Thermodynamic and spectroscopic study of binary mixtures containing {dimethyl carbonate (DMC) + alcohols} at T = (288.15–308.15) K and p = (0.1–40) MPa: Experimental study and modelling
- 1. Departamento de Engenharia Química, Centro Universitário FEI, 09850-901 São Bernardo do Campo, SP (Brazil)
Description
Highlights: • Binary mixtures of {Dimethyl carbonate (DMC) + Alcohols} mixtures. • Volumetric and spectroscopic properties were determined. • Application of the ERAS Model and PFP Theory. • Temperature range was T = (288.15–308.15) K. • Pressure range was p = (0.1–40) MPa. -- Abstract: The current paper presents experimental measurements of density, , for binary liquid mixtures containing {dimethyl carbonate (DMC) + methanol, or + ethanol, or + 1-propanol)} over the whole composition range, over the temperature range from T = (288.15–308.15) K and pressure up to 40 MPa. The results were used to calculate the excess molar volumes which were correlated with a Redlich-Kister type polynomial equation. Other derived volumetric properties such as partial molar volumes and apparent molar volumes (Vϕi), isothermal compressibilities (κ), thermal expansion coefficients (α) and internal pressures (π) were also calculated. The values were used to test the applicability of the Prigogine-Flory-Patterson Theory (PFP Theory) and the Extended Real Associated Solution Model (ERAS Model). In order to complement the thermodynamic study and attempt to elucidate the main structural and interactional phenomena present in the systems studied, spectroscopic properties (FT-IR, 1H NMR and 13C NMR) have been investigated. The results suggest that for the {DMC + methanol} system, structural and chemical effects should be predominant over the physical effects, while physical interactions must prevail in the systems containing ethanol and 1-propanol.
Additional details
Identifiers
- DOI
- 10.1016/j.jct.2019.02.011;
- PII
- S0021961418310358;
Publishing Information
- Journal Title
- Journal of Chemical Thermodynamics
- Journal Volume
- 133
- Journal Page Range
- p. 229-260
- ISSN
- 0021-9614
- CODEN
- JCTDAF
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 55103051
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- APPARENT MOLAL VOLUME; BINARY MIXTURES; CARBONIC ACID ESTERS; COMPRESSIBILITY; ETHANOL; FOURIER TRANSFORM SPECTROMETERS; INFRARED SPECTRA; INTERACTIONS; LIQUIDS; NUCLEAR MAGNETIC RESONANCE; POLYNOMIALS; SIMULATION; SOLUTIONS; SPECTROSCOPY; TEMPERATURE RANGE; THERMAL EXPANSION; THERMODYNAMICS
- Descriptors DEC
- ALCOHOLS; DISPERSIONS; ESTERS; EXPANSION; FLUIDS; FUNCTIONS; HOMOGENEOUS MIXTURES; HYDROXY COMPOUNDS; MAGNETIC RESONANCE; MEASURING INSTRUMENTS; MECHANICAL PROPERTIES; MIXTURES; ORGANIC COMPOUNDS; RESONANCE; SPECTRA; SPECTROMETERS
Optional Information
- Copyright
- Copyright (c) 2019 Elsevier Ltd.