Introduction Background Examples Example 1 Problems Run Simulation References Credits Assessment Etomica Modules

${\displaystyle {\frac {\theta _{A}}{\theta _{B}}}={\frac {P_{A}}{P_{B}}}{\frac {K_{A}}{K_{B}}}}$
by simulating a mixture of two components (A and B) at log ${\displaystyle P_{A}}$ = log ${\displaystyle P_{B}}$ = -4.0, T = 1.0, with ${\displaystyle \epsilon _{A}=7.5}$ and ${\displaystyle \epsilon _{B}=5.0}$. In your analysis, you need to first show that ${\displaystyle K\propto e^{-\epsilon /kT}}$.
3. For a gas mixture where ${\displaystyle P_{A}=10\times P_{B}}$, what ratio of ${\displaystyle \epsilon _{A}/\epsilon _{B}}$ is necessary to achieve a 1:1 ratio of A:B in the adsorbed layer? Comment on how such an adsorbate might be used in gas separations.