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Problems, potentials and future of industrial crystallization

J. Ulrich, P. Frohberg

《化学科学与工程前沿（英文）》 2013年 第7卷 第1期   页码 1-8 doi: 10.1007/s11705-013-1304-y

摘要： This review discusses important research developments and arising challenges in the field of industrial crystallization with an emphasis on recent problems. The most relevant areas of research have been identified. These are the prediction of phase diagrams; the prediction of effects of impurities and additives; the design of fluid dynamics; the process control with process analytical technologies (PAT) tools; the polymorph and solvate screening; the stabilization of non-stable phases; and the product design. The potential of industrial crystallization in various areas is outlined and discussed with particular reference to the product quality, process design, and control. On this basis, possible future directions for research and development have been pointed out to highlight the importance of crystallization as an outstanding technique for separation, purification as well as for product design.

关键词： industrial crystallization     potentials and future     product design    

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Crystallization and viscosity-temperature characteristics during co-gasification of industrial sludge

Linmin ZHANG, Bin LIU, Juntao WEI, Xudong SONG, Yonghui BAI, Jiaofei WANG, Ying ZHOU, Huijun YANG, Guangsuo YU

《能源前沿（英文）》 2022年 第16卷 第6期   页码 1037-1047 doi: 10.1007/s11708-022-0824-x

摘要： Co-gasification of industrial sludge (IS) and coal was an effective approach to achieve harmless and sustainable utilization of IS. The long-term and stable operation of a co-gasification largely depends on fluidity of coal-ash slag. Herein, the effects of IS addition on the crystallization and viscosity of Shuangmazao (SMZ) coal were investigated by means of high temperature stage coupled with an optical microscope (HTSOM), a scanning electron microscopy coupled with an energy dispersive X-ray spectrometry (SEM-EDS), X-ray diffraction (XRD), a Fourier transform infrared spectrometer (FTIR), and FactSage software. The results showed that when the proportion of IS was less than 60%, with the addition of IS, the slag existed in an amorphous form. This was due to the high content of SiO2 and Al2O3 in SMZ ash and blended ash, which had a high glass-forming ability (GFA). The slag formed at a high temperature had a higher polymerization degree and viscosity, which led to a decrease in the migration ability between ions, and ultimately made the slag difficult to crystallize during the cooling. When the proportion of IS was higher than 60%, the addition of IS increased the CaO and FeO content in the system. As network modifiers, CaO and FeO could provide O2− at a high temperature, which reacted with silicate network structure and continuously destroyed the complexity of network structure, thus reducing the polymerization degree and viscosity of slag. At this time, the migration ability between ions was enhanced, and needle-shaped/rod-shaped crystals were precipitated during the cooling process. Finally, the viscosity calculated by simulation and Einstein-Roscoe empirical formula demonstrated that the addition of IS could significantly improve the fluidity of coal ash and meet the requirements of the liquid slag-tapping gasifier. The purpose of this work was to provide theoretical support for slag flow mechanisms during the gasifier slagging-tapping process and the resource treatment of industrial solid waste.

关键词： co-gasification     industrial sludge     crystallization     viscosity     mineral matter evolution    

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learning-based solubility prediction and methodology evaluation of active pharmaceutical ingredients in industrialcrystallization

《化学科学与工程前沿（英文）》 2022年 第16卷 第4期   页码 523-535 doi: 10.1007/s11705-021-2083-5

摘要： Solubility has been widely regarded as a fundamental property of small molecule drugs and drug candidates, as it has a profound impact on the crystallization process. Solubility prediction, as an alternative to experiments which can reduce waste and improve crystallization process efficiency, has attracted increasing attention. However, there are still many urgent challenges thus far. Herein we used seven descriptors based on understanding dissolution behavior to establish two solubility prediction models by machine learning algorithms. The solubility data of 120 active pharmaceutical ingredients (APIs) in ethanol were considered in the prediction models, which were constructed by random decision forests and artificial neural network with optimized data structure and model accuracy. Furthermore, a comparison with traditional prediction methods including the modified solubility equation and the quantitative structure-property relationships model was carried out. The highest accuracy shown by the testing set proves that the ML models have the best solubility prediction ability. Multiple linear regression and stepwise regression were used to further investigate the critical factor in determining solubility value. The results revealed that the API properties and the solute-solvent interaction both provide a nonnegligible contribution to the solubility value.

