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Citation: Jiageng Li, Putrama. 数值积分耦合非线性最小二乘法一步确定反应动力学参数[J]. University Chemistry, ;2025, 40(6): 364-370. doi: 10.12461/PKU.DXHX202407098 shu

数值积分耦合非线性最小二乘法一步确定反应动力学参数

Jiageng Li ,
Putrama

School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi'an 710119, China

Received Date: 24 July 2024
Revised Date: 18 September 2024

通过对反应速率方程进行数值积分获得浓度随时间变化的计算值，采用非线性最小二乘法将计算值与实验值进行拟合，形成准确快捷地获取反应动力学参数的方法。分别以简单反应和复杂反应为例，说明该方法的具体实施步骤。该方法可用于动力学相关内容的教学及动力学实验的数据处理，培养学生采用数学方法处理化学问题的能力。
- Kinetic parameters,
- Ordinary differential equation,
- Numerical integration,
- Least-square method
1. [1]
2. [2]
3. [3]
4. [4]
5. [5]
6. [6]
  Burés, J. Angew. Chem. Int. Ed. 2016, 55, 2028.
1. [1]
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