磺胺嘧啶N-甲基吡咯烷酮溶剂化合物脱溶剂动力学

doi:10.11949/j.issn.0438-1157.20151822

化工学报 ›› 2016, Vol. 67 ›› Issue (6): 2349-2354.DOI: 10.11949/j.issn.0438-1157.20151822

• 催化、动力学与反应器 • 上一篇下一篇

磺胺嘧啶N-甲基吡咯烷酮溶剂化合物脱溶剂动力学

孙佳¹, 李想¹, 鲍颖^1,2, 张美景^1,2, 侯宝红^1,2, 尹秋响^1,2

1. 天津大学化工学院, 天津 300072;
2. 化学化工协同创新中心, 天津 300072

收稿日期:2015-12-02 修回日期:2016-01-20 出版日期:2016-06-05 发布日期:2016-06-05
通讯作者: 尹秋响
基金资助:
国家自然科学基金项目:溶剂介导药物晶型转化的过程研究(2012B1-0022)。

Desolvation kinetics of sulfadiazine N-methylpyrrolidone solvate

SUN Jia¹, LI Xiang¹, BAO Ying^1,2, ZHANG Meijing^1,2, HOU Baohong^1,2, YIN Qiuxiang^1,2

1. School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China;
2. Collaborative Innovation Center of Chemical Science and Chemical Engineering, Tianjin 300072, China

Received:2015-12-02 Revised:2016-01-20 Online:2016-06-05 Published:2016-06-05
Supported by:
supported by the National Natural Science Foundation of China(2012B1-0022).

摘要/Abstract

摘要：

通过溶液结晶方法制备了磺胺嘧啶N-甲基吡咯烷酮溶剂化合物(SD-NMP),根据热重数据计算可知其中磺胺嘧啶(SD)和N-甲基吡咯烷酮(NMP)的摩尔比是1:2。采用热重分析、热台显微镜、扫描电子显微镜、粉末X射线衍射和傅里叶红外光谱对SD-NMP溶剂化合物脱溶剂过程进行了表征,发现SD-NMP溶剂化合物晶体脱除溶剂后产物与磺胺嘧啶晶体的晶习、晶型相同,磺胺嘧啶溶剂化合物的形成和溶剂的脱除是一个可互相转变的过程。基于不同的反应模型,对70、75、80、85℃下SD-NMP溶剂化合物的脱溶剂过程动力学数据进行拟合,计算得到活化能,结果表明几何收缩模型能很好地描述SD-NMP溶剂化合物的脱溶剂过程,对应的机理为相界面反应,其控制步骤为相界面的推进,与WET3理论一致。

关键词: 磺胺嘧啶, N-甲基吡咯烷酮溶剂化合物, 结晶, 化学过程, 动力学模型, 脱溶剂动力学机理

Abstract:

Sulfadiazine N-methylpyrrolidone solvate (SD-NMP) was prepared by solution crystallization method. The molar ratio of sulfadiazine (SD) to N-methylpyrrolidone (NMP) in the solvate was 1:2 from the calculation of thermal gravimetric data. The desolvation bebavior of SD-NMP solvate was investigated by thermal gravimetric analysis, hot stage microscopy, scanning electron microscopy, powder X-ray diffraction and Fourier transform infrared spectroscopy. According to the same crystal habit and crystal form between the desolvation product of SD-NMP solvate and sulfadiazine crystal, it can be known that the formation and desolvation of SD-NMP solvate was a reversible transformation process. The desolvation kinetics of SD-NMP solvate under temperature of 70℃, 75℃, 80℃ and 85℃ was studied by use of the model fitting method according to the different reaction models. The results showed that the most appropriate model was the geometrical contraction one, and the desolvation of SD-NMP solvate was attributed to phase boundary reaction and the rate-limiting step was the inward advance of the phase boundary from the surface to the center of the crystals. The above research results were consistent with the WET3 theory.

