Explore the OC re-absorption process on mineral particles

The combination of molecular dynamics simulations and meta dynamics methods can be used to determine the potential adsorption or desorption tendency of organic molecules and minerals by quantifying energy barrier of different reaction pathways. In our study, we conduct molecular dynamics simulations to explore the OC re-absorption process on mineral particles.

Reference: Liu X., Lan C., Zhu L., Yan C., Wang N., Chen H., Zheng G., Che Y., Yang Z., & Bao R.*(2024). Sediment resuspension as a driving force for organic carbon transference and rebalance in marginal seas. Water Research, 121672,