Structure of a Mixture of Graphene Plates and Ionic Liquid 1-Octyl-3-methylimidazolium Hexafluoroborate
- 2 Downloads
We reported a molecular dynamics simulation study of a mixture of 1-octyl-3-methylimidazolium hexafluoroborate([C8MIN]+[PF6]‒), an ionic liquid, and pristine graphene. Our simulations were performed under various conditions, including several temperatures and distances between graphene plates. By studying the liquid structure of the ionic-liquid graphene mixture, we found that the transition for the ionic liquids entering the middle of two graphene plates should occur within 1.00 and 1.50 nm in the temperature range studied(300―600 K). We also studied the pair correlations between the graphene plates and the head and tail of the cation and the anion. Our study at the molecular level can aid in understanding the detailed molecular structure of the mixture.
KeywordsNanofluid Graphene Ionic liquid Molecular dynamic
Unable to display preview. Download preview PDF.
- Miyako E., Nagata H., Funahashi R., Hirano K., Hirotsu T., Chem-suschem., 2010, 2(8), 740Google Scholar
- Wang Z., Li F., Xia J., Xia L., Zhang F., Bi S., Shi G., Xia Y., Liu J., Li Y., Biosensors & Bioelectronics, 2014, 61(6), 391Google Scholar
- David V. D. S., Lindahl E., Hess B., Groenhof G., Mark A. E., Be-rendsen H. J. C., J. Comput. Chem., 2010, 26(16), 1701Google Scholar
- Center for Greenchemistry and Catalysis, Lonic Liquid, Product Presentation,1-Octyl-3-methylimidazolium Hexafluoroborate, https://doi.org/www.ionicliquid.org/product/Imidazolium/MIm/2014-04-03/52.html
- Cui W., Preparation and Performance of Electrolyte Containing Ionic Liquid for Li Ionic Batteries, Harbin Institute of Technology, 2010 Google Scholar
- Feng X., Ouyang M., Liu X., Lu L., Xia Y., He X., Energy Storage Materials, 2017, 24(10), 2450Google Scholar