关键词： solubility prediction     machine learning     artificial neural network     random decision forests    

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Separation of gibberellic acid (GA3) by macroporous adsorption resins

WANG Ruifang, YANG Jialing, SHI Zuoqing, OU Lailiang

《化学科学与工程前沿（英文）》 2008年 第2卷 第2期   页码 171-175 doi: 10.1007/s11705-008-0025-0

摘要： The adsorption effects of several macroporous adsorption resins for gibberellic acid (GA3) were investigated. The dynamic adsorption capacity is 58.38 mg/g dry beads for resin R4 and 96.46 mg/g dry beads for resin R5 which is consistent with the surface area. Aqueous methanol (50%, V/V) is a good eluent and the yield of GA3 is above 95%. The concentration of GA3 could increase five-fold after an adsorption-elution cycle and this is important when considering further crystallization of GA3 in an industrial process.

关键词： industrial     gibberellic     adsorption capacity     crystallization     consistent    

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Synthesis and characterization of magnesium hydroxide by batch reaction crystallization

Xingfu SONG, Shuying SUN, Dengke ZHANG, Jin WANG, Jianguo YU

《化学科学与工程前沿（英文）》 2011年 第5卷 第4期   页码 416-421 doi: 10.1007/s11705-011-1125-9

摘要： Magnesium hydroxide with high purity and uniform particle size distribution was synthesized by the direct precipitation method using MgCl and NaOH as reactive materials and NaCl as additive to improve the crystallization behavior of the product. The particle size distribution, crystal phase, morphology, and surface area of magnesium hydroxide were characterized by Malvern laser particle size analyzer, X-ray diffraction (XRD), scanning electron microscope (SEM) and Branauer-Emmett-Teller (BET) method, respectively. The purity of products was analyzed by the chemical method. The effects of synthesis conditions on the particle size distribution and water content (filtration cake) of magnesium hydroxide were investigated. The results indicated that feeding mode and rate, and reaction temperature had important effects on water content and the particle size distribution of the product, and sodium chloride improved the crystallization behavior of magnesium hydroxide. The ball-like magnesium hydroxides with the particle size distribution of 6.0–30.0 μm and purity higher than 99.0% were obtained. This simple and mild synthesis method was promising to be scaled up for the industrial production of magnesium hydroxide.

关键词： magnesium hydroxide     direct precipitation method     industrial crystallization     particle size distribution    

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Progress in membrane distillation crystallization: Process models, crystallization control and innovative

Xiaobin Jiang, Linghan Tuo, Dapeng Lu, Baohong Hou, Wei Chen, Gaohong He

《化学科学与工程前沿（英文）》 2017年 第11卷 第4期   页码 647-662 doi: 10.1007/s11705-017-1649-8

摘要： Membrane distillation crystallization (MDC) is a promising hybrid separation process that has been applied to seawater desalination, brine treatment and wastewater recovery. In recent years, great progress has been made in MDC technologies including the promotion of nucleation and better control of crystallization and crystal size distribution. These advances are useful for the accurate control of the degree of supersaturation and for the control of the nucleation kinetic processes. This review focuses on the development of MDC process models and on crystallization control strategies. In addition, the most important innovative applications of MDC in the last five years in crystal engineering and pharmaceutical manufacturing are summarized.

关键词： membrane distillation crystallization     mathematics model     nucleation     separation     hybrid process    

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Effects of a structurally related substance on the crystallization of paracetamol

Ali SALEEMI, I.I. ONYEMELUKWE, Zoltan NAGY

《化学科学与工程前沿（英文）》 2013年 第7卷 第1期   页码 79-87 doi: 10.1007/s11705-013-1308-7

摘要： Paracetamol (PCM) was crystallized from an isopropanol (IPA) solution containing various small amounts of metacetamol as an additive. The effect on the nucleation kinetics was studied by measuring the induction time to nucleation and the metastable zone width using focused beam reflectance measurements (FBRM) and attenuated total reflectance (ATR-UV/Vis) spectroscopy. Both the induction time and the metastable zone width were expressed as functions of the additive concentration. Small amounts of metacetamol (1–4 mol-%) were found to cause significant inhibition to the nucleation by extending both the induction time and the metastable zone width. A progressive change in the morphology of the paracetamol crystals from tabular to columnar habit was observed with increasing metacetamol concentration. The solvent also had a significant effect on the size of the paracetamol crystals as smaller crystals were obtained in IPA than in aqueous solution. The dissolution rate of paracetamol was improved by the incorporation of metacetamol with 4 mol-% having the most effect. A supersaturation control (SSC) approach was implemented for the PCM-IPA system with and without metacetamol in an attempt to control and obtain larger metacetamol-doped paracetamol crystals.

