Artigo de periodico

Experimental data and thermodynamic modeling of the CO2 + Acetone + Efavirenz system at high pressures (2022)

• Authors:
  • Souza, Guilherme Botelho Meireles de
  • Araújo, Paulo Cardozo Carvalho de
  • Rocha, Helvécio Vinícius Antunes
  • Favareto, Rogério
  • Freire, Nian Vieira
  • Castillo, Pedro Felipe Arce
  • Pinto, Leandro Ferreira
  • Cardozo-Filho, Lúcio
• USP affiliated authors: CASTILLO, PEDRO FELIPE ARCE - EEL ; FREIRE, NIAN VIEIRA - EEL
• Unidade: EEL
• DOI: 10.1016/j.jct.2022.106924
• Assunto: ENGENHARIA QUÍMICA
• Keywords: Efavirenz; Acetone; Fluid Phase equilibrium; supercritical CO2
• Agências de fomento:
  • Financiamento CAPES
  • Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
    Processo FAPESP: 2018/23063-1,2015/05155-8and2018/03739-0
  • Financiamento CNPq
• Language: Inglês
• Abstract: It is important to understand the fluid phase behavior of the systems containing CO2, 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 CO2 + Efavirenz and CO2 + 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 CO2 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.
• Imprenta:
  • Publisher: Elsevier
  • Date published: 2022
• Source:
  • Título: Journal of chemical thermodynamics
  • ISSN: 00219614
  • Volume/Número/Paginação/Ano: v., n. , p.106924-, 2022

Informações sobre o DOI: 10.1016/j.jct.2022.106924 (Fonte: oaDOI API)
• Este periódico é de acesso aberto
• Este artigo NÃO é de acesso aberto
  

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• ABNT

  SOUZA, Guilherme Botelho Meireles de et al. Experimental data and thermodynamic modeling of the CO2 + Acetone + Efavirenz system at high pressures. Journal of chemical thermodynamics, n. , p. 106924-, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.jct.2022.106924. Acesso em: 14 fev. 2026.

• APA

  Souza, G. B. M. de, Araújo, P. C. C. de, Rocha, H. V. A., Favareto, R., Freire, N. V., Castillo, P. F. A., et al. (2022). Experimental data and thermodynamic modeling of the CO2 + Acetone + Efavirenz system at high pressures. Journal of chemical thermodynamics, ( ), 106924-. doi:10.1016/j.jct.2022.106924

• NLM

  Souza GBM de, Araújo PCC de, Rocha HVA, Favareto R, Freire NV, Castillo PFA, Pinto LF, Cardozo-Filho L. Experimental data and thermodynamic modeling of the CO2 + Acetone + Efavirenz system at high pressures [Internet]. Journal of chemical thermodynamics. 2022 ;( ): 106924-.[citado 2026 fev. 14 ] Available from: https://doi.org/10.1016/j.jct.2022.106924

• Vancouver

  Souza GBM de, Araújo PCC de, Rocha HVA, Favareto R, Freire NV, Castillo PFA, Pinto LF, Cardozo-Filho L. Experimental data and thermodynamic modeling of the CO2 + Acetone + Efavirenz system at high pressures [Internet]. Journal of chemical thermodynamics. 2022 ;( ): 106924-.[citado 2026 fev. 14 ] Available from: https://doi.org/10.1016/j.jct.2022.106924

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