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Science of Co-Amorphous Molecular Glasses

共非晶分子玻璃科学

基本信息

批准号：
2105065
负责人：
Sindee Simon
金额：
$ 50.64万
依托单位：
North Carolina State University
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2021
资助国家：
美国
起止时间：
2021-09-01 至 2025-08-31
项目状态：
未结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=2105065&HistoricalAwards=false
关键词：
Science Co Amorphous Molecular Glasses

项目摘要

Non-Technical SummaryCo-amorphous molecular glasses are a new class of materials that are composed of two or more types of different small molecules. Combining two or more of these types of molecules into extended solid-state materials leads to co-amorphous molecular glasses that have better properties than the individual component systems. By investigating how parameters such as molecular size, shape, flexibility, and chemical interaction sites impact the properties of glasses made from binary mixtures of different types of molecules, researchers at North Carolina State University provide a fundamental understanding of co-amorphous molecular glasses. These insights and novel materials have the potential to advance the use of co-amorphous molecular glasses in pharmaceutics, energetics, agrichemicals, and personal care products. Advantages of using co-amorphous molecular glasses include, for example for pharmaceutics, high bioavailability and high stability during storage. The project, which is supported by the Solid State and Materials Chemistry program in the Division of Materials Research, also includes training of two graduate students and undergraduate researchers in cutting-edge research in glass chemistry and physics, thermal analysis, and rheology. Additionally, as part of this award, Profs. Simon and McKenna organize a one-week-long soft materials camp for junior high school students. It is called "Exploring Materials and Recycling" and leverages the longstanding summer engineering camp program developed and managed by The Engineering Place (TEP) of the North Carolina State University College of Engineering. Technical SummaryThis research, which is supported by the Solid State and Materials Chemistry program in the Division of Materials Research, focuses on a wide range of binary co-amorphous molecular glasses in order to develop a framework for the rational design of new glassy solids with improved properties. The role of molecular size, shape, and flexibility on co-amorphous glass formation, as well as the importance of the strength of and mismatches in specific interactions, are examined by calorimetry, rheology, and spectroscopy for glasses created by combinations of pharmaceutical materials, mock energetics, and small molecule additives or excipients. Major unanswered questions in the field of co-amorphous molecular glasses are addressed, including how dynamic, thermodynamic, and kinetic properties, including the glass transition temperature (Tg), crystallization rates, and glass stability, are interrelated and influenced by molecular structure and interactions. In addition, thermodynamic activity coefficient models are used to relate the molecular interactions and the synergistic increases in Tg that are often observed in co-amorphous glasses. The stability of the co-amorphous glass against crystallization is modeled and characterized in the framework of the time-temperature-transformation (TTT) diagram using extensions of classical models of nucleation and growth kinetics. The importance of the work is in providing fundamental new knowledge for the nascent field of molecular glass engineering that is anticipated to facilitate the rational design of new glassy solids that can be engineered on demand for a given function.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.

Co-非晶分子玻璃是由两种或多种类型的不同小分子组成的一类新材料。将这些类型的分子中的两种或更多种组合成扩展的固态材料导致具有比单个组分系统更好的性质的共非晶分子玻璃。通过研究分子大小、形状、柔韧性和化学相互作用位点等参数如何影响由不同类型分子的二元混合物制成的玻璃的性质，北卡罗来纳州州立大学的研究人员提供了对共非晶分子玻璃的基本理解。这些见解和新材料有可能推动共非晶分子玻璃在制药，能量学，农业化学品和个人护理产品中的应用。使用共-无定形分子玻璃的优点包括，例如对于药物，高生物利用度和储存期间的高稳定性。该项目得到材料研究部固态与材料化学项目的支持，还包括对两名研究生和本科生研究人员进行玻璃化学和物理、热分析和流变学前沿研究的培训。此外，作为该奖项的一部分，教授。西蒙和麦肯纳为初中生组织了一个为期一周的软材料夏令营。它被称为“探索材料和回收”，并利用了由北卡罗来纳州州立大学工程学院的工程场所（TEP）开发和管理的长期夏令营工程项目。技术摘要这项研究得到了材料研究部固态和材料化学项目的支持，重点研究了各种二元非晶分子玻璃，以便为具有改进性能的新型玻璃状固体的合理设计开发一个框架。的分子大小，形状和灵活性的作用，对共同的非晶玻璃形成，以及在特定的相互作用的强度和不匹配的重要性，检查量热法，流变学和光谱学的药物材料，模拟能量，和小分子添加剂或赋形剂的组合创建的玻璃。主要未回答的问题，在该领域的共同非晶分子玻璃的地址，包括动态，热力学和动力学性质，包括玻璃化转变温度（Tg），结晶速率和玻璃稳定性，是相互关联的，并受到分子结构和相互作用的影响。此外，热力学活度系数模型被用来关联的分子相互作用和协同增加的玻璃化转变温度，经常观察到的非晶玻璃。的稳定性的共同非晶玻璃对结晶的建模和其特征在于在时间-温度-转换（TTT）图的框架中使用经典模型的成核和生长动力学的扩展。这项工作的重要性在于为新兴的分子玻璃工程领域提供了基础性的新知识，预计将促进新玻璃状固体的合理设计，这些固体可以根据给定功能的需求进行工程设计。该奖项反映了NSF的法定使命，并被认为值得通过使用基金会的智力价值和更广泛的影响审查标准进行评估来支持。