IJESD 2015 Vol.6(4): 300-304 ISSN: 2010-0264
DOI: 10.7763/IJESD.2015.V6.607
DOI: 10.7763/IJESD.2015.V6.607
Probing the Inhibitory Mechanism of Calcite Precipitation by Organic Phosphonates in Industrial Water Cooling System
Mingzhu Xia and Chunyu Chen
Abstract—The effect of three phosphonic acids (ethylene diamine tetra (methylene phosphonic acid), EDTMP; hexamethylene diamine tetra (methylene phosphonic acid), HDTMP; and diethylene triamine penta (methylene phosphonic acid), DTPMP on the growth of CaCO3 has been investigated by pH curve method (pHCM). The result shows the inhibitor effectiveness: DTPMP > EDTMP > HDTMP. Meanwhile, the interaction of three phosphonic acids with the calcite (104) surface has been also studied by means of molecular dynamic simulation under the periodic boundary condition in industrial water environment. The results indicate that strong electrostatic interactions between the oxygen atom in phosphonate functional groups and the Ca2+ of the calcite (104) face play a dominant role in their adsorption. For the calcite (104) surface, the binding energy has a sequence in agreement with the pHCM experiment. The weakest inhibition of CaCO3 is HDTMP because of the only one phosphonate group in contact well with the surface.
Index Terms—Phosphonate, pH curve method, inhibition, molecular dynamic simulation.
Mingzhu Xia is with the Department of Chemistry, Nanjing University of Science and Technology, Nanjing, PR China (e-mail: dong7321@ 163.com).
Chunyu Chen is with the Department of Metallurgy and Material Engineering, Jiangsu University of Science and Technology, Zhangjiagang, PR China (e-mail: ccyzhj1214@163. com).
Index Terms—Phosphonate, pH curve method, inhibition, molecular dynamic simulation.
Mingzhu Xia is with the Department of Chemistry, Nanjing University of Science and Technology, Nanjing, PR China (e-mail: dong7321@ 163.com).
Chunyu Chen is with the Department of Metallurgy and Material Engineering, Jiangsu University of Science and Technology, Zhangjiagang, PR China (e-mail: ccyzhj1214@163. com).
Cite:Mingzhu Xia and Chunyu Chen, "Probing the Inhibitory Mechanism of Calcite Precipitation by Organic Phosphonates in Industrial Water Cooling System," International Journal of Environmental Science and Development vol. 6, no. 4, pp. 300-304, 2015.
General Information
- ISSN: 2010-0264 (Print); 2972-3698 (Online)
- Abbreviated Title: Int. J. Environ. Sci. Dev.
- Frequency: Bimonthly
- DOI: 10.18178/IJESD
- Editor-in-Chief: Prof. Richard Haynes
- Managing Editor: Ms. Cherry L. Chen
- Indexing: Scopus (CiteScore 2022: 1.4), Google Scholar, CNKI, ProQuest, EBSCO, etc.
- E-mail: ijesd@ejournal.net
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