The rheological properties of model liquid n-hexane determined by non-equilibrium molecular dynamics

✍ Scribed by D. Brown; J.H.R. Clarke

• Publisher: Elsevier Science
• Year: 1983
• Tongue: English
• Weight: 466 KB
• Volume: 98
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(83)80246-2

✦ Synopsis

Molecular dynamics computer simulation has been used to study a dense liquid composed of mode: molecules resembling n-hexane under steadystate shear conditions. Significant shear thinning and shear-induced alignment are observed at high strain rates. The molecular model incorporates hindered internal rotations and it is shown that there is strong coupling between the stress developed at high strain rates and the distribution of conformers in the liquid.