Hi there,(adsbygoogle = window.adsbygoogle || []).push({});

I'm having trouble understanding, have adsorption isotherms are determined via Monte-Carlo simulations.

What I've learned so far is:

- you do a "typical" Monte-Carlo run with translations, rotations and insertions/deletions

- the insertion/deletion probability is (mostly) determined by a fixed value for the chemical potential

- with this fixed value you eventually get an average number of sorbarte particles, so that you could theoretically (after some more simulations for other chem. potentials) plot the sorbate loading in dependence of the chemical potential.

But how do I get to the pressure corresponding to that chemical potential now?

I always thought, one assumes, that the system is in (fictious) contact with an ideal gas and because that gas must have the same chemical potential in equilibrium, you can calculate the pressure.

But the formula for that is:

[tex]\mu = \mu_{0} + RT ln(\frac{p}{p_{0}}) [/tex]

with some unknown "reference" pressures and potentials...how do I obtain them?

greetings angu

**Physics Forums - The Fusion of Science and Community**

Dismiss Notice

Join Physics Forums Today!

The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

# Adsorption Isotherms via Monte-Carlo-Simulations

Can you offer guidance or do you also need help?

Draft saved
Draft deleted

Loading...

Similar Threads - Adsorption Isotherms Monte | Date |
---|---|

I Anyone knows V-Sorb 2800 BET surface area analyzer principle | Dec 13, 2016 |

I Boltzmann distribution: isothermal atmosphere error? | Apr 18, 2016 |

Difference between Binding Energy and Adsorption Energy | Aug 25, 2013 |

Free energy change during adsorption | May 8, 2013 |

How does the adsorption energy vary with the number of layers in an Al(111) surface? | Apr 28, 2008 |

**Physics Forums - The Fusion of Science and Community**