Key words: sulfadiazine, N-methylpyrrolidone solvate, crystallization, chemical processes, kinetic modeling, desolvation kinetics mechanism

中图分类号:

TQ468.1

孙佳, 李想, 鲍颖, 张美景, 侯宝红, 尹秋响. 磺胺嘧啶N-甲基吡咯烷酮溶剂化合物脱溶剂动力学[J]. 化工学报, 2016, 67(6): 2349-2354.

SUN Jia, LI Xiang, BAO Ying, ZHANG Meijing, HOU Baohong, YIN Qiuxiang. Desolvation kinetics of sulfadiazine N-methylpyrrolidone solvate[J]. CIESC Journal, 2016, 67(6): 2349-2354.

参考文献 19

[1]	BRAUN D E, KARAMERTZANIS P G, ARLIN J B, et al. Solid-state forms of β-resorcylic acid: how exhaustive should a polymorph screen be? [J].Cryst. Growth Des.,2011, 11(1):210-220.
[2]	LIU Z K, YIN Q X, ZHANG X, et al. Characterization and structure analysis of cefodizime sodium solvates crystallized from water and ethanol binary solvent mixtures [J]. Ind. Eng. Chem. Res.,2014, 53(8): 3373-3377.
[3]	AITIPAMULA S, CHOW P S, TAN R B H. Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid [J]. CrystEngComm, 2011, 13(3):1037-1045.
[4]	SINGH D, BARUAH J B. Structural study on solvates of dopamine-based cyclic imide derivatives [J]. Cryst.Growth Des., 2011, 11(3): 768-777.
[5]	JØRGENSEN A C, STRACHAN C J, PÖLLÄNEN K H, et al. An insight into water of crystallization during processing using vibrational spectroscopy [J]. J. Pharm. Sci., 2009, 98(11): 3903-3932.
[6]	LESTER C, LUBEY G, DICKS M, et al. Dehydration of risedronate hemi-pentahydrate: analytical and physical characterization [J]. J. Pharm. Sci., 2006, 95(12): 2631-2644.
[7]	BēRZI?Š A, ACTI?Š A. Dehydration of mildronate dihydrate: a study of structural transformations and kinetics [J]. CrystEngComm, 2014, 16(19): 3926-3934.
[8]	KORADIA V, DE DIEGO H L, ELEMA M R, et al. Integrated approach to study the dehydration kinetics of nitrofurantoin monohydrate [J]. J. Pharm. Sci., 2010, 99(9): 3966-3976.
[9]	VYAZOVKIN S, WIGHT C A. Model-free and model-fitting approaches to kinetic analysis of isothermal and nonisothermal data [J]. Thermochim. Acta, 1999, 340: 53-68.
[10]	KHAWAM A, FLANAGAN D R. Solid-state kinetic models: basics and mathematical fundamentals [J]. J. Phy. Chem. B, 2006, 110(35): 17315-17328.
[11]	KHAWAM A, FLANAGAN D R. Basics and applications of solid-state kinetics: a pharmaceutical perspective [J]. J. Pharm. Sci., 2006, 95(3): 472-498.
[12]	KIM Y S, ROUSSEAU R W. Characterization and solid-state transformations of the pseudopolymorphic forms of sodium naproxen [J]. Cryst. Growth Des., 2004, 4(6): 1211-1216.
[13]	GALWEY A K. Structure and order in thermal dehydrations of crystalline solids [J]. Thermochim. Acta, 2000, 355(1): 181-238.
[14]	PAN F F, WANG R M, ENGLERT U. Competing protonation sites in sulfadiazine: answers from chemistry and electron density [J]. CrystEngComm, 2013, 15(6): 1164-1172.
[15]	DONG Z, SALSBURY J S, ZHOU D, et al. Dehydration kinetics of neotame monohydrate [J]. J. Pharm. Sci., 2002, 91(6): 1423-1431.
[16]	VYAZOVKIN S. A unified approach to kinetic processing of nonisothermal data [J]. Int. J. Chem. Kinet., 1996, 28(2): 95-101.
[17]	LAIDLER K J. The development of the Arrhenius equation [J]. J. Chem. Educ., 1984, 61(6): 494.
[18]	CUI P L, YIN Q X, GUO Y H, et al. Polymorphic crystallization and transformation of candesartan [J]. Ind. Eng. Chem. Res.,2012, 51(39): 12910-12916.
[19]	VYAZOVKIN S, BURNHAM A K, CRIADO J M, et al. ICTAC Kinetics Committee recommendations for performing kinetic computations on thermal analysis data [J]. Thermochim. Acta,2011, 520(1): 1-19.

