两种MOF的潮湿环境下CO2吸附动力学模拟 - Simulation of CO2 Adsorption Dynamics by Two MOFs in a Humid Environment
本文总结了我们团队近期完成的一个小项目:使用Lammps模拟两种MOF(TUB75和TUB76)在潮湿环境下对CO2吸附作用的动力学。本模拟旨在解释为何TUB75在潮湿环境下仍能表现出优异的CO2吸附性能,并预测TUB76是否也具备类似性能。
This article summarizes a recent small project completed by our team:using Lammps to simulate the dynamics of CO2 adsorption by two MOFs (TUB75 and TUB76) in a humid environment. The simulation aims to explain why TUB75 exhibits excellent CO2 adsorption performance in a humid environment and to predict whether TUB76 has similar performance.
This article summarizes a recent small project completed by our team:using Lammps to simulate the dynamics of CO2 adsorption by two MOFs (TUB75 and TUB76) in a humid environment. The simulation aims to explain why TUB75 exhibits excellent CO2 adsorption performance in a humid environment and to predict whether TUB76 has similar performance.