关键词： acetaminophen     metacetamol     crystallization     metastable zone width     induction time     supersaturation control    

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Interfacial induction and regulation for microscale crystallization process: a critical review

《化学科学与工程前沿（英文）》 2022年 第16卷 第6期   页码 838-853 doi: 10.1007/s11705-021-2129-8

摘要： Microscale crystallization is at the frontier of chemical engineering, material science, and biochemical research and is affected by many factors. The precise regulation and control of microscale crystal processes is still a major challenge. In the heterogeneous induced nucleation process, the chemical and micro/nanostructural characteristics of the interface play a dominant role. Ideal crystal products can be obtained by modifying the interface characteristics, which has been proven to be a promising strategy. This review illustrates the application of interface properties, including chemical characteristics (hydrophobicity and functional groups) and the morphology of micro/nanostructures (rough structure and cavities, pore shape and pore size, surface porosity, channels), in various microscale crystallization controls and process intensification. Finally, possible future research and development directions are outlined to emphasize the importance of interfacial crystallization control and regulation for crystal engineering.

关键词： interfacial crystallization     heterogeneous nucleation     supersaturation     micro/nanostructure     process control and intensification    

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The feasibility of coating by cooling crystallization on ibuprofen naked tablets

Fatima Mameri, Ouahiba Koutchoukali, Mohamed Bouhelassa, Anne Hartwig, Leila Nemdili, Joachim Ulrich

《化学科学与工程前沿（英文）》 2017年 第11卷 第2期   页码 211-219 doi: 10.1007/s11705-017-1619-1

摘要： Sugar spray coating is a frequently used process in the pharmaceutical industry. However, this process presents the disadvantage to form an amorphous coating around the active ingredient. A crystalline coating formed on the surface of a tablet is highly desirable. Recently, a new process of coating by cooling crystallization has been developed and applied on bisacodyl pastilles obtained by melt crystallization. In this work, we investigated the feasibility of coating by cooling crystallization on ibuprofen “naked tablets” manufactured by compression. In the first part of this work, the solubility and the metastable zone width have been determined experimentally for the coating solution because they are essential factors for any crystallization process. In the second part, the coating process is investigated on the operating conditions that affect the surface morphology and the crystal growth rate. These experimental conditions include concentration of the coating solution, degree of sub-cooling, agitation speed, retention time, and surface properties of the naked ibuprofen tablets. The results show that naked tablet coating by cooling crystallization is feasible and can be applied in the pharmaceutical industry.

关键词： coating     solution crystallization     ibuprofen tablets     sucrose    

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Utilizing melt crystallization fundamentals in the development of a new tabletting technology

Ahmed ABOUZEID,Sandra PETERSEN,Joachim ULRICH

《化学科学与工程前沿（英文）》 2014年 第8卷 第3期   页码 346-352 doi: 10.1007/s11705-014-1443-9

摘要： Increasing production effeciency and lowering costs are some of the many advantages melt crystallization technology offers over the conventional methodology of tabletting. A normal tablet consists of a pure shell or a coat and a separate core constituting the pharmaceutical active ingredient. Great emphasis is put on the purity of the shell since its purpose is to solely protect and deliver the active ingredient to its target. Melt crystallization is a purification (separation) process. It is discussed here for its ability to produce coated tablets, by separating the “coating” material from the “to be coated” material coming from one molten mixture. Molten drops of lutrol-ibuprofen mixture are produced using the drop forming technique. The subsequent analysis involves proving and quantifying the phase separation (coat purity). The mechanism of a crystallizing drop is shown as direct evidence of the ongoing process. Moreover, solidified tablet batches are analyzed for the purity of their coating by measuring the ibuprofen concentration. This optimization process is carried out through multiple stages of development and condition enhancements in order to produce the most pure tablet coating. As a result, a trial showing an almost purely coated tablet is presented here.

