溶液结晶中的介尺度成核过程研究进展

doi:10.11949/0438-1157.20220159

化工学报 ›› 2022, Vol. 73 ›› Issue (6): 2318-2333.DOI: 10.11949/0438-1157.20220159

溶液结晶中的介尺度成核过程研究进展

汪帆¹(),刘岩博¹,李康丽²,童丽²,金美堂²,汤伟伟¹,陈明洋^1,²(),龚俊波^1,^2,³()

^1.天津大学化工学院化学工程联合国家重点实验室，天津 300072
^2.天津大学浙江绍兴研究院，浙江绍兴 312300
^3.化学与化学工程广东实验室，广东汕头 515031

收稿日期:2022-02-07 修回日期:2022-03-09 出版日期:2022-06-05 发布日期:2022-06-30
通讯作者: 陈明洋,龚俊波
作者简介:汪帆(1999—)，男，硕士研究生， fanwangworkharder@tju.edu.cn
基金资助:
国家自然科学基金项目(22108195);化学与化学工程广东实验室项目(1912014)

Research progress on mesoscale nucleation process in solution crystallization

Fan WANG¹(),Yanbo LIU¹,Kangli LI²,Li TONG²,Meitang JIN²,Weiwei TANG¹,Mingyang CHEN^1,²(),Junbo GONG^1,^2,³()

^1.State Key Laboratory of Chemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China
^2.Tianjin University Research Institute of Zhejiang Shaoxing, Shaoxing 312300, Zhejiang, China
^3.Chemistry and Chemical Engineering Guangdong Laboratory, Shantou 515031, Guangdong, China

Received:2022-02-07 Revised:2022-03-09 Online:2022-06-05 Published:2022-06-30
Contact: Mingyang CHEN,Junbo GONG

摘要/Abstract

摘要：

成核作为溶液结晶的第一步，是决定晶体产品质量的关键因素。目前，成核理论主要包括经典成核理论和非经典成核理论。相比于仅以原子、离子或分子等均匀稳定结构为单元的经典成核理论，非经典成核理论以纳米级前聚体为单元，这类单元涵盖了聚集体、纳米粒子等介尺度非均匀动态结构，导致形成的非经典成核过程更为复杂，需在传统的化学、化学工程和过程系统工程研究方法的基础上，充分利用介尺度科学研究方法完成其核心规律的探究。为此，总结了二步成核理论、预成核团簇理论、粒子附着晶化理论以及其他新提出的非经典成核理论，分析了其中的介尺度结构及其时空动态行为，并探讨了利用介尺度数学模型对现有成核数学模型的修正和优化的思路，最后对溶液结晶中晶体成核的介尺度研究范式及理论发展进行了展望。

关键词: 成核, 介尺度, 前聚体, EMMS模型, 两相流, 虚拟过程工程

Abstract:

Nucleation, as the first step in solution crystallization, is a key factor in determining the quality of crystalline products. Nucleation theory mainly includes classical nucleation theory and non-classical nucleation theory. Compared with the classical nucleation theory with uniform and stable structures such as atoms, ions, or molecules as units, non-classical nucleation theories often consider nanoscale precursors as units, such as ion-associated aggregates, nanoparticles and other non-uniform dynamic structures. As a result, the formation of non-classical nucleation processes is more complex. On the basis of traditional research methods of chemistry, chemical engineering and process systems engineering, it is necessary to make full use of mesoscale scientific research methods to complete the exploration of its core laws. This review summarizes the non-classical nucleation theories such as two-step nucleation theory, pre-nucleation cluster theory, and particle attachment crystallization theory, as well as other new theories proposed in recent years, and analyzes the mesoscale structure and its spatiotemporal dynamic behavior, the idea of revising and optimizing the existing nucleation mathematical model with mesoscale mathematical model is discussed, and the mesoscale research paradigm and theoretical development of crystal nucleation in solution crystallization are prospected.

