DOI":"10.1016\/j.cep.2014.08.001","article-title":"Design and Control of Reactive Distillation-Recovery Distillation Flowsheet with a Decanter for Synthesis of N-Propyl Propionate","volume":"85","author":"Xu","year":"2014","journal-title":"Chem. Eng. Process. Process Intensif."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1016\/S0009-2509(00)00229-3","article-title":"Continuous Reactive Chromatography","volume":"56","author":"Lode","year":"2001","journal-title":"Chem. Eng. Sci."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"1329","DOI":"10.1016\/0009-2509(89)85006-7","article-title":"Optimal Desgin of Multicomponent Cuntercurrent Adsorption Separation Processes Involving Nonlinear Equilibria","volume":"44","author":"Sporti","year":"1989","journal-title":"Chem. Eng. Sci."}],"container-title":["Separations"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2297-8739\/9\/2\/43\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T22:14:05Z","timestamp":1760134445000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2297-8739\/9\/2\/43"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,2,4]]},"references-count":25,"journal-issue":{"issue":"2","published-online":{"date-parts":[[2022,2]]}},"alternative-id":["separations9020043"],"URL":"https:\/\/doi.org\/10.3390\/separations9020043","relation":{},"ISSN":["2297-8739"],"issn-type":[{"value":"2297-8739","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,2,4]]}}}