Adsorption and Precipitation of Organic Phosphonates onto the Calcite Stepped Surfaces
Wu Lei, Chun-Yu Chen, Ni Bai
Available Online June 2014.
- https://doi.org/10.2991/icmsa-15.2015.93How to use a DOI?
- Phosphonate, Calcite, Adsorption, Molecular Dynamic Simulation.
- The inhibition of calcite growth in the presence of seven phosphonates (AMP~ DTPMP) was investigated by means of molecular dynamic simulation in industrial water environment. It has been found that the phosphonic molecules can energetically interact well with the calcite (104) stepped surfaces at the stepped dihedral sites. Furthermore, the strength of adsorption is DTPMP > HDTMP > TDTMP > EDTMP > NTMP > NDP > AMP based on the binding energy including strong electrostatic interactions between the oxygen atom in phosphonic functional groups and the calcium ions of the calcite (104) surface, and the formation of hydrogen bond. The results indicate that the phosphonic group number and the length of the backbone methylene chain play an important role in inhibitor effectiveness.
- Open Access
- This is an open access article distributed under the CC BY-NC license.
Cite this article
TY - CONF AU - Wu Lei AU - Chun-Yu Chen AU - Ni Bai PY - 2014/06 DA - 2014/06 TI - Adsorption and Precipitation of Organic Phosphonates onto the Calcite Stepped Surfaces BT - 2015 International Conference on Material Science and Applications (icmsa-15) PB - Atlantis Press SP - 511 EP - 515 SN - 2352-541X UR - https://doi.org/10.2991/icmsa-15.2015.93 DO - https://doi.org/10.2991/icmsa-15.2015.93 ID - Lei2014/06 ER -