All Outputs (3)

Nonlinear shear of entangled polymers from nonequilibrium molecular dynamics (2019)
Journal Article
Anwar, M., & Graham, R. S. (2019). Nonlinear shear of entangled polymers from nonequilibrium molecular dynamics. Journal of Polymer Science Part B: Polymer Physics, 57(24), 1692-1704. https://doi.org/10.1002/polb.24904

This work aims to improve the use of Molecular Dynamics simulations of Kremer-Grest chains to inform future developments of models of entangled polymer dynamics. We perform non-equilibrium molecular dynamics simulations, under shear flow, for well en... Read More about Nonlinear shear of entangled polymers from nonequilibrium molecular dynamics.

Characterising droplet breakup rates of shear-thinning dispersed phase in microreactors (2019)
Journal Article
Wong, V., Loizou, K., Lau, P., Graham, R. S., & Hewkandamby, B. N. (2019). Characterising droplet breakup rates of shear-thinning dispersed phase in microreactors. Chemical Engineering Research and Design, 144, 370-385. https://doi.org/10.1016/j.cherd.2019.02.024

A two-phase flow predictive model with the integration of conservative level-set method (LSM) and Carreau-Yasuda constitutive equation was developed herein. The LSM was chosen as a potential interface capturing scheme for elucidating the interfacial... Read More about Characterising droplet breakup rates of shear-thinning dispersed phase in microreactors.

Understanding flow-induced crystallisation in polymers: a perspective on the role of molecular simulations (2019)
Journal Article
Graham, R. S. (2019). Understanding flow-induced crystallisation in polymers: a perspective on the role of molecular simulations. Journal of Rheology, 63(1), 203-214. https://doi.org/10.1122/1.5056170

Flow induced crystallisation in polymers is an important problem in both fundamental polymer science and industrial polymer processing. The key process of flow-induced nucleation occurs on a very rapid timescale and on a highly localised lengthscale... Read More about Understanding flow-induced crystallisation in polymers: a perspective on the role of molecular simulations.