关键词： phase separation     melt crystallization     tablets     process optimization    

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Nucleic acid crystallization and X-ray crystallography facilitated by single selenium atom

Wen Zhang,Jack W. Szostak,Zhen Huang

《化学科学与工程前沿（英文）》 2016年 第10卷 第2期   页码 196-202 doi: 10.1007/s11705-016-1565-3

摘要： X-ray crystallography is a powerful strategy for 3-D structure determination of macromolecules, such as nucleic acids and protein-nucleic acid complexes. However, the crystallization and phase determination are the major bottle-neck problems in crystallography. Recently we have successfully developed synthesis and strategy of selenium-derivatized nucleic acids (SeNA) for nucleic acid crystallography. SeNA might not only provide the rational strategies to solve the phase determination problem, but also offer a potential strategy to explore crystallization solutions.

关键词： selenium     DNA     RNA     nucleic acid     crystallization    

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Preparation and crystallization kinetics of micron-sized Mg(OH)

Xingfu SONG, Kefeng TONG, Shuying SUN, Ze SUN, Jianguo YU

《化学科学与工程前沿（英文）》 2013年 第7卷 第2期   页码 130-138 doi: 10.1007/s11705-013-1332-7

摘要： Magnesium hydroxide is an important chemical, and is usually obtained from seawater or brine via precipitation process. The particle size distribution of magnesium hydroxide has great effects on the subsequent filtration and drying processes. In this paper, micron-sized magnesium hydroxide with high purity, large particle size and low water content in filter cake was synthesized via simple wet precipitation in a mixed suspension mixed product removal (MSMPR) crystallizer. The effects of reactant concentration, residence time and impurities on the properties of magnesium hydroxide were investigated by X-Ray diffraction (XRD), Scanning Electron Microscopy (SEM) and Malvern laser particle size analyzer. The results show that NaOH concentration and residence time have great effects on the water content and particle size of Mg(OH) . The spherical Mg(OH) with uniform diameter of about 30 μm was obtained with purity higher than 99% and water content less than 31%. Furthermore, the crystallization kinetics based on the population balance theory was studied to provide the theoretical data for industrial enlargement, and the simulation coefficients ( ) based on ASL model and C-R model are 0.9962 and 0.9972, respectively, indicating that the crystal growth rate of magnesium hydroxide can be well simulated by the size-dependent growth models.

关键词： magnesium hydroxide     precipitation     micron-sized     crystallization kinetics    

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Applications of the crystallization process in the pharmaceutical industry

Sohrab ROHANI

《化学科学与工程前沿（英文）》 2010年 第4卷 第1期   页码 2-9 doi: 10.1007/s11705-009-0297-z

摘要： The applications of the crystallization technique in the pharmaceutical industry as a purification and separation process for the isolation and synthesis of pure active pharmaceutical ingredients (API), co-crystals, controlled release pulmonary drug delivery, and separation of chiral isomers are briefly discussed using a few case studies. The effect of process variables and solvent on the polymorphism and morphology of stavudine is discussed. The implementation of external control in the form of feedback and real-time optimal control using cooling and antisolvent crystallization of paracetamol in water-isopropyl alcohol is introduced. Two methods to prepare micron-sized drug particles, namely, micro-crystallization and polymer-coated API-loaded magnetic nanoparticles for pulmonary drug delivery, are discussed. The significance of co-crystals in drug administration is highlighted using the theophylline-nicotinamide co-crystal system. Resolution of chloromandelic acid derivatives, a racemic compound, is achieved using direct crystallization and diastereomeric salts crystallization. The crystal structures of diastereomeric salts of chloromandelic acid and phenylethylamine are determined. The structure comparison between the less soluble and more soluble salts shows that weak interactions such as CH/π interactions and van der Waals forces contribute to chiral recognition when the hydrogen bonding patterns are similar.

关键词： feedback     morphology     pulmonary     paracetamol     recognition    

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Importance of emulsions in crystallization—applications for fat crystallization

Sandra PETERSEN, K. CHALEEPA, Joachim ULRICH

《化学科学与工程前沿（英文）》 2013年 第7卷 第1期   页码 43-48 doi: 10.1007/s11705-013-1309-6

摘要： Emulsions and crystallization are two independent research topics which normally do not overlap although a combination of the two could be applicable to many areas. Here, the importance of emulsions in the field of fat crystallization is described. Three applications with industrial relevance were chosen for investigation: fat fractionation, the solidification of phase change materials and solid lipid nanoparticles. For fat fractionation and phase change materials, emulsification can be applied as a tool to improve the fat crystallization process, and thus the product quality of the crystallized fat. Furthermore, the use of emulsification creates new application fields such as solid lipid nanoparticles in the area of fat crystallization.

