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Experimental and Theoretical Mechanism Study on Emulsification and Demulsification of Lubricating Oil
Corresponding Author(s) : Xiaomin Sun
Asian Journal of Chemistry,
Vol. 26 No. 1 (2014): Vol 26 Issue 1
Abstract
The system model is first established by simplification and idealization and then the average binding energies are calculated using AM1 semi-empirical method and applying periodic boundary condition to this study. The results show that the system added to antirusts binding energy is much larger than that of demulsifier, so that the formation of the interfacial film is relatively stable, which easily leads to emulsification. While the binding energy of interfacial film formed by demulsifier is weak and the strength of interfacial film is lower, which has a good ability of demulsification.
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- J.J. Liu, The Application of Basic Quantum Chemistry, Beijing Higher Education Press, Beijing (2004).
- M.H. Lin, The Method and Application of Quantum Chemistry, Science and Technology Publishing Press, Beijing, 2004.
- W. Kohn, Overview of Density Fuctional Theory, In eds.: E.K.U. Gross and R.M. Dreizler, Density Functional Theory, Plenum Press, New York (1995).
- X. Qu, H. Wang, Q. Zhang, X. Shi, F. Xu and W. Wang, Environ. Sci. Technol., 43, 4068 (2009); doi:10.1021/es802835e.
- F. Xu, W. Yu, R. Gao, Q. Zhou, Q. Zhang and W. Wang, Environ. Sci. Technol., 44, 6745 (2010); doi:10.1021/es101794v.
- F. Xu, W.N. Yu, Q. Zhou, R. Gao, X.Y. Sun, Q.Z. Zhang and W.X. Wang, Environ. Sci. Technol., 45, 643 (2011); doi:10.1021/es102660j.
- F. Xu, H. Wang, Q.Z. Zhang, R.X. Zhang, X.H. Qu and W.X. Wang, Environ. Sci. Technol., 44, 1399 (2010); doi:10.1021/es9031776.
- Q. Zhang, W. Yu, R. Zhang, Q. Zhou, R. Gao and W. Wang, Environ. Sci. Technol., 44, 3395 (2010); doi:10.1021/es1004285.
- Q.Z. Zhang, S.Q. Li, X.H. Qu, X.Y. Shi and W.X. Wang, Environ. Sci. Technol., 42, 7301 (2008); doi:10.1021/es801599n.
- J.L. Sudmeier and S.J. Bell, J. Am. Chem. Soc., 99, 4499 (1977); doi:10.1021/ja00455a049.
- R.C. Bingham, M.J.S. Dewar and D.H. Lo, J. Am. Chem. Soc., 97, 1285 (1975); doi:10.1021/ja00839a001.
- L.P. Davis, R.M. Guidry, J.R. Williams, M.J.S. Dewar and H.S. Rzepa, J. Comput. Chem., 2, 433 (1981); doi:10.1002/jcc.540020412.
- M.J.S. Dewar, M.L. McKee and H.S. Rzepa, J. Am. Chem. Soc., 100, 3607 (1978); doi:10.1021/ja00479a058.
- M.J.S. Dewar, E.G. Zoebisch, E.F. Healy and J.J.P. Stewart, J. Am. Chem. Soc., 107, 3902 (1985); doi:10.1021/ja00299a024.
- M.J.S. Dewar and C.H. Reynolds, J. Comput. Chem., 7, 140 (1986); doi:10.1002/jcc.540070206.
References
J.J. Liu, The Application of Basic Quantum Chemistry, Beijing Higher Education Press, Beijing (2004).
M.H. Lin, The Method and Application of Quantum Chemistry, Science and Technology Publishing Press, Beijing, 2004.
W. Kohn, Overview of Density Fuctional Theory, In eds.: E.K.U. Gross and R.M. Dreizler, Density Functional Theory, Plenum Press, New York (1995).
X. Qu, H. Wang, Q. Zhang, X. Shi, F. Xu and W. Wang, Environ. Sci. Technol., 43, 4068 (2009); doi:10.1021/es802835e.
F. Xu, W. Yu, R. Gao, Q. Zhou, Q. Zhang and W. Wang, Environ. Sci. Technol., 44, 6745 (2010); doi:10.1021/es101794v.
F. Xu, W.N. Yu, Q. Zhou, R. Gao, X.Y. Sun, Q.Z. Zhang and W.X. Wang, Environ. Sci. Technol., 45, 643 (2011); doi:10.1021/es102660j.
F. Xu, H. Wang, Q.Z. Zhang, R.X. Zhang, X.H. Qu and W.X. Wang, Environ. Sci. Technol., 44, 1399 (2010); doi:10.1021/es9031776.
Q. Zhang, W. Yu, R. Zhang, Q. Zhou, R. Gao and W. Wang, Environ. Sci. Technol., 44, 3395 (2010); doi:10.1021/es1004285.
Q.Z. Zhang, S.Q. Li, X.H. Qu, X.Y. Shi and W.X. Wang, Environ. Sci. Technol., 42, 7301 (2008); doi:10.1021/es801599n.
J.L. Sudmeier and S.J. Bell, J. Am. Chem. Soc., 99, 4499 (1977); doi:10.1021/ja00455a049.
R.C. Bingham, M.J.S. Dewar and D.H. Lo, J. Am. Chem. Soc., 97, 1285 (1975); doi:10.1021/ja00839a001.
L.P. Davis, R.M. Guidry, J.R. Williams, M.J.S. Dewar and H.S. Rzepa, J. Comput. Chem., 2, 433 (1981); doi:10.1002/jcc.540020412.
M.J.S. Dewar, M.L. McKee and H.S. Rzepa, J. Am. Chem. Soc., 100, 3607 (1978); doi:10.1021/ja00479a058.
M.J.S. Dewar, E.G. Zoebisch, E.F. Healy and J.J.P. Stewart, J. Am. Chem. Soc., 107, 3902 (1985); doi:10.1021/ja00299a024.
M.J.S. Dewar and C.H. Reynolds, J. Comput. Chem., 7, 140 (1986); doi:10.1002/jcc.540070206.