Register to reply

Adsorption Isotherms via Monte-Carlo-Simulations

by angura
Tags: adsorption, isotherms
Share this thread:
Feb18-10, 06:37 AM
P: 11
Hi there,

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 do I obtain them?

greetings angu
Phys.Org News Partner Physics news on
Organic photovoltaic cells of the future: Charge formation efficiency used to screen materials
Promising ferroelectric materials suffer from unexpected electric polarizations
Structure of certain types of beetle shells could inspire brighter, whiter coatings and materials

Register to reply

Related Discussions
Monte Carlo Sim Science & Math Textbooks 1
Monte Carlo method Programming & Computer Science 3
Monte Carlo and Inverse Monte Carlo - Good Sources for Self Study? General Physics 1
Correlating input and output in Monte Carlo simulations Set Theory, Logic, Probability, Statistics 4
Nanoparticle monte carlo Atomic, Solid State, Comp. Physics 3