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exercises:2014_uzh_molsim:h2o_diff

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exercise:mm_uzh:h2o_diff [2014/05/31 18:05] talirzexercise:mm_uzh:h2o_diff [2014/05/31 18:05] talirz
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   - Plot $D_{PBC}$ as a function of $1/L$, where $L$ is the length of the edge of the simulation box.   - Plot $D_{PBC}$ as a function of $1/L$, where $L$ is the length of the edge of the simulation box.
   - Perform a linear fit of this curve to obtain the diffusion constant $D=D_{pbc}(L=\infty)$   - Perform a linear fit of this curve to obtain the diffusion constant $D=D_{pbc}(L=\infty)$
-  - Use equation (12) in the article to calculate the viscosity $\eta$ from the slope of $D_{PBC}(L)$.+  - Use equation (12) in the article to calculate the viscosity $\eta$ from the slope of $D_{PBC}(1/L)$.
   - Compare the results to the data in the paper.   - Compare the results to the data in the paper.
 </note> </note>
exercises/2014_uzh_molsim/h2o_diff.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1