Key words: nucleation, mesoscale, precursor, EMMS model, two-phase flow, virtual process engineering

中图分类号:

TQ 018

汪帆, 刘岩博, 李康丽, 童丽, 金美堂, 汤伟伟, 陈明洋, 龚俊波. 溶液结晶中的介尺度成核过程研究进展[J]. 化工学报, 2022, 73(6): 2318-2333.

Fan WANG, Yanbo LIU, Kangli LI, Li TONG, Meitang JIN, Weiwei TANG, Mingyang CHEN, Junbo GONG. Research progress on mesoscale nucleation process in solution crystallization[J]. CIESC Journal, 2022, 73(6): 2318-2333.

图/表 14

图1 基于三个层次的多尺度特征和介尺度问题

Fig.1 Schematic diagram of the growth process of dendrites

图2 经典成核理论机制示意图

Fig.2 Schematic diagram of classical nucleation theory

图3 单个线体团簇(大小从1到大于50个分子)的快照 (比例尺，20 nm)[38]

Fig.3 Snapshots of individual clusters ranging in size from 1 to more than 50 molecules (scale bar, 20 nm ) [38]

图4 二步成核过程的示意图

Fig.4 Schematic diagram of the two-step nucleation process

图5 液滴团簇自由能随晶核大小的变化[45]

Fig.5 The change of free energy of droplet clusters with nucleus size[45]

图6 二步成核过程中自由能的变化[19]

Fig.6 The changes in free energy during two-step nucleation[19]

图7 预成核团簇理论的成核机理

Fig.7 The nucleation mechanism of pre-nucleation clusters theory

图8 MOF-2/-5中的聚集体团簇[59]

Fig.8 Aggregate clusters in MOF-2/-5[59]

图9 粒子附着晶化理论的成核机理

Fig.9 The nucleation mechanism of crystallization by particle attachment theory

图10 附着过程的典型动力学过程[64]

Fig.10 Typical dynamics of the attachment process[64]

图11 COF-5的两条成核途径[69]

Fig.11 Two observed nucleation pathways for COF-5[69]

图12 五步选择进化结晶机理图[70]1—扁平化;2—碰撞聚集;3—亚稳相分离;4—Ostwald熟化;5—层状生长

Fig.12 Five-step selection evolution crystallization mechanism diagram[70]

图13 局部非均匀气固流场的分解(a)；成核过程非均匀固液流场的分解(b)

Fig.13 Decomposition of local inhomogeneous gas-solid flow field (a); Decomposition of local inhomogeneous solid-liquid flow field during nucleation (b)

