Detailed Chemical Kinetic Modeling of the Homogeneous Chemical Nucleation of Nanoparticles

纳米颗粒均匀化学成核的详细化学动力学模型

• 批准号: 0087315
• 负责人: Mark Swihart
• 金额: $ 37.02万
• 依托单位: SUNY at Buffalo
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2000
• 资助国家: 美国
• 起止时间: 2000-11-15 至 2004-10-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0087315&HistoricalAwards=false
• 关键词: Detailed; Chemical; Kinetic; Modeling; Homogeneous

AbstractProposal Title: Detailed Chemical Kinetic Modeling of the Homogeneous Chemical Nucleation of nanoparticlesProposal Number: CTS-0087315Principal Investigator: Mark SwihartInstitution: SUNY BuffaloThe objective of this proposal is to construct mechanistic models of chemical reactions for use in the prediction of cluster formation leading to the production of particle nuclei. The major challenge is constructing mechanistic models is the extreme complexity created by accounting for all possible reactions, products, and reactive intermediates. Automatic generation of reaction mechanisms will be used to deal with the complexity. A system will be developed to convert a set of reactants and rules by which they react into a detailed chemical mechanisms with rate parameters. The PIs plan to focus on silicon deposition because this system is of importance in the microelectronics industry and because some experimental data on this system are available for comparison with simulations. This approach will be employed to predict silicon nanoparticle contaminant formation, which is a leading cause of yield loss, in semiconductor processing. This project will be a collaboration between the PI and co-PI (Linda Broadbelt) at Northwestern University. This work could lead to a more general predictive description of a particle formation. Model validation will be performed with limited data available in the literature. This work may be useful in predicting the effects for changing operating conditions on particle formation and contamination with the potential to increase yields of semiconductor materials.

摘要提案标题：纳米粒子均匀化学成核的详细化学动力学模型提案编号：CTS-0087315主要研究员：Mark Swihart机构：纽约州立大学布法罗分校该提案的目的是构建化学反应的机理模型，用于预测导致生产的簇形成的粒子核。 主要挑战是构建机械模型，因为考虑所有可能的反应、产物和反应中间体而产生的极端复杂性。 自动生成反应机制将用于处理复杂性。 将开发一个系统，将一组反应物和反应规则转换为具有速率参数的详细化学机制。 PI 计划重点关注硅沉积，因为该系统在微电子行业中非常重要，并且该系统的一些实验数据可用于与模拟进行比较。 该方法将用于预测硅纳米粒子污染物的形成，这是半导体加工中产量损失的主要原因。 该项目将由西北大学的 PI 和联合 PI (Linda Broadbelt) 合作完成。 这项工作可能会导致对粒子形成的更普遍的预测描述。 模型验证将使用文献中可用的有限数据进行。 这项工作可能有助于预测改变操作条件对颗粒形成和污染的影响，并有可能提高半导体材料的产量。