Dataset to &quot;The Effect of Sulfate Electrolytes on the Liquid-Liquid Equilibrium of 2‑MTHF/Water/5-HMF: Experimental Study and Thermodynamic Modeling&quot;

Roth, Daniel Matthias; Kaminski, Sebastian; Viell, Jörn; Echtermeyer, Alexander Walter Wilhelm; Haas, Moritz; Jupke, Andreas

doi:10.18154/RWTH-2024-01176

Dataset to "The Effect of Sulfate Electrolytes on the Liquid-Liquid Equilibrium of 2‑MTHF/Water/5-HMF: Experimental Study and Thermodynamic Modeling"

Roth, Daniel Matthias (Corresponding author)^RWTH* ; Haas, Moritz^RWTH* ; Echtermeyer, Alexander Walter Wilhelm^RWTH* ; Kaminski, Sebastian^RWTH* ; Viell, Jörn^RWTH* ; Jupke, Andreas (Corresponding author)^RWTH*

2024

Online
DOI: 10.18154/RWTH-2024-01176
URL: http://publications.rwth-aachen.de/record/978265/files/Data_RWTH-2024-01176.zip

Einrichtungen

Projekte

Inhaltliche Beschreibung (Schlagwörter)
Biorefinery (frei) ; Acid (frei) ; 2-Methyltetrahydrofuran (frei) ; 5-Hydroxymethylfurfural (frei) ; Indirect Hard Modeling (frei) ; Infrared spectroscopy (frei) ; Dissociation (frei) ; Salt (frei) ; ePC-SAFT (frei) ; Liquid-liquid equilibrium (frei) ; Multiphase reaction system (frei)

Kurzfassung
The presented experimental data are associated with the investigations and results published in the following article: “The Effect of Sulfate Electrolytes on the Liquid-Liquid Equilibrium of 2-MTHF/Water/5-HMF: Experimental Study and Thermodynamic Modeling. Daniel Matthias Roth, Moritz Haas, Alexander Echtermeyer, Sebastian Kaminski, Jörn Viell, and Andreas Jupke, Journal of Chemical & Engineering Data, 2023, 68(6), 1397–1410, DOI: 10.1021/acs.jced.2c00698.” We investigate the influence of sulfate salts and sulfuric acid on the equilibrium behavior of 2-methyltetrahydrofuran (2-MTHF)/H2O/5-hydroxymethylfurfural (5-HMF). Liquid–liquid equilibrium measurements are performed at atmospheric pressure and in a temperature range of T = (293–333) K. The compositions of the aqueous and organic phases, together with the dissociation state of the sulfate species, are determined with infrared spectroscopy and Indirect Hard Modeling. The data set comprises mid infrared (MIR) spectra in original file format as acquired by the employed spectrometer with the associated composition data from sample preparation that is used for calibration of the chemometric models based on Indirect Hard Modeling for the organic and aqueous phases. Moreover, MIR spectra for the equilibrium experiments are provided at the respective temperature with initial sample composition and phase composition analyzed with the calibrated chemometric models.

OpenAccess:
ZIP
(additional files)