图14 虚拟过程工程的科学内涵

Fig.14 The scientific connotation of virtual process engineering

参考文献 115

1	Liu X W, Chee S W, Raj S, et al. Three-step nucleation of metal-organic framework nanocrystals[J]. Proceedings of the National Academy of Sciences of the United States of America, 2021, 118(10): e2008880118.
2	Myerson A S, Trout B L. Nucleation from solution[J]. Science, 2013, 341(6148): 855-856.
3	Tsarfati Y, Biran I, Wiedenbeck E, et al. Continuum crystallization model derived from pharmaceutical crystallization mechanisms[J]. ACS Central Science, 2021, 7(5): 900-908.
4	Olafson K N, Nguyen T Q, Rimer J D, et al. Antimalarials inhibit hematin crystallization by unique drug-surface site interactions[J]. Proceedings of the National Academy of Sciences of the United States of America, 2017, 114(29): 7531-7536.
5	Davey R J, Schroeder S L M, ter Horst J H. Nucleation of organic crystals—a molecular perspective[J]. Angewandte Chemie International Edition, 2013, 52(8): 2166-2179.
6	Fang C, Tang W W, Wu S G, et al. Ultrasound-assisted intensified crystallization of L-glutamic acid: crystal nucleation and polymorph transformation[J]. Ultrasonics Sonochemistry, 2020, 68: 105227.
7	Shi P, Xu S J, Ma Y M, et al. Probing the structural pathway of conformational polymorph nucleation by comparing a series of α, ω-alkanedicarboxylic acids[J]. IUCrJ, 2020, 7(3): 422-433.
8	Davey R J, Allen K, Blagden N, et al. Crystal engineering—nucleation, the key step[J]. CrystEngComm, 2002, 4(47): 257-264.
9	Coquerel G. Crystallization of molecular systems from solution: phase diagrams, supersaturation and other basic concepts[J]. Chemical Society Reviews, 2014, 43(7): 2286-2300.
10	Martin S T. Phase transitions of aqueous atmospheric particles[J]. Chemical Reviews, 2000, 100(9): 3403-3454.
11	Karthika S, Radhakrishnan T K, Kalaichelvi P. A review of classical and nonclassical nucleation theories[J]. Crystal Growth & Design, 2016, 16(11): 6663-6681.
12	Li X, Yin Q X, Zhang M J, et al. Antisolvent crystallization of erythromycin ethylsuccinate in the presence of liquid-liquid phase separation[J]. Industrial & Engineering Chemistry Research, 2016, 55(3): 766-776.
13	Cui P L, Zhang X W, Yin Q X, et al. Evidence of hydrogen-bond formation during crystallization of cefodizime sodium from induction-time measurements and in situ Raman spectroscopy[J]. Industrial & Engineering Chemistry Research, 2012, 51(42): 13663-13669.
14	Gower L B, Odom D J. Deposition of calcium carbonate films by a polymer-induced liquid-precursor (PILP) process[J]. Journal of Crystal Growth, 2000, 210(4): 719-734.
15	Gebauer D, Cölfen H. Prenucleation clusters and non-classical nucleation[J]. Nano Today, 2011, 6(6): 564-584.
16	Thanh N T K, MacLean N, Mahiddine S. Mechanisms of nucleation and growth of nanoparticles in solution[J]. Chemical Reviews, 2014, 114(15): 7610-7630.
17	Klaerner G, Padmanabhan R. Multi-step/step-wise polymerization of well-defined oligomers[M]//Reference Module in Materials Science and Materials Engineering. Amsterdam: Elsevier, 2016.
18	Sun M M, Tang W W, Du S C, et al. Understanding the roles of oiling-out on crystallization of β-alanine: unusual behavior in metastable zone width and surface nucleation during growth stage[J]. Crystal Growth & Design, 2018, 18(11): 6885-6890.
19	Vekilov P G. Dense liquid precursor for the nucleation of ordered solid phases from solution[J]. Crystal Growth & Design, 2004, 4(4): 671-685.
