Proceedings of the 2015 International Conference on Material Science and Applications

Adsorption and Precipitation of Organic Phosphonates onto the Calcite Stepped Surfaces

Authors
Wu Lei, Chun-Yu Chen, Ni Bai
Corresponding Author
Wu Lei
Available Online June 2014.
DOI
https://doi.org/10.2991/icmsa-15.2015.93How to use a DOI?
Keywords
Phosphonate, Calcite, Adsorption, Molecular Dynamic Simulation.
Abstract
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.
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Proceedings
2015 International Conference on Material Science and Applications (icmsa-15)
Part of series
Advances in Physics Research
Publication Date
June 2014
ISBN
978-94-62520-75-2
ISSN
2352-541X
DOI
https://doi.org/10.2991/icmsa-15.2015.93How to use a DOI?
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  -