Instrumentation for Chemical Characterization of Gas and Aerosol Chemistries in Reacting Flows

用于反应流中气体和气溶胶化学物质化学表征的仪器

• 批准号: 9800819
• 负责人: Michael Zachariah
• 金额: $ 8.62万
• 依托单位: University of Arizona
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1998
• 资助国家: 美国
• 起止时间: 1998-05-01 至 1999-02-08
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9800819&HistoricalAwards=false
• 关键词: Instrumentation; Chemical; Characterization; Gas; Aerosol

Abstract CTS-9800819 M.R. Zachariah, University of Arizona An atomistic simulation method will be used in order to understand and predict coalescence and growth of aerosol nanoscale particles. Exemplification will be performed for two component systems and particularly for metal oxides (silicon-dioxide and titanium-dioxide). This is an exploratory research for the application of the method to evaluate the fundamental thermodynamic properties of nanoparticles and particle formation mechanisms. The simulated ratios of coalescence of two clusters will be compared to available phenomenological models for sintering kinetics. A sensitivity analysis on the two-body potential parameters will be conducted in order to test the effect of the bond strength, ionic and covalent components on the sintering mechanism. Vapor-phase generation of metal-oxide nanoparticles has a multibillion-dollar production per year. If successful, this research will provide improved fundamental understanding and a predictive atomistic method for controlling the growth of the particle as a function of the thermophysical properties of the materials. ***

M.R. Zachariah，亚利桑那大学。一种原子模拟方法将用于理解和预测气溶胶纳米级粒子的聚结和生长。将举例说明两组分系统，特别是金属氧化物（二氧化硅和二氧化钛）。这是将该方法应用于评价纳米颗粒的基本热力学性质和颗粒形成机制的探索性研究。模拟的两个簇的合并比率将与现有的烧结动力学现象学模型进行比较。为了测试粘结强度、离子和共价组分对烧结机理的影响，将对两体电位参数进行敏感性分析。气相法生产金属氧化物纳米颗粒每年的产值达数十亿美元。如果成功，这项研究将为控制粒子的生长作为材料热物理性质的函数提供改进的基础理解和预测原子方法。* * *