20	Chen J J, Zhu E B, Liu J, et al. Building two-dimensional materials one row at a time: avoiding the nucleation barrier[J]. Science, 2018, 362(6419): 1135-1139.
21	Li J H, Huang W L, Chen J H. Possible roadmap to advancing the knowledge system and tackling challenges from complexity[J]. Chemical Engineering Science, 2021, 237:116548.
22	Ge W, Chen F G, Gao J, et al. Analytical multi-scale method for multi-phase complex systems in process engineering—bridging reductionism and holism[J]. Chemical Engineering Science, 2007, 62(13): 3346-3377.
23	Ge W, Wang W, Yang N, et al. Meso-scale oriented simulation towards virtual process engineering (VPE)—the EMMS paradigm[J]. Chemical Engineering Science, 2011, 66(19): 4426-4458.
24	Smeets P J M, Cho K R, Kempen R G E, et al. Calcium carbonate nucleation driven by ion binding in a biomimetic matrix revealed by in situ electron microscopy[J]. Nature Materials, 2015, 14(4): 394-399.
25	Yang J, Koo J, Kim S, et al. Amorphous-phase-mediated crystallization of Ni nanocrystals revealed by high-resolution liquid-phase electron microscopy[J]. Journal of the American Chemical Society, 2019, 141(2): 763-768.
26	Baumgartner J, Dey A, Bomans P H H, et al. Nucleation and growth of magnetite from solution[J]. Nature Materials, 2013, 12(4): 310-314.
27	Xu S J, Chen Y F, Gong J B, et al. Interplay between kinetics and thermodynamics on the probability nucleation rate of a urea-water crystallization system[J]. Crystal Growth & Design, 2018, 18(4): 2305-2315.
28	Yang J, Xu S J, Wang J K, et al. Nucleation behavior of ethyl vanillin: balance between chemical potential difference and saturation temperature[J]. Journal of Molecular Liquids, 2020, 303: 112609.
29	Xu S J, Wang J K, Zhang K K, et al. Nucleation behavior of eszopiclone-butyl acetate solutions from metastable zone widths[J]. Chemical Engineering Science, 2016, 155: 248-257.
30	Volmer M, Weber. Keimbildung in übersättigten gebilden[J]. Zeitschrift Für Physikalische Chemie, 1926, 119U(1): 277-301.
31	Farkas L. Keimbildungsgeschwindigkeit in übersättigten dämpfen[J]. Zeitschrift Für Physikalische Chemie, 1927, 125U(1): 236-242.
32	Becker R, Döring W. Kinetische behandlung der keimbildung in übersättigten dämpfen[J]. Annalen Der Physik, 1935, 416(8): 719-752.
33	Bai G, Gao D, Liu Z, et al. Probing the critical nucleus size for ice formation with graphene oxide nanosheets[J]. Nature, 2019, 576(7787): 437-441.
34	Garten V A, Head R B. Homogeneous nucleation and the phenomenon of crystalloluminescence[J]. Philosophical Magazine, 1966, 14(132): 1243-1253.
35	Gilra N K. Precrystallization theory applied to ultrasonic velocity in supercooled water[J]. Journal of the Physical Society of Japan, 1967, 23(6): 1431.
36	Adamski T. Commination of crystal nucleation by a precipitation method[J]. Nature, 1963, 197(4870): 894.
37	Yau S T, Vekilov P G. Direct observation of nucleus structure and nucleation pathways in apoferritin crystallization[J]. Journal of the American Chemical Society, 2001, 123(6): 1080-1089.
38	Sleutel M, Lutsko J, van Driessche A E S, et al. Observing classical nucleation theory at work by monitoring phase transitions with molecular precision[J]. Nature Communications, 2014, 5: 5598.
39	Tidhar Y, Weissman H, Tworowski D, et al. Mechanism of crystalline self-assembly in aqueous medium: a combined cryo-TEM/kinetic study[J]. Chemistry - A European Journal, 2014, 20(33): 10332-10342.
