Work

Phase Equilibrium Measurements and Thermodynamic Modeling of CO2 + Diethyl Carbonate and CO2 + Diethyl Carbonate + Ethanol Systems

Year: 2025

Type: article

Abstract: High Resolution Image Download MS PowerPoint Slide This study presents new vapor–liquid equilibrium measurements and thermodynamic modeling for the binary system CO 2 + diethyl carbonate (DEC) and the ternary system CO 2 + DEC + ethanol. DEC is a promising biobased compound, applicable as a fuel additive and chemical intermediate. Its sustainable production through CO 2 -ethanol carbonylation has garnered interest under carbon capture and utilization frameworks. Using a high-pressure visual synthetic method, we measured phase transitions over a range of 30–80 °C and CO 2 mole fractions from 0.50 to 0.90. The data were modeled using the Peng–Robinson equation of state with a van der Waals quadratic mixing rule (vdW2), showing excellent agreement (average absolute deviations ≤2.1 bar for binaries and ≤4.7 bar for ternaries). This contribution delivers a consistent data set for the ternary CO 2 + DEC + ethanol system, aiding thermodynamic modeling and contributing to the development of clean technologies in the biofuels and sustainable chemical sectors.

Source: Journal of Chemical & Engineering Data

DOI: 10.1021/acs.jced.5c00428

Authors: Felipe P. Hardt, Paulo B. Cleto, Gabriela C. de Godoi, Luís R. S. Kanda, Alexandre F. Santos, Marcos L. Corazza

Institution: Universidade Federal do Paraná

Language: English

Topic: Phase Equilibria and Thermodynamics

Subfield: Biomedical Engineering

Field: Engineering

Domain: Physical Sciences

SDGs: Climate action, Affordable and clean energy

Open Access status: hybrid

Estimated APC paid: $4,500