How can we perform molecular dynamic simulation for interaction between Surfactant and nanoparticle at oil-water interface?
Hi Neetish,
Here are some related literatures which you may find useful. I came to know about your question through Dr. Gopalakrishnan Bulusu (my PhD supervisor).
Molecular Dynamics Simulations of Nanoparticles and Surfactants at Oil/Water Interfaces
A Qualitative Overview
http://pubs.acs.org/doi/abs/10.1021/bk-2011-1070.ch018
Molecular Dynamics Simulations of Surfactant Functionalized Nanoparticles in the Vicinity of an Oil/Water Interface
http://pubs.acs.org/doi/abs/10.1021/jp105355y
Molecular dynamics study of nanoparticles and non-ionic surfactant at an oil–water interface
http://pubs.rsc.org/en/content/articlelanding/sm/2011/c1sm05145h#!divAbstract
In these research papers they have used MPDyn package to perform simulations, it is freely available at the below link:
https://staff.aist.go.jp/w.shinoda/MPDyn/
Regards,
Bipin
I am not sure if MD is really the appropriate tool because of accessible length scales. I know that the group of Jens Harting at Eindhoven Technical University used lattice Boltzmann simulations with functionalized particles which then formed pickering emulsions etc.
https://www.tue.nl/en/university/departments/applied-physics/the-department/staff/detail/ep/e/d/ep-uid/20097255/ep-tab/4/
Frijters, S.C.J., Günther, F.S. & Harting, J.D.R. (2014). Domain and droplet sizes in emulsions stabilized by colloidal particles. Physical Review E, 90(4), 042307-1/8. in Web of Science Cited 2 times
Günther, F.S., Frijters, S.C.J. & Harting, J.D.R. (2014). Timescales of emulsion formation caused by anisotropic particles. Soft Matter, 10(27), 4977-4989. in Web of Science Cited 9 times
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