40	Wallace A F, Hedges L O, Fernandez-Martinez A, et al. Microscopic evidence for liquid-liquid separation in supersaturated CaCO₃ solutions[J]. Science, 2013, 341(6148): 885-889.
41	Galkin O, Pan W C, Filobelo L, et al. Two-step mechanism of homogeneous nucleation of sickle cell hemoglobin polymers[J]. Biophysical Journal, 2007, 93(3): 902-913.
42	ten Wolde P R, Frenkel D. Enhancement of protein crystal nucleation by critical density fluctuations[J]. Science, 1997, 277(5334): 1975-1978.
43	Talanquer V, Oxtoby D W. Crystal nucleation in the presence of a metastable critical point[J]. The Journal of Chemical Physics, 1998, 109(1): 223-227.
44	Sleutel M, van Driessche A E S. Role of clusters in nonclassical nucleation and growth of protein crystals[J]. PNAS, 2014, 111(5): 201309320.
45	Lutsko J F. How crystals form: a theory of nucleation pathways[J]. Science Advances, 2019, 5(4): eaav7399.
46	Garcia N A, Malini R I, Freeman C L, et al. Simulation of calcium phosphate prenucleation clusters in aqueous solution: association beyond ion pairing[J]. Crystal Growth & Design, 2019, 19(11): 6422-6430.
47	Gebauer D, Völkel A, Cölfen H. Stable prenucleation calcium carbonate clusters[J]. Science, 2008, 322(5909): 1819-1822.
48	Scheck J, Wu B H, Drechsler M, et al. The molecular mechanism of iron(Ⅲ) oxide nucleation[J]. The Journal of Physical Chemistry Letters, 2016, 7(16): 3123-3130.
49	Gebauer D, Kellermeier M, Gale J D, et al. Pre-nucleation clusters as solute precursors in crystallisation[J]. Chemical Society Reviews, 2014, 43(7): 2348-2371.
50	van Vleet M J, Weng T T, Li X Y, et al. In situ, time-resolved, and mechanistic studies of metal-organic framework nucleation and growth[J]. Chemical Reviews, 2018, 118(7): 3681-3721.
51	Kellermeier M, Rosenberg R, Moise A, et al. Amino acids form prenucleation clusters: ESI-MS as a fast detection method in comparison to analytical ultracentrifugation[J]. Faraday Discussions, 2012, 159: 23.
52	Nielsen M H, Aloni S, de Yoreo J J. In situ TEM imaging of CaCO₃ nucleation reveals coexistence of direct and indirect pathways[J]. Science, 2014, 345(6201): 1158-1162.
53	Shi P, Xu S J, Yang H Y, et al. Use of additives to regulate solute aggregation and direct conformational polymorph nucleation of pimelic acid[J]. IUCrJ, 2021, 8(Pt 2): 161-167.
54	Li S, Tang W W, Shi P, et al. A new perspective of gallic acid on calcium oxalate nucleation[J]. Crystal Growth & Design, 2020, 20(5): 3173-3181.
55	Zhao S L, Gao J, Ma S Y, et al. Mechanism and modelling of reactive crystallization process of lithium carbonate[J]. Processes, 2019, 7(5): 248.
56	龚俊波, 李斯, 陈明洋, 等. 氯吡格雷硫酸氢盐的溶析结晶过程研究[J]. 中国医药工业杂志, 2018, 49(5): 677-683.
	Gong J B, Li S, Chen M Y, et al. Study on the process of antisolvent crystallization of clopidogrel hydrogen sulfate[J]. Chinese Journal of Pharmaceuticals, 2018, 49(5): 677-683.
57	Chen M Y, Du S C, Zhang T, et al. Spherical crystallization and the mechanism of clopidogrel hydrogen sulfate[J]. Chemical Engineering & Technology, 2018, 41(6): 1259-1265.
58	Pouget E M, Bomans P H H, Goos J A C M, et al. The initial stages of template-controlled CaCO₃ formation revealed by cryo-TEM[J]. Science, 2009, 323(5920): 1455-1458.
59	Xing J, Schweighauser L, Okada S, et al. Atomistic structures and dynamics of prenucleation clusters in MOF-2 and MOF-5 syntheses[J]. Nature Communications, 2019, 10: 3608.
