Phase equilibria of the system Isopropanol+Water+Isopropyl Myristate+Myristic acid

  • Isopropyl myristate (IMA) is a fatty ester widely used in cosmetic applications, and it is mainly produced by esterification of myristic acid (MA) and isopropanol (IPA), with water (W) as byproduct. Due to chemical equilibrium limitations, various process intensification approaches have been proposed to improve its production; however, they still involve significant uncertainties as they are based on theoretically predicted phase equilibria due to a lack of experimental-based models. Then, the presented study aimed to experimentally characterize the phase equilibrium behavior of mixtures containing IPA, W, IMA, and MA. Vapor-Liquid Equilibrium (VLE) experiments were conducted under isothermal conditions for the binary systems IMA+IPA and MA+IPA within the range of 55–80 °C. Also, Liquid-Liquid Equilibrium (LLE) data for the ternary systems IPA+W+IMA, IPA+W+MA, and W+IMA+MA were measured at temperatures ranging from 60 to 80 °C. Additionally, Solid-Liquid Equilibrium (SLE) data forIsopropyl myristate (IMA) is a fatty ester widely used in cosmetic applications, and it is mainly produced by esterification of myristic acid (MA) and isopropanol (IPA), with water (W) as byproduct. Due to chemical equilibrium limitations, various process intensification approaches have been proposed to improve its production; however, they still involve significant uncertainties as they are based on theoretically predicted phase equilibria due to a lack of experimental-based models. Then, the presented study aimed to experimentally characterize the phase equilibrium behavior of mixtures containing IPA, W, IMA, and MA. Vapor-Liquid Equilibrium (VLE) experiments were conducted under isothermal conditions for the binary systems IMA+IPA and MA+IPA within the range of 55–80 °C. Also, Liquid-Liquid Equilibrium (LLE) data for the ternary systems IPA+W+IMA, IPA+W+MA, and W+IMA+MA were measured at temperatures ranging from 60 to 80 °C. Additionally, Solid-Liquid Equilibrium (SLE) data for mixtures of IMA+MA were obtained at temperature in-between 8 and 50 °C, and pure thermal properties of IMA and MA were characterized via Differential Scanning Calorimetry (DSC) and Thermogravimetric analysis (TGA). Using the collected VLE, LLE and SLE experimental data, binary interaction parameters for NRTL model were fitted through optimization. Conflicting requirements in VLE and LLE data were addressed through Pareto front analysis, yielding two new parameters sets: one for predominant VLE description and the other for more accurate LLE representation. These sets of parameters would be suitable for the conceptual design and simulation of sequential and/or simultaneous reaction-separation processes to produce IMA via esterification.zeige mehrzeige weniger

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Autor*innen:Hernán D. MuñozORCiD, Nicolás Peña, María Fernanda Gutiérrez SanchezORCiD, Jens-Uwe Repke, Alvaro OrjuelaORCiD
Dokumenttyp:Zeitschriftenartikel
Veröffentlichungsform:Verlagsliteratur
Sprache:Englisch
Titel des übergeordneten Werkes (Englisch):Fluid Phase Equilibria
Jahr der Erstveröffentlichung:2025
Organisationseinheit der BAM:2 Prozess- und Anlagensicherheit
2 Prozess- und Anlagensicherheit / 2.2 Prozesssimulation
Verlag:Elsevier B.V.
Jahrgang/Band:598
Aufsatznummer:114473
Erste Seite:1
Letzte Seite:16
DDC-Klassifikation:Technik, Medizin, angewandte Wissenschaften / Chemische Verfahrenstechnik / Chemische Verfahrenstechnik
Freie Schlagwörter:Isopropyl Myristate; NRTL; Phase equilibria; Reactive distillation; Thermal properties
Themenfelder/Aktivitätsfelder der BAM:Chemie und Prozesstechnik
Chemie und Prozesstechnik / Anlagensicherheit und Prozesssimulation
DOI:10.1016/j.fluid.2025.114473
ISSN:0378-3812
Verfügbarkeit des Dokuments:Datei im Netzwerk der BAM verfügbar ("Closed Access")
Datum der Freischaltung:12.01.2026
Referierte Publikation:Nein
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