{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T07:24:09Z","timestamp":1760081049752,"version":"build-2065373602"},"reference-count":20,"publisher":"MDPI AG","issue":"7","license":[{"start":{"date-parts":[[2025,4,1]],"date-time":"2025-04-01T00:00:00Z","timestamp":1743465600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia (FCT)","award":["PRT\/BD\/153600\/2022","UIDB\/00511\/2020","UIDP\/00511\/2020","LA\/P\/0045\/2020","UIDB\/04028\/2020","UIDB\/00100\/2020","UIDP\/00100\/2020"],"award-info":[{"award-number":["PRT\/BD\/153600\/2022","UIDB\/00511\/2020","UIDP\/00511\/2020","LA\/P\/0045\/2020","UIDB\/04028\/2020","UIDB\/00100\/2020","UIDP\/00100\/2020"]}]},{"name":"National funds through FCT\/MCTES (PIDDAC)","award":["PRT\/BD\/153600\/2022","UIDB\/00511\/2020","UIDP\/00511\/2020","LA\/P\/0045\/2020","UIDB\/04028\/2020","UIDB\/00100\/2020","UIDP\/00100\/2020"],"award-info":[{"award-number":["PRT\/BD\/153600\/2022","UIDB\/00511\/2020","UIDP\/00511\/2020","LA\/P\/0045\/2020","UIDB\/04028\/2020","UIDB\/00100\/2020","UIDP\/00100\/2020"]}]},{"name":"CERENA\u2014Centro de Recursos Naturais e Ambiente","award":["PRT\/BD\/153600\/2022","UIDB\/00511\/2020","UIDP\/00511\/2020","LA\/P\/0045\/2020","UIDB\/04028\/2020","UIDB\/00100\/2020","UIDP\/00100\/2020"],"award-info":[{"award-number":["PRT\/BD\/153600\/2022","UIDB\/00511\/2020","UIDP\/00511\/2020","LA\/P\/0045\/2020","UIDB\/04028\/2020","UIDB\/00100\/2020","UIDP\/00100\/2020"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Sustainability"],"abstract":"<jats:p>The separation via the extractive distillation of 1,3-butadiene from C4 hydrocarbon mixtures is an essential step in synthetic rubber and plastic production. Conventional extractive distillation methods rely on solvents such as N,N-dimethylformamide (DMF) and N-methyl-2-pyrrolidone (NMP), which, despite their efficiency, pose significant environmental and health risks. This study investigates the feasibility of replacing these hazardous solvents with 1,2-propylene carbonate (PC), a greener alternative that aligns with REACH restrictions and CEFIC recommendations. The adoption of green solvents closely follows the UN\u2019s Sustainable Development Goals (SDGs). Indeed, by using green solvents, industries reduce pollution, enhance worker safety, and minimize their environmental impact, contributing to multiple SDGs, and thus fostering sustainable economic growth. Advanced solvent screening methodologies, based on thermodynamic solution models (NRTL-RK) and quantum-based approaches (COSMO-RS), were employed to evaluate PC\u2019s viability. Aspen Plus\u00ae simulations were conducted to evaluate the industrial feasibility of PC in the 1,3-butadiene separation process. The results indicate that PC achieves comparable 1,3-butadiene separation efficiency while offering economic, operational, and environmental benefits. These findings underscore the importance of integrating sustainable solvents into industrial processes, reducing reliance on hazardous chemicals, improving compliance with evolving regulatory frameworks, and supporting sustainable industrial development.<\/jats:p>","DOI":"10.3390\/su17073124","type":"journal-article","created":{"date-parts":[[2025,4,2]],"date-time":"2025-04-02T04:06:05Z","timestamp":1743566765000},"page":"3124","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["An Alternative Green Solvent for 1,3-Butadiene Extraction"],"prefix":"10.3390","volume":"17","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0291-6077","authenticated-orcid":false,"given":"Jo\u00e3o Pedro","family":"Gomes","sequence":"first","affiliation":[{"name":"LEPABE\u2014Laboratory for Process Engineering, Environment, Biotechnology and Energy, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal"},{"name":"AliCE\u2014Associate Laboratory in Chemical Engineering, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0009-0002-7664-7460","authenticated-orcid":false,"given":"Rodrigo","family":"Silva","sequence":"additional","affiliation":[{"name":"Repsol Pol\u00edmeros, S.A., 7520-954 Sines, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0009-0002-4844-7226","authenticated-orcid":false,"given":"Clemente Pedro","family":"Nunes","sequence":"additional","affiliation":[{"name":"CERENA, Instituto Superior T\u00e9cnico, 1049-001 Lisbon, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6707-9775","authenticated-orcid":false,"given":"Domingos","family":"Barbosa","sequence":"additional","affiliation":[{"name":"LEPABE\u2014Laboratory for Process Engineering, Environment, Biotechnology and Energy, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal"},{"name":"AliCE\u2014Associate Laboratory in Chemical Engineering, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2025,4,1]]},"reference":[{"key":"ref_1","unstructured":"Welter, J., Matteson, D., Spicehandler, A., and Ang-Bok, A. (2011). Enhanced Distillation and Supercritical Extraction. Separation Process Principles, John Wiley & Sons, Inc.. [3rd ed.]."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"4996","DOI":"10.1021\/ie070774p","article-title":"Butadiene Purification Using Polar Solvents. Analysis of Solution Nonideality Using Data and Estimation Methods","volume":"47","author":"Mathias","year":"2008","journal-title":"Ind. Eng. Chem. Res."