60	Bewernitz M A, Gebauer D, Long J, et al. A metastable liquid precursor phase of calcium carbonate and its interactions with polyaspartate[J]. Faraday Discussions, 2012, 159: 291.
61	de Yoreo J J, Gilbert P U P A, Sommerdijk N A J M, et al. Crystallization by particle attachment in synthetic, biogenic, and geologic environments[J]. Science, 2015, 349(6247): aaa6760.
62	Olszta M J, Cheng X G, Jee S S, et al. Bone structure and formation: a new perspective[J]. Materials Science and Engineering: R: Reports, 2007, 58(3/4/5): 77-116.
63	Ivanov V K, Fedorov P P, Ye Baranchikov A, et al. Oriented attachment of particles: 100 years of investigations of non-classical crystal growth[J]. Russian Chemical Reviews, 2014, 83(12): 1204-1222.
64	Li D S, Nielsen M H, Lee J R I, et al. Direction-specific interactions control crystal growth by oriented attachment[J]. Science, 2012, 336(6084): 1014-1018.
65	Rodríguez-Navarro C, Ruiz-Agudo E, Harris J, et al. Nonclassical crystallization in vivo et in vitro (Ⅱ): Nanogranular features in biomimetic minerals disclose a general colloid-mediated crystal growth mechanism[J]. Journal of Structural Biology, 2016, 196(2): 260-287.
66	Li M Y, Li S, Tang W W, et al. Understanding the crystallization pathway of monosodium urate monohydrate in a biomimetic matrix[J]. Crystal Growth & Design, 2020, 20(2): 804-812.
67	Mirabello G, Ianiro A, Bomans P H H, et al. Crystallization by particle attachment is a colloidal assembly process[J]. Nature Materials, 2020, 19(4): 391-396.
68	Michaels T C T, Lazell H W, Arosio P, et al. Dynamics of protein aggregation and oligomer formation governed by secondary nucleation[J]. The Journal of Chemical Physics, 2015, 143(5): 054901.
69	Li H Y, Chavez A D, Li H F, et al. Nucleation and growth of covalent organic frameworks from solution: the example of COF-5[J]. Journal of the American Chemical Society, 2017, 139(45): 16310-16318.
70	Chen H, Li M, Lu Z, et al. Multistep nucleation and growth mechanisms of organic crystals from amorphous solid states[J]. Nature Communications, 2019, 10: 3872.
71	Kashchiev D, van Rosmalen G M. Review: nucleation in solutions revisited[J]. Crystal Research and Technology, 2003, 38(78): 555-574.
72	Tang W W, Sima A D, Gong J B, et al. Kinetic difference between concomitant polymorphism and solvent-mediated phase transformation: a case of tolfenamic acid[J]. Crystal Growth & Design, 2020, 20(3): 1779-1788.
73	Du W, Yin Q X, Bao Y, et al. Concomitant polymorphism of prasugrel hydrochloride in reactive crystallization[J]. Industrial & Engineering Chemistry Research, 2013, 52(46): 16182-16189.
74	Zhang K K, Xu S J, Liu S Y, et al. Novel strategy to control polymorph nucleation of gamma pyrazinamide by preferred intermolecular interactions during heterogeneous nucleation[J]. Crystal Growth & Design, 2018, 18(9): 4874-4879.
75	林家伟, 石鹏, 龚俊波, 等. 表面诱导药物多晶型成核的研究进展[J]. 化工学报, 2021, 72(2): 814-827.
	Lin J W, Shi P, Gong J B, et al. Progress on surface-induced nucleation of drug for controlling polymorphism[J]. CIESC Journal, 2021, 72(2): 814-827.
76	赵绍磊, 王灵宇, 吴送姑. 药物多晶型的研究进展[J]. 化学工业与工程, 2018, 35(3): 12-21.
	Zhao S L, Wang L Y, Wu S G. Progress in the research of pharmaceutical polymorph[J]. Chemical Industry and Engineering, 2018, 35(3): 12-21.
77	汤伟伟, 李斯, 龚俊波. 有机晶体成核分子机理研究进展[J]. 化学工业与工程, 2018, 35(3): 2-11.
	Tang W W, Li S, Gong J B. Research progress on molecular mechanism of nucleation of organic crystals[J]. Chemical Industry and Engineering, 2018, 35(3): 2-11.
