Citation: Yu'ang Liu, Xiaohong Liu, Shu Li, Shihai Ye, Guoran Li, Tianying Yan. Computational Chemistry Design of the Experiment of Determining the Copper-Zinc Glavanic Battery Standard Electromotive Force[J]. University Chemistry, ;2023, 38(9): 227-233. doi: 10.3866/PKU.DXHX202211089 shu

Computational Chemistry Design of the Experiment of Determining the Copper-Zinc Glavanic Battery Standard Electromotive Force

School of Materials Science and Engineering, Nankai University, Tianjin 300350, China

Corresponding author: Xiaohong Liu, xhliu@nankai.edu.cn
Received Date: 27 November 2022

Based on the quantum chemical calculation software Gaussian 16, a computational chemistry design was carried out for the classical physical chemistry experiment “Determination of electromotive force”. The solvation free energy of Cu²⁺ and Zn²⁺ was calculated by density functional theory, and then the standard molar Gibbs free energy change of the cell reaction was computed through the thermodynamic cycle. The standard electromotive force of the Cu-Zn glavanic battery was further derived. The experiment aims to deepen students' understanding of the basic physical chemistry concept, such as standard molar Gibbs free energy, electrode potential and Nernst equation, to give full play to students' subjective initiative, and to cultivate students' abilities of experiment designing, practice and scientific thinking.
- Glavanic battery,
- Standard electromotive force,
- Thermodynamic cycle,
- Solvation free energy,
- Computational chemistry experiment
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