UNIFAC and Wilson models to correlate solubility of pharmaceutical compounds in supercritical carbon dioxide

被引:1
|
作者
Ramalingam, Vikram [1 ]
Garlapati, Chandrasekhar [1 ]
机构
[1] Puducherry Technol Univ, Dept Chem Engn, Pondicherry 605014, India
关键词
Pharmaceutical compounds; Supercritical carbon dioxide; Universal quasi-chemical functional group ac-; tivity coefficient-based model; Wilson-based Model; VAPOR-LIQUID-EQUILIBRIA; ANTIINFLAMMATORY DRUGS; MELTING-POINTS; REVISION; ACID; 5-FLUOROURACIL; SOLIDS; CO2;
D O I
10.1016/j.fluid.2024.114191
中图分类号
O414.1 [热力学];
学科分类号
摘要
New thermodynamic correlations were proposed for the solubility of pharmaceutical compounds in supercritical carbon dioxide based on the solid-liquid equilibrium model. The activity coefficient models proposed in the study were based on Universal quasi-chemical Functional Group Activity Coefficient and Wilson models. The pharmaceutical drug compounds used in this study belong to anticancer, antibiotics, anti-androgenic, non-steroidal anti-inflammatory drugs, anti-prostatic tumour drugs and antiemetic drugs. The correlating ability of the proposed models was discussed in terms of various statistical parameters. Further, the proposed model results were compared with six existing solid-fluid equilibrium model results. It was found that the newly proposed models were more promising than those of existing solid-fluid equilibrium models. The correlating ability of the proposed models was discussed in terms of various statistical parameters.
引用
收藏
页数:17
相关论文
共 50 条
  • [1] Solubility of pharmaceutical compounds in supercritical carbon dioxide
    De Zordi, N.
    Kikic, I.
    Moneghini, M.
    Solinas, D.
    JOURNAL OF SUPERCRITICAL FLUIDS, 2012, 66 : 16 - 22
  • [2] Dimensionless Empirical Model to Correlate Pharmaceutical Compound Solubility in Supercritical Carbon Dioxide
    Reddy, Tippana Ashok
    Garlapati, Chandrasekhar
    CHEMICAL ENGINEERING & TECHNOLOGY, 2019, 42 (12) : 2621 - 2630
  • [3] New Thermodynamic Models to Correlate Solubility of Drugs in Supercritical Carbon Dioxide
    Hameed, Sahul
    Alwi, Ratna Surya
    Garlapati, Chandrasekhar
    Satya, Ika Atman
    IRANIAN JOURNAL OF CHEMISTRY & CHEMICAL ENGINEERING-INTERNATIONAL ENGLISH EDITION, 2024, 43 (01): : 335 - 351
  • [4] A comparison between semiempirical equations to predict the solubility of pharmaceutical compounds in supercritical carbon dioxide
    Tabernero, Antonio
    Martin del Valle, Eva M.
    Galan, Miguel A.
    JOURNAL OF SUPERCRITICAL FLUIDS, 2010, 52 (02): : 161 - 174
  • [5] Determination and correlation of solubility of pharmaceutical products in supercritical carbon dioxide
    Alessi, P
    Cortesi, A
    Kikic, I
    Foster, R
    CHEMICAL AND BIOCHEMICAL ENGINEERING QUARTERLY, 1997, 11 (01) : 19 - 23
  • [6] Correlation for the solubilities of pharmaceutical compounds in supercritical carbon dioxide
    Su, Chie-Shaan
    Chen, Yan-Ping
    FLUID PHASE EQUILIBRIA, 2007, 254 (1-2) : 167 - 173
  • [7] Solubility Prediction of Active Pharmaceutical Compounds with the UNIFAC Model
    Nouar, Abderrahim
    Benmessaoud, Ibtissem
    Koutchoukali, Ouahiba
    Koutchoukali, Mohamed Salah
    INTERNATIONAL JOURNAL OF THERMOPHYSICS, 2016, 37 (03) : 1 - 15
  • [8] Solubility Prediction of Active Pharmaceutical Compounds with the UNIFAC Model
    Abderrahim Nouar
    Ibtissem Benmessaoud
    Ouahiba Koutchoukali
    Mohamed Salah Koutchoukali
    International Journal of Thermophysics, 2016, 37
  • [9] A combined model for the solubility of different compounds in supercritical carbon dioxide
    Bian, Xiao-Qiang
    Li, Jing
    Chen, Jing
    Li, Ming-Jun
    Du, Zhi-Min
    CHEMICAL ENGINEERING RESEARCH & DESIGN, 2015, 104 : 416 - 428
  • [10] A new model for the solubility of dye compounds in supercritical carbon dioxide
    Sridar, Ramachandran
    Bhowal, Avijit
    Garlapati, Chandrasekhar
    THERMOCHIMICA ACTA, 2013, 561 : 91 - 97