Experimental and Theoretical Investigation of Supercritical Processes: Kinetics of Phase Transitions in Binary “2-Propanol—CO<sub>2</sub>” System

Studies of phase transition kinetics are important for such supercritical processes as supercritical drying, adsorption, micronization, etc. In supercritical technologies, “organic solvent—CO<sub>2</sub>” systems are often formed, the properties of which strongly depend on the system par...

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Main Authors: Ekaterina Suslova, Maria Mochalova, Artem Lebedev
Format: Article
Language:English
Published: MDPI AG 2023-06-01
Series:Computation
Subjects:
Online Access:https://www.mdpi.com/2079-3197/11/7/122
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author Ekaterina Suslova
Maria Mochalova
Artem Lebedev
author_facet Ekaterina Suslova
Maria Mochalova
Artem Lebedev
author_sort Ekaterina Suslova
collection DOAJ
description Studies of phase transition kinetics are important for such supercritical processes as supercritical drying, adsorption, micronization, etc. In supercritical technologies, “organic solvent—CO<sub>2</sub>” systems are often formed, the properties of which strongly depend on the system parameters. In this article, the kinetic curves of phase transitions in the “2-propanol—CO<sub>2</sub>” system were investigated experimentally and theoretically. Experimental studies were carried out in a 250 mL high-pressure apparatus at temperatures of 313 and 333 K and pressures of 6.3 and 7.8 MPa with and without the addition of alginate porous gel. Theoretical studies were carried out using the mass transfer equation, the Peng-Robinson equation of state, and the Van der Waals mixing rules, with Python being used for the calculations. The mass transfer coefficients and equilibrium concentrations of CO<sub>2</sub> in the liquid phase were determined using the BFGS optimization method.
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spelling doaj.art-2e8f68b23c984f098c2f0147e53915d02023-11-18T18:51:57ZengMDPI AGComputation2079-31972023-06-0111712210.3390/computation11070122Experimental and Theoretical Investigation of Supercritical Processes: Kinetics of Phase Transitions in Binary “2-Propanol—CO<sub>2</sub>” SystemEkaterina Suslova0Maria Mochalova1Artem Lebedev2Department of Chemical and Pharmaceutical Engineering, D. I. Mendeleev University of Chemical Technology of Russia, 125047 Moscow, RussiaDepartment of Chemical and Pharmaceutical Engineering, D. I. Mendeleev University of Chemical Technology of Russia, 125047 Moscow, RussiaDepartment of Chemical and Pharmaceutical Engineering, D. I. Mendeleev University of Chemical Technology of Russia, 125047 Moscow, RussiaStudies of phase transition kinetics are important for such supercritical processes as supercritical drying, adsorption, micronization, etc. In supercritical technologies, “organic solvent—CO<sub>2</sub>” systems are often formed, the properties of which strongly depend on the system parameters. In this article, the kinetic curves of phase transitions in the “2-propanol—CO<sub>2</sub>” system were investigated experimentally and theoretically. Experimental studies were carried out in a 250 mL high-pressure apparatus at temperatures of 313 and 333 K and pressures of 6.3 and 7.8 MPa with and without the addition of alginate porous gel. Theoretical studies were carried out using the mass transfer equation, the Peng-Robinson equation of state, and the Van der Waals mixing rules, with Python being used for the calculations. The mass transfer coefficients and equilibrium concentrations of CO<sub>2</sub> in the liquid phase were determined using the BFGS optimization method.https://www.mdpi.com/2079-3197/11/7/122supercritical technologykinetics of phase transitions“2-propanol—CO<sub>2</sub>” systemmass transfer coefficient
spellingShingle Ekaterina Suslova
Maria Mochalova
Artem Lebedev
Experimental and Theoretical Investigation of Supercritical Processes: Kinetics of Phase Transitions in Binary “2-Propanol—CO<sub>2</sub>” System
Computation
supercritical technology
kinetics of phase transitions
“2-propanol—CO<sub>2</sub>” system
mass transfer coefficient
title Experimental and Theoretical Investigation of Supercritical Processes: Kinetics of Phase Transitions in Binary “2-Propanol—CO<sub>2</sub>” System
title_full Experimental and Theoretical Investigation of Supercritical Processes: Kinetics of Phase Transitions in Binary “2-Propanol—CO<sub>2</sub>” System
title_fullStr Experimental and Theoretical Investigation of Supercritical Processes: Kinetics of Phase Transitions in Binary “2-Propanol—CO<sub>2</sub>” System
title_full_unstemmed Experimental and Theoretical Investigation of Supercritical Processes: Kinetics of Phase Transitions in Binary “2-Propanol—CO<sub>2</sub>” System
title_short Experimental and Theoretical Investigation of Supercritical Processes: Kinetics of Phase Transitions in Binary “2-Propanol—CO<sub>2</sub>” System
title_sort experimental and theoretical investigation of supercritical processes kinetics of phase transitions in binary 2 propanol co sub 2 sub system
topic supercritical technology
kinetics of phase transitions
“2-propanol—CO<sub>2</sub>” system
mass transfer coefficient
url https://www.mdpi.com/2079-3197/11/7/122
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AT mariamochalova experimentalandtheoreticalinvestigationofsupercriticalprocesseskineticsofphasetransitionsinbinary2propanolcosub2subsystem
AT artemlebedev experimentalandtheoreticalinvestigationofsupercriticalprocesseskineticsofphasetransitionsinbinary2propanolcosub2subsystem