exercises:2014_uzh_molsim:h2o_diff
Differences
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| Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
| exercise:mm_uzh:h2o_diff [2014/05/31 18:04] – talirz | exercise: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 in $D_{PBC}(L)$. | + | - 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. | ||
| </ | </ | ||
exercises/2014_uzh_molsim/h2o_diff.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1