| 535 |
|
% to determine short and long residence timescales and the relative populations of solvent molecules that can escape rapidly. |
| 536 |
|
We define the mobility of solvent molecules at the interface as |
| 537 |
|
\begin{equation} |
| 538 |
< |
M = \int_{0}^{T} 1 - C(t) dt, |
| 538 |
> |
P_{mobile} = \frac{1}{T}\int_{0}^{T} 1 - C(t) dt, |
| 539 |
|
\label{eq:mobility} |
| 540 |
|
\end{equation} |
| 541 |
< |
where T is the length of the simulation. |
| 541 |
> |
where T is the length of the simulation. If all solvent molecule originally entangled in the thiolate chains leave the interfacial layer during time T, $P_{mobile} = 1$. Conversely, if the solvent molecules remain completely entrenched within the chains, $P_{mobile} = 0$. |
| 542 |
|
In figure \ref{figure:res} we show that interfacial solvent mobility decreases as the percentage of long thiolate chains increases. |
| 543 |
|
|
| 544 |
|
|
