Tianbo Fan , Liqiang Jiao , Qiutong Li , Hongyu Zhao , Yihui Qu , Hongfan Guo , Xue Li , Li Li , Cong Li , Shijie Wang
{"title":"氘效应对碳酸镁晶须形貌影响的研究","authors":"Tianbo Fan , Liqiang Jiao , Qiutong Li , Hongyu Zhao , Yihui Qu , Hongfan Guo , Xue Li , Li Li , Cong Li , Shijie Wang","doi":"10.1016/j.jcrysgro.2025.128329","DOIUrl":null,"url":null,"abstract":"<div><div>It is proposed that perturbations of several tens of ppm in the deuterium content of normal water may exert measurable influences on certain physical or chemical properties during aqueous-phase processes, a phenomenon termed the “deuterium effect”. Magnesium carbonate trihydrate whiskers (MgCO<sub>3</sub>·3H<sub>2</sub>O) were synthesized by the co-precipitation method using magnesium chloride and sodium carbonate solutions prepared with water containing 40–165 ppm deuterium at 30–70 °C, and the influence of the deuterium effect on product morphology was investigated. The products were characterized using XRD and SEM. The solubility during the reaction process was determined by titration. The results indicate that changes in deuterium content lead to significant variations in crystal morphology, transforming from predominantly hexagonal prisms to mainly tetragonal prisms with inclusions of irregular hexagonal prism structures. At the same temperature, the solubility of magnesium chloride and calcium carbonate in water with different deuterium contents varies by up to 22.24 % and 17.91 %, respectively, demonstrating the significant impact of the deuterium effect on water activity and crystallization products. Theoretical calculations using the Morphology and CASTEP modules revealed that a reduction in deuterium content causes the dominant exposed facet of MgCO<sub>3</sub>·3H<sub>2</sub>O to gradually change from the (212) plane to the (301) plane, leading to a transformation of the crystals from hexagonal to tetragonal prisms. The p orbital governs the stability of surface structures, and variations in deuterium content activate the density of states of the (212) plane, resulting in morphological changes. The theoretical results are consistent with the experimental observations.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"669 ","pages":"Article 128329"},"PeriodicalIF":2.0000,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Study on the effect of deuterium effect on the morphology of magnesium carbonate whiskers\",\"authors\":\"Tianbo Fan , Liqiang Jiao , Qiutong Li , Hongyu Zhao , Yihui Qu , Hongfan Guo , Xue Li , Li Li , Cong Li , Shijie Wang\",\"doi\":\"10.1016/j.jcrysgro.2025.128329\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>It is proposed that perturbations of several tens of ppm in the deuterium content of normal water may exert measurable influences on certain physical or chemical properties during aqueous-phase processes, a phenomenon termed the “deuterium effect”. Magnesium carbonate trihydrate whiskers (MgCO<sub>3</sub>·3H<sub>2</sub>O) were synthesized by the co-precipitation method using magnesium chloride and sodium carbonate solutions prepared with water containing 40–165 ppm deuterium at 30–70 °C, and the influence of the deuterium effect on product morphology was investigated. The products were characterized using XRD and SEM. The solubility during the reaction process was determined by titration. The results indicate that changes in deuterium content lead to significant variations in crystal morphology, transforming from predominantly hexagonal prisms to mainly tetragonal prisms with inclusions of irregular hexagonal prism structures. At the same temperature, the solubility of magnesium chloride and calcium carbonate in water with different deuterium contents varies by up to 22.24 % and 17.91 %, respectively, demonstrating the significant impact of the deuterium effect on water activity and crystallization products. Theoretical calculations using the Morphology and CASTEP modules revealed that a reduction in deuterium content causes the dominant exposed facet of MgCO<sub>3</sub>·3H<sub>2</sub>O to gradually change from the (212) plane to the (301) plane, leading to a transformation of the crystals from hexagonal to tetragonal prisms. The p orbital governs the stability of surface structures, and variations in deuterium content activate the density of states of the (212) plane, resulting in morphological changes. The theoretical results are consistent with the experimental observations.</div></div>\",\"PeriodicalId\":353,\"journal\":{\"name\":\"Journal of Crystal Growth\",\"volume\":\"669 \",\"pages\":\"Article 128329\"},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2025-09-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Crystal Growth\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022024825002830\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Crystal Growth","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022024825002830","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Study on the effect of deuterium effect on the morphology of magnesium carbonate whiskers
It is proposed that perturbations of several tens of ppm in the deuterium content of normal water may exert measurable influences on certain physical or chemical properties during aqueous-phase processes, a phenomenon termed the “deuterium effect”. Magnesium carbonate trihydrate whiskers (MgCO3·3H2O) were synthesized by the co-precipitation method using magnesium chloride and sodium carbonate solutions prepared with water containing 40–165 ppm deuterium at 30–70 °C, and the influence of the deuterium effect on product morphology was investigated. The products were characterized using XRD and SEM. The solubility during the reaction process was determined by titration. The results indicate that changes in deuterium content lead to significant variations in crystal morphology, transforming from predominantly hexagonal prisms to mainly tetragonal prisms with inclusions of irregular hexagonal prism structures. At the same temperature, the solubility of magnesium chloride and calcium carbonate in water with different deuterium contents varies by up to 22.24 % and 17.91 %, respectively, demonstrating the significant impact of the deuterium effect on water activity and crystallization products. Theoretical calculations using the Morphology and CASTEP modules revealed that a reduction in deuterium content causes the dominant exposed facet of MgCO3·3H2O to gradually change from the (212) plane to the (301) plane, leading to a transformation of the crystals from hexagonal to tetragonal prisms. The p orbital governs the stability of surface structures, and variations in deuterium content activate the density of states of the (212) plane, resulting in morphological changes. The theoretical results are consistent with the experimental observations.
期刊介绍:
The journal offers a common reference and publication source for workers engaged in research on the experimental and theoretical aspects of crystal growth and its applications, e.g. in devices. Experimental and theoretical contributions are published in the following fields: theory of nucleation and growth, molecular kinetics and transport phenomena, crystallization in viscous media such as polymers and glasses; crystal growth of metals, minerals, semiconductors, superconductors, magnetics, inorganic, organic and biological substances in bulk or as thin films; molecular beam epitaxy, chemical vapor deposition, growth of III-V and II-VI and other semiconductors; characterization of single crystals by physical and chemical methods; apparatus, instrumentation and techniques for crystal growth, and purification methods; multilayer heterostructures and their characterisation with an emphasis on crystal growth and epitaxial aspects of electronic materials. A special feature of the journal is the periodic inclusion of proceedings of symposia and conferences on relevant aspects of crystal growth.