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Prediction of Solubility of Sodium Valproate in Supercritical Carbon Dioxide: Experimental Study and Thermodynamic Modeling
Journal of Chemical & Engineering Data ( IF 2.6 ) Pub Date : 2020-03-09 , DOI: 10.1021/acs.jced.9b01069
Gholamhossein Sodeifian 1, 2, 3 , Nedasadat Saadati Ardestani 1, 2, 3 , Seyed Ali Sajadian 1, 2, 3 , Mohammad Reza Golmohammadi 4 , Alireza Fazlali 4
Affiliation  

The key factor for designing of micro- and nanosized particles production processes is determination of a solid solute solubility. In the current investigation, for the first time, the solubility of sodium valproate in supercritical CO2 was investigated. Solubility investigations were conducted at different temperatures (308.15–338.15 K) and pressure values (12–27 MPa). Sodium valproate provided mole fraction solubility values of 0.05 × 10–5 to 3.71 × 10–5 within the experimental range studied. For the studied system, data correlation has been examined by equations of state (EoSs) including Soave–Redlich–Kwong (SRK), Peng–Robinson (PR), and Estevez models as well as SAFT-VR and four semi-empirical models (Kumar and Johnston, Méndez-Santiago and Teja, Jouyban et al., Sodeifian et al., Bartle et al., Chrastil’s models and Reddy and Garlapati models). Statistical criteria (AARD, Radj, and F-value) were used to appraise their precision. The analysis of variance (ANOVA) also indicated the superior performance of the PR, SRK, Estevez, and SAFT-VR EoSs. Furthermore, density-based models generally exhibited excellent agreement with the experimental data.

中文翻译:

丙戊酸钠在超临界二氧化碳中的溶解度预测:实验研究和热力学模型

设计微米和纳米尺寸颗粒生产工艺的关键因素是确定固体溶质的溶解度。在当前的研究中,首次研究了丙戊酸钠在超临界CO 2中的溶解度。在不同温度(308.15–338.15 K)和压力值(12–27 MPa)下进行了溶解度研究。在研究的实验范围内,丙戊酸钠的摩尔分数溶解度值为0.05×10 –5至3.71×10 –5。对于研究的系统,数据相关性已通过状态方程(EoSs)进行了检验,包括Soave–Redlich–Kwong(SRK),Peng–Robinson(PR)和Estevez模型以及SAFT-VR和四个半经验模型( Kumar和Johnston,Méndez-Santiago和Teja,Jouyban等。,Sodeifian等。,Bartle等。,Chrastil的模型以及Reddy和Garlapati的模型)。统计标准(AARD,R adjF值)用于评估其精度。方差分析(ANOVA)也表明PR,SRK,Estevez和SAFT-VR EoS的出色性能。此外,基于密度的模型通常表现出与实验数据极好的一致性。
更新日期:2020-04-24
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