IMR OpenIR
A molecular dynamic investigation of viscosity and diffusion coefficient of nanoclusters in hydrocarbon fluids
A.; Stair Loya, J. L.; Jafri, A. R.; Yang, K.; Ren, G. G.
2015
Source PublicationComputational Materials Science
ISSN0927-0256
Volume99Pages:242-246
AbstractStraight chain alkanes modified by metal oxide nanoclusters have gained wide recognition in applications in tribology, energy and thermal storage. This paper investigates the system's rheological properties and diffusion coefficient in a reflection of the nanocluster's nanofluidic dispersibility and stability in the domain of thermal and diffusive properties. A computational model working on CuO nanoclusters in an alkane (C20H44) fluidic system has been developed at an atomic-molecular level. The simulation results are used to assess the outcomes of the suspension's fluidic stability and thermal diffusive capabilities. A COMPASS force field was employed, and periodic boundary conditions were defined to address the molecular dynamic (MD) simulation results in the dispersion system. The MD viscosity quantification using stress autocorrelation function shows a monotonic decay for 303-323 K temperatures. These results of autocorrelation calculations were used for validating viscosity results obtained from MD simulation. The viscosity of the CuO-Alkane system was found out to be 1.613 mPa s at 303 K. The diffusion coefficients were also calculated for the CuO-Alkane system using mean square displacement and it was found that at 303 K this system gives 4.302 E-11 m(2)/s rate of diffusion. (C) 2014 Elsevier B.V. All rights reserved.
description.department[loya, adil ; jafri, ali r. ; ren, guogang] univ hertfordshire, sch engn & technol, hatfield al10 9ab, herts, england. [stair, jacqueline l.] univ hertfordshire, dept pharm, hatfield al10 9ab, herts, england. [yang, ke] acad sinica, inst met res, shenyang 110015, peoples r china. ; ren, gg (reprint author), univ hertfordshire, sch engn & technol, hatfield al10 9ab, herts, england.
KeywordDiffusion Coefficient Nano-fluids Molecular Dynamics Viscosity Lammps Self-diffusion Tribological Properties Heat-transfer Oil Nanoparticles Enhancement Simulations Nanofluids Mixtures Paraffin
URL查看原文
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/73879
Collection中国科学院金属研究所
Recommended Citation
GB/T 7714
A.,Stair Loya, J. L.,Jafri, A. R.,et al. A molecular dynamic investigation of viscosity and diffusion coefficient of nanoclusters in hydrocarbon fluids[J]. Computational Materials Science,2015,99:242-246.
APA A.,Stair Loya, J. L.,Jafri, A. R.,Yang, K.,&Ren, G. G..(2015).A molecular dynamic investigation of viscosity and diffusion coefficient of nanoclusters in hydrocarbon fluids.Computational Materials Science,99,242-246.
MLA A.,et al."A molecular dynamic investigation of viscosity and diffusion coefficient of nanoclusters in hydrocarbon fluids".Computational Materials Science 99(2015):242-246.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[A.]'s Articles
[Stair Loya, J. L.]'s Articles
[Jafri, A. R.]'s Articles
Baidu academic
Similar articles in Baidu academic
[A.]'s Articles
[Stair Loya, J. L.]'s Articles
[Jafri, A. R.]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[A.]'s Articles
[Stair Loya, J. L.]'s Articles
[Jafri, A. R.]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.