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Systems will be analyzed

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phd

Mind Map by Antonio Duarte G, updated more than 1 year ago

	Created by Antonio Duarte G about 9 years ago

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Resource summary

Systems will be analyzed

Simple fluids adsorbed in nano-structured porous materials
1. regular confinement
  1. Zeolites
    1. Argon
      1. Integral Equation Theory
      2. Grand-Canonical Monte Carlo
      3. Molecular Dynamics
  2. Molecular Crystal of nanotubes
    1. Hydrogen
      1. Integral Equation Theory
      2. Grand-Canonical Monte Carlo
      3. Molecular Dynamic
Self-assembly fluids under confinement
1. amorphous confinement
  1. Porous Glass
    1. Imperio-Reatto SA-LR Fluid
      1. Grand Canonical Monte Carlo
      2. Molecular Dynamics
      3. Integral Equation Theory: ROZ
2. regular confinement
  1. Slit Pore
    1. Ionic Liquid
      1. Molecular Dynamics
    2. Simplified SA-LR Model
      1. Integral Equation Theory: RISM
      2. Molecular Dynamics

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