William Graf von Westarp, Janik Hense, Moritz Haas, Andreas Jupke
{"title":"用萜类溶剂从水中分离2,3-丁二醇:相平衡和工艺评价","authors":"William Graf von Westarp, Janik Hense, Moritz Haas, Andreas Jupke","doi":"10.1016/j.fluid.2025.114572","DOIUrl":null,"url":null,"abstract":"<div><div>2,3-butanediol (2,3-BDO) is a versatile platform chemical that can be produced via fermentation in aqueous solution. The energy intensive recovery of the high boiling 2,3-BDO from water via distillation hinders the economic viability of biotechnological produced 2,3-BDO. Hence, extraction-distillation processes using novel solvents from the class of terpenoids, namely menthol, thymol, and carvacrol, are proposed. To this end, binary and ternary liquid-liquid equilibrium (LLE) data for H<sub>2</sub>O, 2,3-BDO, and each terpenoid, as well as boiling point data for 2,3-BDO and the respective terpenoid, are measured. The thermodynamic phase equilibria are correlated with the non-random two liquid (NRTL) model and consecutive process design of the extraction-distillation processes is conducted using Aspen Plus. Conventional solvents (isobutanol, 1-butanol, and oleylalcohol), thymol, and carvacrol are assessed in terms of specific exergy demand for the production of 2,3-BDO. The lowest specific exergy demands were found for oleyl alcohol (5.38 kJ g<sup>−1</sup>) and thymol (5.14 kJ g<sup>−1</sup>), carvacrol (5.49 kJ g<sup>−1</sup>). Hence, terpenoids are a competitive class of solvents and should be included in solvent screening approaches.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"600 ","pages":"Article 114572"},"PeriodicalIF":2.7000,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Terpenoids as solvents for the separation of 2,3-butanediol from water: Phase equilibria and process evaluation\",\"authors\":\"William Graf von Westarp, Janik Hense, Moritz Haas, Andreas Jupke\",\"doi\":\"10.1016/j.fluid.2025.114572\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>2,3-butanediol (2,3-BDO) is a versatile platform chemical that can be produced via fermentation in aqueous solution. The energy intensive recovery of the high boiling 2,3-BDO from water via distillation hinders the economic viability of biotechnological produced 2,3-BDO. Hence, extraction-distillation processes using novel solvents from the class of terpenoids, namely menthol, thymol, and carvacrol, are proposed. To this end, binary and ternary liquid-liquid equilibrium (LLE) data for H<sub>2</sub>O, 2,3-BDO, and each terpenoid, as well as boiling point data for 2,3-BDO and the respective terpenoid, are measured. The thermodynamic phase equilibria are correlated with the non-random two liquid (NRTL) model and consecutive process design of the extraction-distillation processes is conducted using Aspen Plus. Conventional solvents (isobutanol, 1-butanol, and oleylalcohol), thymol, and carvacrol are assessed in terms of specific exergy demand for the production of 2,3-BDO. The lowest specific exergy demands were found for oleyl alcohol (5.38 kJ g<sup>−1</sup>) and thymol (5.14 kJ g<sup>−1</sup>), carvacrol (5.49 kJ g<sup>−1</sup>). Hence, terpenoids are a competitive class of solvents and should be included in solvent screening approaches.</div></div>\",\"PeriodicalId\":12170,\"journal\":{\"name\":\"Fluid Phase Equilibria\",\"volume\":\"600 \",\"pages\":\"Article 114572\"},\"PeriodicalIF\":2.7000,\"publicationDate\":\"2025-08-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Fluid Phase Equilibria\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0378381225002420\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Fluid Phase Equilibria","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0378381225002420","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Terpenoids as solvents for the separation of 2,3-butanediol from water: Phase equilibria and process evaluation
2,3-butanediol (2,3-BDO) is a versatile platform chemical that can be produced via fermentation in aqueous solution. The energy intensive recovery of the high boiling 2,3-BDO from water via distillation hinders the economic viability of biotechnological produced 2,3-BDO. Hence, extraction-distillation processes using novel solvents from the class of terpenoids, namely menthol, thymol, and carvacrol, are proposed. To this end, binary and ternary liquid-liquid equilibrium (LLE) data for H2O, 2,3-BDO, and each terpenoid, as well as boiling point data for 2,3-BDO and the respective terpenoid, are measured. The thermodynamic phase equilibria are correlated with the non-random two liquid (NRTL) model and consecutive process design of the extraction-distillation processes is conducted using Aspen Plus. Conventional solvents (isobutanol, 1-butanol, and oleylalcohol), thymol, and carvacrol are assessed in terms of specific exergy demand for the production of 2,3-BDO. The lowest specific exergy demands were found for oleyl alcohol (5.38 kJ g−1) and thymol (5.14 kJ g−1), carvacrol (5.49 kJ g−1). Hence, terpenoids are a competitive class of solvents and should be included in solvent screening approaches.
期刊介绍:
Fluid Phase Equilibria publishes high-quality papers dealing with experimental, theoretical, and applied research related to equilibrium and transport properties of fluids, solids, and interfaces. Subjects of interest include physical/phase and chemical equilibria; equilibrium and nonequilibrium thermophysical properties; fundamental thermodynamic relations; and stability. The systems central to the journal include pure substances and mixtures of organic and inorganic materials, including polymers, biochemicals, and surfactants with sufficient characterization of composition and purity for the results to be reproduced. Alloys are of interest only when thermodynamic studies are included, purely material studies will not be considered. In all cases, authors are expected to provide physical or chemical interpretations of the results.
Experimental research can include measurements under all conditions of temperature, pressure, and composition, including critical and supercritical. Measurements are to be associated with systems and conditions of fundamental or applied interest, and may not be only a collection of routine data, such as physical property or solubility measurements at limited pressures and temperatures close to ambient, or surfactant studies focussed strictly on micellisation or micelle structure. Papers reporting common data must be accompanied by new physical insights and/or contemporary or new theory or techniques.