78	Erdemir D, Lee A Y, Myerson A S. Nucleation of crystals from solution: classical and two-step models[J]. Accounts of Chemical Research, 2009, 42(5): 621-629.
79	Lee J, Yang J, Kwon S G, et al. Nonclassical nucleation and growth of inorganic nanoparticles[J]. Nature Reviews Materials, 2016, 1: 16034.
80	Gebauer D, Wolf S E. Designing solid materials from their solute state: a shift in paradigms toward a holistic approach in functional materials chemistry[J]. Journal of the American Chemical Society, 2019, 141(11): 4490-4504.
81	Gilbert P U P A, Porter S M, Sun C Y, et al. Biomineralization by particle attachment in early animals[J]. PNAS, 2019, 116(36): 17659-17665.
82	Yin Y, Alivisatos A P. Colloidal nanocrystal synthesis and the organic-inorganic interface[J]. Nature, 2005, 437(7059): 664-670.
83	Wu Z H, Yang S L, Wu W. Shape control of inorganic nanoparticles from solution[J]. Nanoscale, 2016, 8(3): 1237-1259.
84	Zhang Q, Liu S J, Yu S H. Recent advances in oriented attachment growth and synthesis of functional materials: concept, evidence, mechanism, and future[J]. J. Mater. Chem., 2009, 19(2): 191-207.
85	Guo L, Wu J, Li J H. Complexity at mesoscales: a common challenge in developing artificial intelligence[J]. Engineering, 2019,5(5):924-929.
86	Li J H. Approaching virtual process engineering with exploring mesoscience[J]. Chemical Engineering Journal, 2015, 278: 541-555.
87	Li J H, Huang W L. Towards Mesoscience: the Principle of Compromise in Competition[M]. Berlin, Heidelberg: Springer, 2014.
88	Li J H, Tung Y, Kwauk M. Method of energy minimization in multi-scale modeling of particle-fluid two-phase flow[M]//Circulating Fluidized Bed Technology. Amsterdam: Elsevier, 1988: 89-103.
89	Yang N, Wu Z Y, Chen J H, et al. Multi-scale analysis of gas-liquid interaction and CFD simulation of gas-liquid flow in bubble columns[J]. Chemical Engineering Science, 2011, 66(14): 3212-3222.
90	Wang L M, Qiu X P, Zhang L, et al. Turbulence originating from the compromise-in-competition between viscosity and inertia[J]. Chemical Engineering Journal, 2016, 300: 83-97.
91	Li J H, Zhang Z D, Ge W, et al. A simple variational criterion for turbulent flow in pipe[J]. Chemical Engineering Science, 1999, 54(8): 1151-1154.
92	Huang W L, Li J H. Mesoscale model for heterogeneous catalysis based on the principle of compromise in competition[J]. Chemical Engineering Science, 2016, 147: 83-90.
93	王维, 洪坤, 鲁波娜, 等. 流态化模拟: 基于介尺度结构的多尺度CFD[J]. 化工学报, 2013, 64(1): 95-106.
	Wang W, Hong K, Lu B N, et al. Fluidized bed simulation: structure-dependent multiscale CFD[J]. CIESC Journal, 2013, 64(1): 95-106.
94	Li J H, Kwauk M. Multiscale nature of complex fluid-particle systems[J]. Industrial & Engineering Chemistry Research, 2001, 40(20): 4227-4237.
95	李静海. 两相流多尺度作用模型和能量最小方法[D]. 北京: 中国科学院, 1987.
	Li J H. Multiscale action model and energy minimization method for two-phase flow[D]. Beijing: Chinese Academy of Sciences, 1987.
96	李飞, 陈程, 王锦生, 等. 稠密气固两相QL-EMMS曳力模型及改进[J]. 工程热物理学报, 2011, 32(1): 75-79.
	Li F, Chen C, Wang J S, et al. QL-EMMS drag model & its revision for fluidized dense gas-solid two-phase flow[J]. Journal of Engineering Thermophysics, 2011, 32(1): 75-79.
97	佟颖, Nouman Ahmad, 鲁波娜, 等. 基于EMMS介尺度模型的双分散鼓泡流化床的模拟[J]. 化工学报, 2019, 70(5): 1682-1692.
	Tong Y, Nouman A, Lu B N, et al. Numerical investigation of bubbling fluidized bed with binary particle mixture using EMMS mesoscale drag model[J]. CIESC Journal, 2019, 70(5): 1682-1692.