磺胺嘧啶N-甲基吡咯烷酮溶剂化合物脱溶剂动力学

Desolvation kinetics of sulfadiazine N-methylpyrrolidone solvate

PDF (PC)

可视化

摘要/Abstract

引用本文

使用本文

参考文献 19

相关文章 15

编辑推荐

Metrics

本文评价

[1]	金正浩, 封立杰, 李舒宏. 氨水溶液交叉型再吸收式热泵的能量及分析[J]. 化工学报, 2023, 74(S1): 53-63.
[2]	于宏鑫, 邵双全. 水结晶过程的分子动力学模拟分析[J]. 化工学报, 2023, 74(S1): 250-258.
[3]	傅予, 刘兴翀, 王瀚雨, 李海敏, 倪亚飞, 邹文静, 雷月, 彭永姗. F₃EACl修饰层对钙钛矿太阳能电池性能提升的研究[J]. 化工学报, 2023, 74(8): 3554-3563.
[4]	李锦潼, 邱顺, 孙文寿. 煤浆法烟气脱硫中草酸和紫外线强化煤砷浸出过程[J]. 化工学报, 2023, 74(8): 3522-3532.
[5]	李艳辉, 丁邵明, 白周央, 张一楠, 于智红, 邢利梅, 高鹏飞, 王永贞. 非常规服役超临界锅炉的微纳尺度腐蚀动力学模型建立及应用[J]. 化工学报, 2023, 74(6): 2436-2446.
[6]	王承泽, 顾凯丽, 张晋华, 石建轩, 刘艺娓, 李锦祥. 硫化协同老化零价铁增效去除水中Cr（Ⅵ）的作用机制[J]. 化工学报, 2023, 74(5): 2197-2206.
[7]	苏晓丹, 朱干宇, 李会泉, 郑光明, 孟子衡, 李防, 杨云瑞, 习本军, 崔玉. 湿法磷酸半水工艺考察与石膏结晶过程研究[J]. 化工学报, 2023, 74(4): 1805-1817.
[8]	陈毓明, 历伟, 严翔, 王靖岱, 阳永荣. 初生态聚乙烯聚集态结构调控研究进展[J]. 化工学报, 2023, 74(2): 487-499.
[9]	周璇, 李孟亚, 孙杰, 岑振凯, 吕强三, 周立山, 王海涛, 韩丹丹, 龚俊波. 添加剂对氨基酸晶体生长的影响[J]. 化工学报, 2023, 74(2): 500-510.
[10]	苏伟怡, 丁佳慧, 李春利, 王洪海, 姜艳军. 酶促反应结晶研究进展[J]. 化工学报, 2023, 74(2): 617-629.
[11]	郑杰元, 张先伟, 万金涛, 范宏. 丁香酚环氧有机硅树脂的制备及其固化动力学研究[J]. 化工学报, 2023, 74(2): 924-932.
[12]	胡月, 马守骏, 蹇锡高, 翁志焕. 新型聚芳醚腈固化邻苯二甲腈树脂的研究[J]. 化工学报, 2023, 74(2): 871-882.
[13]	周桓, 张梦丽, 郝晴, 吴思, 李杰, 徐存兵. 硫酸镁型光卤石转化钾盐镁矾的过程机制与动态规律[J]. 化工学报, 2022, 73(9): 3841-3850.
[14]	马语峻, 刘向军. 多孔陶瓷膜烟气水分回收理论与模型研究[J]. 化工学报, 2022, 73(9): 4103-4112.
[15]	乃学瑛, 吴鹏, 程远, 肖剑飞, 刘鑫, 董亚萍. 水热生长碱式硫酸镁纳米线结晶动力学研究[J]. 化工学报, 2022, 73(7): 3038-3044.