关键词： emulsion     fat crystallization     phase change material     emulsion fractionation     emulsion solidification    

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Effect of polyethylene glycol on the crystallization, rheology and foamability of poly(lactic acid) containing

《化学科学与工程前沿（英文）》 2023年 第17卷 第12期   页码 2074-2087 doi: 10.1007/s11705-023-2342-8

摘要： In this study, the rheological properties, crystallization and foaming behavior of poly(lactic acid) with polyamide 6 nanofibrils were examined with polyethylene glycol as a compatibilizer. Polyamide 6 particles were deformed into nanofibrils during drawing. For the 10% polyamide 6 case, polyethylene glycol addition reduced the polyamide 6 fibril diameter from 365.53 to 254.63 nm, owing to the smaller polyamide 6 particle size and enhanced interface adhesion. Rheological experiments revealed that the viscosity and storage modulus of the composites were increased, which was associated with the three-dimensional entangled network of polyamide 6 nanofibrils. The presence of higher aspect ratio polyamide 6 nanofibrils substantially enhanced the melt strength of the composites. The isothermal crystallization kinetics results suggested that the polyamide 6 nanofibrils and polyethylene glycol had a synergistic effect on accelerating poly(lactic acid) crystallization. With the polyethylene glycol, the crystallization half-time reduced from 103.6 to 62.2 s. Batch foaming results indicated that owing to higher cell nucleation efficiency, the existence of polyamide 6 nanofibrils led to a higher cell density and lower expansion ratio. Furthermore, the poly(lactic acid)/polyamide 6 foams exhibited a higher cell density and expansion ratio than that of the foams without polyethylene glycol.

关键词： poly(lactic acid)     foaming     microfibrillation     rheological property     crystallization    

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标题 作者 时间 类型 操作

Problems, potentials and future of industrial crystallization

J. Ulrich, P. Frohberg

期刊论文

Crystallization and viscosity-temperature characteristics during co-gasification of industrial sludge

Linmin ZHANG, Bin LIU, Juntao WEI, Xudong SONG, Yonghui BAI, Jiaofei WANG, Ying ZHOU, Huijun YANG, Guangsuo YU

期刊论文

learning-based solubility prediction and methodology evaluation of active pharmaceutical ingredients in industrialcrystallization

期刊论文

Separation of gibberellic acid (GA3) by macroporous adsorption resins

WANG Ruifang, YANG Jialing, SHI Zuoqing, OU Lailiang

期刊论文

Synthesis and characterization of magnesium hydroxide by batch reaction crystallization

Xingfu SONG, Shuying SUN, Dengke ZHANG, Jin WANG, Jianguo YU

期刊论文

Progress in membrane distillation crystallization: Process models, crystallization control and innovative

Xiaobin Jiang, Linghan Tuo, Dapeng Lu, Baohong Hou, Wei Chen, Gaohong He

期刊论文

Effects of a structurally related substance on the crystallization of paracetamol

Ali SALEEMI, I.I. ONYEMELUKWE, Zoltan NAGY

期刊论文

Interfacial induction and regulation for microscale crystallization process: a critical review

期刊论文

The feasibility of coating by cooling crystallization on ibuprofen naked tablets

Fatima Mameri, Ouahiba Koutchoukali, Mohamed Bouhelassa, Anne Hartwig, Leila Nemdili, Joachim Ulrich

期刊论文

Utilizing melt crystallization fundamentals in the development of a new tabletting technology

Ahmed ABOUZEID,Sandra PETERSEN,Joachim ULRICH

期刊论文

Nucleic acid crystallization and X-ray crystallography facilitated by single selenium atom

Wen Zhang,Jack W. Szostak,Zhen Huang

期刊论文

Preparation and crystallization kinetics of micron-sized Mg(OH)

Xingfu SONG, Kefeng TONG, Shuying SUN, Ze SUN, Jianguo YU

期刊论文

Applications of the crystallization process in the pharmaceutical industry

Sohrab ROHANI

期刊论文

Importance of emulsions in crystallization—applications for fat crystallization

Sandra PETERSEN, K. CHALEEPA, Joachim ULRICH

期刊论文

Effect of polyethylene glycol on the crystallization, rheology and foamability of poly(lactic acid) containing

期刊论文