CAREER: Transport Phenomena and the Uptake of Foreign Species during Crystal Growth

职业：晶体生长过程中的传输现象和外来物质的吸收

• 批准号: 2339644
• 负责人: Gerard Capellades Mendez
• 金额: $ 57.37万
• 依托单位: Rowan University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2024
• 资助国家: 美国
• 起止时间: 2024-02-01 至 2029-01-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2339644&HistoricalAwards=false
• 关键词: CAREER; Transport; Phenomena; Uptake; Foreign

Non-Technical Summary:Industrial crystallization is a widespread process that plays a critical role in the manufacture of bulk and fine chemicals, food products, pharmaceuticals, and a very large number of materials. Crystallization processes often occur from complex mixtures that contain the desired product that is being crystallized, together with several other chemicals (e.g. additives, or by-products from manufacturing). In this context, controlling the extent to which these impurities incorporate in the crystalline material is critical to control its final properties (in materials design) and to mitigate potential adverse health effects (for pharmaceutical products). This CAREER award, funded by the Solid State and Materials Chemistry program in NSF’s Division of Materials Research, investigates how these foreign species interact with the crystallizing product, with particular focus on their behavior as they approach the crystal surface. The project involves several studies set to investigate the attraction of foreign species to specific faces of the crystal, imaging the structure of the liquid that surrounds the growing crystal, and studying the degree of incorporation control that can be achieved by modifying the structure of that surrounding liquid. This research is integrated with an education and outreach plan, involving chocolate crystallization workshops for hundreds of middle and high school students, and research opportunities with industrial mentorship for dozens of undergraduate students and a graduate student. Beyond the training of those students in a field that is in high demand, results from the research will set the grounds for the development of new crystalline materials that use dopants to fine-tune their properties in continuum, and for the effective rejection of potentially toxic impurities from pharmaceutical and food products. Technical Summary:This CAREER award, funded by the Solid State and Materials Chemistry program in NSF’s Division of Materials Research, brings a new approach to the study of guest incorporation (impurities or dopants) during the growth of organic molecular crystals, with specific focus on the role of mesoscale kinetics on the formation of solid solutions. Despite the widespread use of inorganic solid solutions to control material properties throughout history (for example, in metal alloys), and the fact that non-stoichiometric lattice incorporation is one of the primary mechanisms by which potentially toxic process impurities are retained in pharmaceuticals, organic solid solutions are rarely studied in the academic literature. These systems offer potential for tuning crystal properties in continuum, owing to the non-stoichiometric incorporation of the guest in a host’s crystal lattice. This project combines transport theory with laser interferometry to determine what drives the loss of face selectivity in crystals with anisotropic guest incorporation, to image and study the guest’s diffusion boundary layer during crystal growth from concentrated solutions, and to explain kinetic deviations from thermodynamic equilibrium in the formation of molecular solid solutions. These goals are integrated with an education and outreach plan that connects students at very different levels to relevant topics in crystal engineering, while providing them with direct mentorship from industrial collaborators.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

非技术摘要：工业结晶是一个宽度过程，在制造批量和精细化学品，食品，药品以及大量材料中起着至关重要的作用。结晶过程通常来自包含所需产品的复杂混合物，以及其他几种化学物质（例如添加剂或制造业的副产品）。在这种情况下，控制这些杂质在晶体材料中纳入的程度对于控制其最终特性（在材料设计中）并减轻潜在的不良健康效应（对于药物产品）至关重要。该职业奖由NSF材料研究部的固态和材料化学计划资助，研究了这些外国物种如何与结晶产品相互作用，特别关注它们接近水晶表面的行为。该项目涉及几项研究，以研究外国物种对晶体的特定面的吸引力，成像周围生长晶体的液体的结构，并研究可以通过修改周围液体的结构来实现的基础设施控制程度。这项研究与教育和外展计划融合在一起，涉及数百名中学生和高中生的巧克力结晶研讨会，以及用于数十名本科生和一名研究生的工业层状的研究机会。除了对需求旺盛的领域中这些学生的培训之外，研究的结果还将为开发新的结晶材料的发展奠定了基础，这些材料使用掺杂剂来延续，并有效拒绝药物和食品中的潜在有毒杂质。技术摘要：该职业奖由NSF材料研究部的固态和材料化学计划资助，在有机分子晶体的增长过程中为来宾就业（杂质或掺杂剂）的研究带来了一种新方法，具体侧重于中尺度动力学对固体解决方案形成的作用。尽管使用无机固体解决方案来控制整个历史（例如，在金属合金中），并且非杂色的晶格就业是一种主要的机制之一，在药品中保留了潜在的有毒过程杂质的主要机制，但有机固体解决方案在学术文献中很少在学术文献中。这些系统为持续调整晶体特性提供了潜力，这是由于客人在宿主的晶体晶格中的非化学计量学结合。该项目将传输理论与激光干扰相结合，以确定是什么驱动了晶体中具有各向异性客体融合结合的晶体选择性的丧失，以形象和研究浓缩溶液的晶体生长期间的客人的差异边界层，并解释了分子固体溶液形成的热力学平衡的动力学偏离。这些目标与一项教育和外展计划融合在一起，该计划将截然不同的学生与水晶工程的相关主题联系起来，同时为他们提供工业合作者的直接心态。该奖项反映了NSF的法定任务，并通过使用基金会的知识分子优点和更广泛的影响审查标准来评估我们是否被认为是诚实的支持。