98	Horio M, Kuroki H. Three-dimensional flow visualization of dilutely dispersed solids in bubbling and circulating fluidized beds[J]. Chemical Engineering Science, 1994, 49(15): 2413-2421.
99	Bi H T, Grace J R. Effect of measurement method on the velocities used to demarcate the onset of turbulent fluidization[J]. The Chemical Engineering Journal and the Biochemical Engineering Journal, 1995, 57(3): 261-271.
100	Zhu H Y, Zhu J. Characterization of fluidization behavior in the bottom region of CFB risers[J]. Chemical Engineering Journal, 2008, 141(1/2/3): 169-179.
101	Li J H, Zhang J Y, Ge W, et al. Multi-scale methodology for complex systems[J]. Chemical Engineering Science, 2004, 59(8/9): 1687-1700.
102	Zhang J Y, Ge W, Li J H. Simulation of heterogeneous structures and analysis of energy consumption in particle-fluid systems with pseudo-particle modeling[J]. Chemical Engineering Science, 2005, 60(11): 3091-3099.
103	Li J H, Cheng C L, Zhang Z D, et al. The EMMS model—its application, development and updated concepts[J]. Chemical Engineering Science, 1999, 54(22): 5409-5425.
104	Li J H, Ge W, Wang W, et al. Focusing on mesoscales: from the energy-minimization multiscale model to mesoscience[J]. Current Opinion in Chemical Engineering, 2016, 13: 10-23.
105	Li J H, Ge W, Wang W, et al. From Multiscale Modeling to Meso-science[M]. Berlin, Heidelberg: Springer, 2013.
106	Ren Y, Gao J, Xu J, et al. Key factors in chaperonin-assisted protein folding[J]. Particuology, 2012, 10(1): 105-116.
107	Li J H, Huang W L, Chen J H, et al. Mesoscience based on the EMMS principle of compromise in competition[J]. Chemical Engineering Journal, 2018, 333: 327-335.
108	Li J H, Huang W L. From multiscale to mesoscience: addressing mesoscales in mesoregimes of different levels[J]. Annual Review of Chemical and Biomolecular Engineering, 2018, 9: 41-60.
109	Liu Z K, Yin Q X, Zhang H, et al. Investigation of the crystallization of disodium 5'-inosinate in a water + ethanol system: solubility, nucleation mechanism, and crystal morphology[J]. Industrial & Engineering Chemistry Research, 2014, 53(21): 8913-8919.
110	Zhang K K, Xu S J, Gong J B, et al. Revealing the critical role of template functional group ordering in the template-directed crystallization of pyrazinamide[J]. CrystEngComm, 2019, 21(42): 6382-6389.
111	Zhang J L, Liu A Y, Han Y, et al. Effects of self-assembled monolayers on selective crystallization of tolbutamide[J]. Crystal Growth & Design, 2011, 11(12): 5498-5506.
112	李静海, 胡英, 袁权. 探索介尺度科学: 从新角度审视老问题[J]. 中国科学: 化学, 2014, 44(3): 277-281.
	Li J H, Hu Y, Yuan Q. Mesoscience: exploring old problems from a new angle[J]. Chinese Science: Chemistry, 2014, 44(3): 277-281.
113	杨宁, 李静海. 化学工程中的介尺度科学与虚拟过程工程: 分析与展望[J]. 化工学报, 2014, 65(7): 2403-2409.
	Yang N, Li J H. Mesoscience in chemical engineering and virtual process engineering: analysis and perspective[J]. CIESC Journal, 2014, 65(7): 2403-2409.
114	Shafiq S I, Sanin C, Szczerbicki E, et al. Virtual engineering factory: creating experience base for industry 4.0[J]. Cybernetics and Systems, 2016, 47(1/2): 32-47.
115	Ge W, Guo L, Liu X H, et al. Mesoscience-based virtual process engineering[J]. Computers & Chemical Engineering, 2019, 126: 68-82.

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溶液结晶中的介尺度成核过程研究进展

Research progress on mesoscale nucleation process in solution crystallization

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