Niclosamide piperazine solubility in supercritical CO2 green solvent: A comprehensive experimental and modeling investigation

In order to micro and Nano sizing a drug via supercritical fluid technology, it is necessary to obtain its solubility in various ranges of pressures and temperatures. For this purpose, solubility of Niclosamide piperazine, in supercritical carbon dioxide (SC-CO2) was measured by a new static method,...

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Main Authors: Gholamhossein Sodeifian, Hamidreza Bagheri, Farnoush Masihpour, Negar Rajaei, Maryam Arbab Nooshabadi
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Journal of CO2 Utilization
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Online Access:http://www.sciencedirect.com/science/article/pii/S2212982024003305
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author Gholamhossein Sodeifian
Hamidreza Bagheri
Farnoush Masihpour
Negar Rajaei
Maryam Arbab Nooshabadi
author_facet Gholamhossein Sodeifian
Hamidreza Bagheri
Farnoush Masihpour
Negar Rajaei
Maryam Arbab Nooshabadi
author_sort Gholamhossein Sodeifian
collection DOAJ
description In order to micro and Nano sizing a drug via supercritical fluid technology, it is necessary to obtain its solubility in various ranges of pressures and temperatures. For this purpose, solubility of Niclosamide piperazine, in supercritical carbon dioxide (SC-CO2) was measured by a new static method, for the first time. The measurements were performed at various circumstances, i.e. temperatures = 308, 318, 328 and 338 K and pressures = 12–27 MPa. The obtained results indicate that pressure significantly influences the solubility of Niclosamide piperazine, with a measured solubility ranging from 0.77 × 10−7 to 13.60 × 10−7 in mole fraction. To study theoretically the solubility of Niclosamide piperazine, the obtained results are modeled using nine semi-empirical equations i.e. Garlapati-Madras, Chrastil, Kumar-Johnston, Sodeifian et al. (models I-II), Bartle et al., Bian et al., Sung-Shim, Mendez-Santiago-Teja and Peng-Robinson EoS with van der Waals mixing rule. Among which the Bian et al., model and Peng-Robinson EoS showed the minimum AARD% of about 4.45 % (corresponding corrected Akaike Information Criterion is −704.09) and 7.54 % (corresponding corrected Akaike Information Criterion is −699.24), respectively. Finally, enthalpies for the binary mixture of Niclosamide piperazine-supercritical carbon dioxide binary system has been determined, for the first time.
format Article
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institution Kabale University
issn 2212-9839
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publishDate 2025-01-01
publisher Elsevier
record_format Article
series Journal of CO2 Utilization
spelling doaj-art-55ee213f06c344f1b6338577fbbd19862025-01-13T04:18:49ZengElsevierJournal of CO2 Utilization2212-98392025-01-0191102995Niclosamide piperazine solubility in supercritical CO2 green solvent: A comprehensive experimental and modeling investigationGholamhossein Sodeifian0Hamidreza Bagheri1Farnoush Masihpour2Negar Rajaei3Maryam Arbab Nooshabadi4Department of Chemical Engineering, Faculty of Engineering, University of Kashan, Kashan 87317-53153, Iran; Laboratory of Supercritical Fluids and Nanotechnology, University of Kashan, Kashan 87317-53153, Iran; Modeling and Simulation Centre, Faculty of Engineering, University of Kashan, Kashan 87317-53153, Iran; Corresponding author at: Department of Chemical Engineering, Faculty of Engineering, University of Kashan, Kashan 87317-53153, Iran.Department of Chemical Engineering, Faculty of Engineering, Shahid Bahonar University of Kerman, Kerman 76188-68366, IranLaboratory of Supercritical Fluids and Nanotechnology, University of Kashan, Kashan 87317-53153, Iran; Modeling and Simulation Centre, Faculty of Engineering, University of Kashan, Kashan 87317-53153, IranLaboratory of Supercritical Fluids and Nanotechnology, University of Kashan, Kashan 87317-53153, Iran; Modeling and Simulation Centre, Faculty of Engineering, University of Kashan, Kashan 87317-53153, IranBolvar Ghotbe Ravandi, Kashan Branch, Islamic Azad University, Ostaadan Street, Kashan 87159-98151, IranIn order to micro and Nano sizing a drug via supercritical fluid technology, it is necessary to obtain its solubility in various ranges of pressures and temperatures. For this purpose, solubility of Niclosamide piperazine, in supercritical carbon dioxide (SC-CO2) was measured by a new static method, for the first time. The measurements were performed at various circumstances, i.e. temperatures = 308, 318, 328 and 338 K and pressures = 12–27 MPa. The obtained results indicate that pressure significantly influences the solubility of Niclosamide piperazine, with a measured solubility ranging from 0.77 × 10−7 to 13.60 × 10−7 in mole fraction. To study theoretically the solubility of Niclosamide piperazine, the obtained results are modeled using nine semi-empirical equations i.e. Garlapati-Madras, Chrastil, Kumar-Johnston, Sodeifian et al. (models I-II), Bartle et al., Bian et al., Sung-Shim, Mendez-Santiago-Teja and Peng-Robinson EoS with van der Waals mixing rule. Among which the Bian et al., model and Peng-Robinson EoS showed the minimum AARD% of about 4.45 % (corresponding corrected Akaike Information Criterion is −704.09) and 7.54 % (corresponding corrected Akaike Information Criterion is −699.24), respectively. Finally, enthalpies for the binary mixture of Niclosamide piperazine-supercritical carbon dioxide binary system has been determined, for the first time.http://www.sciencedirect.com/science/article/pii/S2212982024003305Niclosamide piperazineDrugVan der Waals mixing rulePeng-RobinsonSemi-empiricalSolubility
spellingShingle Gholamhossein Sodeifian
Hamidreza Bagheri
Farnoush Masihpour
Negar Rajaei
Maryam Arbab Nooshabadi
Niclosamide piperazine solubility in supercritical CO2 green solvent: A comprehensive experimental and modeling investigation
Journal of CO2 Utilization
Niclosamide piperazine
Drug
Van der Waals mixing rule
Peng-Robinson
Semi-empirical
Solubility
title Niclosamide piperazine solubility in supercritical CO2 green solvent: A comprehensive experimental and modeling investigation
title_full Niclosamide piperazine solubility in supercritical CO2 green solvent: A comprehensive experimental and modeling investigation
title_fullStr Niclosamide piperazine solubility in supercritical CO2 green solvent: A comprehensive experimental and modeling investigation
title_full_unstemmed Niclosamide piperazine solubility in supercritical CO2 green solvent: A comprehensive experimental and modeling investigation
title_short Niclosamide piperazine solubility in supercritical CO2 green solvent: A comprehensive experimental and modeling investigation
title_sort niclosamide piperazine solubility in supercritical co2 green solvent a comprehensive experimental and modeling investigation
topic Niclosamide piperazine
Drug
Van der Waals mixing rule
Peng-Robinson
Semi-empirical
Solubility
url http://www.sciencedirect.com/science/article/pii/S2212982024003305
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AT farnoushmasihpour niclosamidepiperazinesolubilityinsupercriticalco2greensolventacomprehensiveexperimentalandmodelinginvestigation
AT negarrajaei niclosamidepiperazinesolubilityinsupercriticalco2greensolventacomprehensiveexperimentalandmodelinginvestigation
AT maryamarbabnooshabadi niclosamidepiperazinesolubilityinsupercriticalco2greensolventacomprehensiveexperimentalandmodelinginvestigation