Molecular Dynamics Simulation of Effects of NH4Cl on the Properties of Lewis Acidic 1-Ethyl-3-Methyl-Imidazolium Chloride/Chloroaluminate Molten Salts

Guo Cai Tian; Ya Dong Li

doi:10.4028/www.scientific.net/AMR.791-793.183

Paper Titles

TiO₂ Nanotubes Modified with Polyelectrolyte Multilayers as a Drug Delivery and its Release Behavior
p.167

Determination and Correlation of Solubilities of [HBth [CH₃SO₃] in Binary Solvent of Ethyl Benzoate and Alcohol
p.171

Study of UV Curing Kinetics for Coating Containing Siloxane Modified Polyurethane-Acrylate
p.175

A Research on Release of Copper Ions and Panels in Shallow Submergence of Antifouling Paints with Nanoadditives
p.179

Molecular Dynamics Simulation of Effects of NH₄Cl on the Properties of Lewis Acidic 1-Ethyl-3-Methyl-Imidazolium Chloride/Chloroaluminate Molten Salts
p.183

Coating Binder Migration and Affected Parameters: Influence of Coating Process
p.187

Coating Binder Migration and Affected Parameters: Influence of Pigments and Base Paper
p.192

Orthogonal Optimization of Ultrasound-Assisted Ionic Liquid Transesterification of Corn Oil Biodiesel
p.196

Experimental Design of Removing Sulfur Dioxide from Industrial Flue Gas with Sodium Sulfide-Containing Waste Water
p.200

HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 791-793Molecular Dynamics Simulation of Effects of NH4Cl...

Molecular Dynamics Simulation of Effects of NH₄Cl on the Properties of Lewis Acidic 1-Ethyl-3-Methyl-Imidazolium Chloride/Chloroaluminate Molten Salts

Abstract:

Molecular dynamics simulation method is used to study the effect of NH₄Cl on the properties of Lewis acidic 1-ethyl-3-methyl-imidazolium chloride/chloroaluminate molten salts (molar ratio1:2) at the 300K. The dynamics and physical chemical properties such as diffusion coefficients, viscosity, conductivity of Lewis acidic [EmiCl/AlCl₃(molar ratio1:2) with different molar fraction of NH₄Cl are calculated. It is shown that the density increases firstly and reduces afterward, the conductivity decreases and viscosity increases with increasing of NH₄Cl content. The self-diffusion coefficient of [Emi⁺, NH₄⁺, Cl^- and AlCl₃ reduces, and the trend to AlCl₃ self-diffusion is the most obvious.

You might also be interested in these eBooks

View Preview

Info:

Periodical:

Advanced Materials Research (Volumes 791-793)

Pages:

183-186

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.791-793.183

Citation:

Cite this paper

Online since:

September 2013

Authors:

Guo Cai Tian, Ya Dong Li

Keywords:

Lewis Acidic Imidazolium Chloride/Chloroaluminate, Molecular Dynamics (MD) Simulation, NH₄Cl

Export:

RIS, BibTeX

Price:

Permissions CCC:

Request Permissions

Permissions PLS:

Request Permissions

Сopyright:

Citation:

References

[1] K.R. Seddon:J. Chem. Tech. Biotechnol. 1997, Vol. 68 (1997), pp.351-356.

Google Scholar

[2] T. Welton: Chem. Rev. Vol. 99 (1999), pp.2071-2102.

Google Scholar

[3] F Endres, D MacFarlane, and AP Abbott Electrodeposition from ionic liquids. WILEY-VCH Verlag, Weinheim (2008).

Google Scholar

[4] AP Abbott, G Frisch, J Hartley. Green Chem Vol. 13(2011), pp.471-481.

Google Scholar

[5] A.P. Abbott and K.J. McKenzie: Phys Chem Chem Phys Vol. 8 (2006), pp.4265-4279.

Google Scholar

[6] GC Tian, J Li, YX Hua The Chinese Journal of Process Engineering, Vol. 9(2009), pp.200-208.

Google Scholar

[7] GC Tian, J Li, YX Hua, Trans Nonferrous Met Soc China Vol. 20(2010), pp.513-520.

Google Scholar

[8] G.C. Tian,D. Wang, YD Li, Advanced Materials Research, Vol457-458(2012), pp.249-252.

Google Scholar

[9] G.C. Tian, D. Wang, YD Li. Advanced Materials Research, Vol430-432(2012), pp.547-550.

Google Scholar

[10] D.J., Andrade, E. S, Böes, H. Stassen: J Phys Chem B Vol. 106(2002), pp.13344-13351.

Google Scholar

[11] A.P. Lyubartsev, A. Laaksonen: Computer Physics Communications Vol. 128(2000), pp.565-589.

Google Scholar

[12] A.P. Lyubartsev, A. Laaksonen: J Phys Chem Vol. 100 (1996), pp.16410-16418.

Google Scholar

[13] M. Ratner: Applied science Vol. 23(1987), pp.173-236.

Google Scholar

[14] C.J. Margulis, H.A. Stern, B.J. Bern: J Phys Chem B Vol. 106 (2003), pp.12017-12021.

Google Scholar