This project investigated how the distance between sodium ions and the CO
32-:H
2O ratio influences the Na
2CO
3 hydrate’s ability to absorb CO
2. I used Materials Studio to build the model and calculate the free energy of reactants and products, based on which the reaction energy change could be calculated according to the thermodynamic cycle. The main finding of our research, which will be presented in a journal paper, is that a silica powder soaked in Na
2CO
3 solution has the best ability to absorb CO
2 when the CO
32-:H
2O ratio is 1:5. This experience opened a gate to research for me, and inspired my enthusiasm for molecular dynamics.