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1016\/0378-3812(95)02847-1","article-title":"Solubility of pure 1,3 butadiene and methyl propene and their mixtures in pure n-methyl-2-pyrrolidone and in its aqueous solutions","volume":"118","author":"Oliveira","year":"1996","journal-title":"Fluid Phase Equilib."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1016\/S1004-9541(09)60028-8","article-title":"Simulation of 1,3-Butadiene Production Process by Dimethylformamide Extractive Distillation","volume":"17","author":"Yang","year":"2009","journal-title":"Chin. J. Eng."},{"key":"ref_5","unstructured":"Meyers, R.A. (2005). BASF Butadiene Extraction Technology. Handbook of Petrochemical Production Processes, McGraw-Hill. [1st ed.]."},{"key":"ref_6","unstructured":"Kindler, K., and Puhl, H. (2002). Method for Separating a C4 Hydrocarbon Mixture. (6,337,429B1), U.S. Patent."},{"key":"ref_7","unstructured":"Clark, J.H., and Kraus, G. (2009). Renewable Solvents. Alternative Solvents for Green Chemistry, Royal Society of Chemistry. [1st ed.]. RSC Green Chemistry Series."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"2008","DOI":"10.1016\/j.chempr.2018.08.036","article-title":"Reaction: Exploring the chemistry frontier in water-borne vessels","volume":"4","author":"Warner","year":"2008","journal-title":"Chem"},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1016\/S1385-8947(01)00252-2","article-title":"Process improvement on separating C4 by extractive distillation","volume":"85","author":"Lei","year":"2002","journal-title":"Chem. Eng. J."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"901","DOI":"10.1016\/S1570-7946(06)80160-4","article-title":"Simulation and optimization in 1,3-butadiene process from C4-CUT using genetic algorithm","volume":"21","author":"Jalali","year":"2006","journal-title":"Comput.-Aided Chem. Eng."},{"key":"ref_11","unstructured":"Gomes, J., Silva, R., Nunes, C., and Barbosa, D. (2025). Towards Sustainable Industrial Processes: A Preselection Method for Screening Green Solvents in 1,3-Butadiene Extractive Distillation Process. Sustainability, Submitted."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"834","DOI":"10.2174\/1570179413999160211094705","article-title":"Propylene carbonate inorganic synthesis: Exploring its potential as a green solvent","volume":"13","author":"Junior","year":"2016","journal-title":"Curr. Org. Synth."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1186\/s40508-016-0051-z","article-title":"Tools and techniques for solvent selection: Green solvent selection guides","volume":"4","author":"Byrne","year":"2016","journal-title":"Sustain. Chem. Process."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"101355","DOI":"10.1016\/j.scp.2023.101355","article-title":"Propylene carbonate as an ecofriendly solvent: Stability studies of Ripretinib in RP-HPLC and sustainable evaluation using advanced tools","volume":"37","author":"Fayaz","year":"2024","journal-title":"Sustain. Chem. Pharm."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"227","DOI":"10.1016\/j.ijrefrig.2019.02.017","article-title":"Reconsideration of the Alpha Coefficient in NRTL Model on the Vapor-Liquid Phase Equilibrium Description of Refrigerant Mixtures","volume":"100","author":"Zhao","year":"2019","journal-title":"Int. J. Refrig."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"2224","DOI":"10.1021\/j100007a062","article-title":"Conductor-like screening model for real solvents: A new approach to the quantitative calculation of solvation phenomena","volume":"99","author":"Klamt","year":"1995","journal-title":"J. Phys. Chem."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/S0378-3812(00)00357-5","article-title":"COSMO-RS: A novel and efficient method for the a priori prediction of thermophysical data of liquids","volume":"172","author":"Klamt","year":"2000","journal-title":"Fluid Phase Equilib."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"5074","DOI":"10.1021\/jp980017s","article-title":"Refinement and parametrization of COSMO-RS","volume":"102","author":"Klamt","year":"1998","journal-title":"J. Phys. Chem. A."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"15954","DOI":"10.1021\/acs.iecr.8b04870","article-title":"A united chemical thermodynamic model: COSMO-UNIFAC","volume":"57","author":"Dong","year":"2018","journal-title":"Ind. Eng. Chem. Res."},{"key":"ref_20","first-page":"211","article-title":"Modified NRTL Equation in Predicting Liquid\u2013Liquid Equilibria","volume":"17","year":"2014","journal-title":"Al-Nahrain Univ. Coll. Eng. J."}],"container-title":["Sustainability"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2071-1050\/17\/7\/3124\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,9]],"date-time":"2025-10-09T17:07:59Z","timestamp":1760029679000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2071-1050\/17\/7\/3124"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,4,1]]},"references-count":20,"journal-issue":{"issue":"7","published-online":{"date-parts":[[2025,4]]}},"alternative-id":["su17073124"],"URL":"https:\/\/doi.org\/10.3390\/su17073124","relation":{},"ISSN":["2071-1050"],"issn-type":[{"type":"electronic","value":"2071-1050"}],"subject":[],"published":{"date-parts":[[2025,4,1]]}}}