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Viscosity of a surfactant micelle system
- realjun.zhou
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3 years 9 months ago #8615
by realjun.zhou
Viscosity of a surfactant micelle system was created by realjun.zhou
Hi all,
I am working on the surfactant micelle system, and the formation of worm-like micelles in the solution can greatly change the rheological properties of the solution. When I am searching for the coarse grained simulation works using Martini force field, I found two simulation work studying a similar system but get a different results of the viscosity, dx.doi.org/10.1063/1.4926422 and doi.org/10.1016/j.molliq.2018.06.025 . They all simulated a CATC/NaSal mixture in water at similar condition ( ~ 300 mM), but the computed viscosity of water in first paper is around one magnitude larger than the second. However, when I try to reproduce this system, and my results is comparable to the second.
Any one has experience in such kind of simulation, thanks in advance for the help.
I am working on the surfactant micelle system, and the formation of worm-like micelles in the solution can greatly change the rheological properties of the solution. When I am searching for the coarse grained simulation works using Martini force field, I found two simulation work studying a similar system but get a different results of the viscosity, dx.doi.org/10.1063/1.4926422 and doi.org/10.1016/j.molliq.2018.06.025 . They all simulated a CATC/NaSal mixture in water at similar condition ( ~ 300 mM), but the computed viscosity of water in first paper is around one magnitude larger than the second. However, when I try to reproduce this system, and my results is comparable to the second.
Any one has experience in such kind of simulation, thanks in advance for the help.
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- riccardo
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3 years 9 months ago #8621
by riccardo
Replied by riccardo on topic Viscosity of a surfactant micelle system
I have no direct experience with such systems and the computation of viscosity so cannot say more than this: If all conditions and way of computing the viscosity are the same across the 3 works - the previous 2 papers and your current work - then I would tend to believe more the computed viscosity which you and the 2018 paper obtain, since it is obtained by two independent groups. I would also try to understand what could have gone wrong in the computed viscosity of the 2015 paper.
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- realjun.zhou
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3 years 9 months ago #8626
by realjun.zhou
Replied by realjun.zhou on topic Viscosity of a surfactant micelle system
Thanks for you reply. One big difference is that all simulations in those two published papers are conducted in LAMMPS whole using the PPPM algorithm to compute the long range electric force. However, in my simulation, we use gromacs and do not consider the long range electrical force, exactly following the recommended the mdp file. Actually I am always wondering if we need to consider the long range electrical force using PME in GROMACS.
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