SGER: Exploratory Research -- A Novel AC Impedance Model for Understanding Transport and Kinetic Limitations of Electrochemical Devices

SGER：探索性研究——一种用于理解电化学器件传输和动力学限制的新型交流阻抗模型

• 批准号: 0609914
• 负责人: Venkat Subramanian
• 金额: $ 3万
• 依托单位: Tennessee Technological University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-02-15 至 2007-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0609914&HistoricalAwards=false
• 关键词: SGER; Exploratory; Research; Novel; AC

ABSTRACTPI: Venkat Subramanian Institution: Tennessee Technological UniversityProposal Number: 0609914Title: (SGER) Exploratory Research A Novel AC Impedance Model for Understanding Transport and Kinetic Limitations of Electrochemical DevicesImproving the design, economy and operating range of electrochemical devices (batteries, fuel cells, super capacitors, sensors) is presently a high priority area as they are expected to play a vital role in the future for automobiles, power storage, military, mobile-station and space applications. Lithium-ion batteries (and similarly other batteries) lose their capacity with cycles. Various transport and reaction limitations restrict the cost effectiveness and utilization of Li-ion batteries and other electrochemical devices. AC impedance is a technique used by various researchers to understand electrochemical systems.Understanding and extracting useful information from AC impedance data can be a complex task. Typically circuit based models have been used by researchers to obtain effective resistance and capacitance of electrochemical systems. The main drawback with using the circuit approach is that it only gives lumped-parameters for the system of interest and does not involve all the meaningful quantitative system parameters (diffusion coefficient, rate constants, etc.). Rigorous physics based models for simulating AC impedance response involves solving multiple partial differential equations (PDEs) in multiple domains making the models prohibitive because of numerical and computation constraints. Though modeling Lithium-ion batteries involve multiple PDEs in multiple domains, this exploratory research proposal explores the possibility of developing PIs novel scheme for two PDEs to solve such systems. The research builds on the PIs past results in the area of mathematical modeling and computational methods for electrochemical systems and is an integrated effort to develop the next generation of high-efficient novel closed-form solutions to better understand electrochemical devices using AC impedance technique.Intellectual Merit - The PIs Numeric Symbolic Solution (NSS) is numerical in the spatial coordinate and closed-form in all the system parameters. The proposed schemes will help bridge the gap between a purely numerical solution and a rigorous analytical solution. Broader Impacts If the exploratory research is successful, then the mathematical solution scheme can be extended to multiple partial differential equations in multiple domains that govern the electrochemical behavior of various devices. These schemes could help predict transport and kinetic parameters and understand the limitations of Lithium-ion batteries, whose use in automobiles, power storage, etc. applications have potential benefits for the environment.

摘要：Venkat Subramanian机构：田纳西理工大学提案编号：0609914标题：（SGER）探索性研究一种新的交流阻抗模型，用于了解电化学装置的传输和动力学限制改进电化学装置的设计、经济性和操作范围（电池、燃料电池、超级电容器、传感器）目前是高度优先的领域，因为它们预计将在未来的汽车中发挥至关重要的作用，电力存储、军事、移动站和空间应用。 锂离子电池（以及类似的其他电池）随着循环而失去容量。 各种运输和反应限制限制了锂离子电池和其他电化学装置的成本效益和利用。交流阻抗是研究人员用来理解电化学系统的一种技术，从交流阻抗数据中理解和提取有用的信息是一项复杂的任务。研究人员通常使用基于电路的模型来获得电化学系统的有效电阻和电容。 使用电路方法的主要缺点是它只给出感兴趣的系统的集总参数，并且不涉及所有有意义的定量系统参数（扩散系数、速率常数等）。 用于模拟交流阻抗响应的基于严格物理的模型涉及求解多个域中的多个偏微分方程（PDE），由于数值和计算限制，使得模型难以实现。 虽然锂离子电池的建模涉及多个领域的多个偏微分方程，但本探索性研究方案探索了为两个偏微分方程开发PI新方案来解决此类系统的可能性。该研究建立在PI在电化学系统的数学建模和计算方法领域的过去成果的基础上，是开发下一代高效新颖的封闭形式解决方案的综合努力，以更好地理解使用交流阻抗技术的电化学设备。智力优点-PI的数值符号解（NSS）在空间坐标中是数值的，在所有系统参数中是封闭形式的。 所提出的方案将有助于弥合纯数值解和严格的解析解之间的差距。如果探索性研究取得成功，那么数学解决方案可以扩展到多个领域的多个偏微分方程，这些方程控制着各种器件的电化学行为。这些方案可以帮助预测运输和动力学参数，并了解锂离子电池的局限性，锂离子电池在汽车，电力存储等应用中的使用对环境具有潜在的好处。