1. Experimental data and thermodynamic modeling of the CO2 + Acetone + Efavirenz system at high pressures.
- Author
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de Souza, Guilherme Botelho Meireles, de Araujo, Paulo Cardozo Carvalho, Rocha, Helvécio Vinícius Antunes, Favareto, Rogerio, Freire, Nian Vieira, Arce, Pedro Felipe, Ferreira-Pinto, Leandro, and Cardozo-Filho, Lucio
- Subjects
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EFAVIRENZ , *ACETONE , *DATA modeling , *CARBON dioxide , *EQUATIONS of state , *MOLE fraction , *SUPERCRITICAL fluids - Abstract
• Phase behavior experimental data of the {CO2 + Acetone + Efavirenz} System at High-Pressures. • The experimental data were modeled with the GC-VT-PR EoS and PC-SAFT equation of state. • Thermodynamic data are of great relevance for particle engineering in supercritical fluids. It is important to understand the fluid phase behavior of the systems containing CO 2 , acetone, and Efavirenz for processes that use supercritical fluids to produce micro and/or nanoparticles for drug encapsulation. Thus, the purpose of this work is to measure experimentally data on the phase transitions of CO 2 + Efavirenz and CO 2 + acetone + Efavirenz systems using the visual static synthetic method and a variable-volume cell integrated into the experimental equipment. The experimental settings for the binary system were: pressures up to 16 MPa, temperatures of 333.15, 338.15, and 343.15 K, and the global Efavirenz mole fraction from 4 × 10−5 up to 15 × 10−5. The experimental settings for the ternary system were: pressure up to 10 MPa, temperatures from 303.15 to 333.15 K, and the global CO 2 mole fraction from 0.2 up to 0.9. For the binary systems, the observed phase transitions are solid–fluid transitions; for the ternary systems, the observed phase transitions are bubble point (BP) transitions. Thermodynamic simulations using the Group Contribution Volume-Translated Peng-Robinson (GC-VT-PR) and Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT) equations of state (EoS) demonstrated a striking correlation with experimental data. The relative deviations from pressure and temperature corroborate the efficiency of the thermodynamic models used in this work. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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