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Solubility and Nucleation of Methyl Stearate as a Function of Crystallization Environment
Energy & Fuels ( IF 5.2 ) Pub Date : 2018-02-20 00:00:00 , DOI: 10.1021/acs.energyfuels.7b03212
Diana M. Camacho 1 , Kevin J. Roberts 1 , Iain More 2 , Ken Lewtas 2
Affiliation  

Crystallization studies of methyl stearate from supersaturated dodecane, kerosene, and toluene solutions reveal strong evidence that solvent choice influences solubility and nucleation behavior. Solute solubility is less than ideal with toluene, kerosene, and dodecane, respectively, exhibiting the closest behavior to ideality, the latter consistent with the highest solvation. Polythermal crystallization studies using the Kashchiev–Borissova–Hammond–Roberts (KBHR) model [Kashchiev et al. J. Phys. Chem. B 2010, 114, 5441; Kashchiev et al. J. Cryst. Growth 2010, 312, 698; Camacho et al. CrystEngComm 2014, 16, 974] reveal a progressive nucleation (PN) mechanism with crystallite interfacial tension (γeff) values between 0.94 and 1.55 mJ/m2, between 1.21 and 1.91 mJ/m2, and between 1.18 and 1.88 mJ/m2 for dodecane, kerosene, and toluene, respectively. Nucleation rates at the critical undercooling lie between 4.56 × 1016 and 1.79 × 1017 nuclei/mL·s, with the highest rates associated with crystallization from kerosene solutions. Iso-supersaturation nucleation rates are the highest for dodecane ranging from 2.39 × 1017 to 3.63 × 1018 nuclei/mL·s. Nucleation in toluene appears to be hindered by its relatively higher interfacial tension, which is associated with nucleation rates about an order of magnitude less than those obtained for dodecane.

中文翻译:

硬脂酸甲酯的溶解度和成核度与结晶环境的关系

过饱和十二烷,煤油和甲苯溶液中硬脂酸甲酯的结晶研究表明,有力的证据表明溶剂的选择会影响溶解度和成核行为。甲苯,煤油和十二烷的溶质溶解度均不理想,表现出与理想状态最接近的行为,后者与最高溶剂化率一致。使用Kashchiev-Borissova-Hammond-Roberts(KBHR)模型的多热结晶研究[Kashchiev等。J.物理 化学 乙 2010114,5441; Kashchiev等。J.克里斯特 生长 2010312,698; 卡马乔等。CrystEngComm 2014年16[974]揭示了一种渐进形核(PN)机理,其微晶界面张力(γeff)值在0.94至1.55 mJ / m 2之间,在1.21至1.91 mJ / m 2之间以及十二烷在1.18至1.88 mJ / m 2之间,煤油和甲苯。临界过冷下的成核速率在4.56×10 16和1.79×10 17核/ mL·s之间,其中最高的速率与煤油溶液中的结晶有关。十二烷的等过饱和成核率最高,范围从2.39×10 17到3.63×10 18核/ mL·s。甲苯中的成核似乎受到其相对较高的界面张力的阻碍,该界面张力与成核速率相关,该成核速率比十二烷所获得的成核速率小一个数量级。
更新日期:2018-02-20
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