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MDS: Materials with different gases adsorbed

Hydrogen adsorption at 77 K and 1 bar (physisorption only)


This image shows hydrogen adsorption at 77K and 1 bar (spacefilling) in a Metal Decorated Silsesquioxane (MD-Si8O12) matrix with 0% titanium and at low density. The cubic simulation cell has a side length of 50 Å and contains a periodic structure.

Hydrogen adsorption at 300 K and 10 bar (physisorption only)


This image shows hydrogen adsorption at 300K and 10 bar (spacefilling) in a Metal Decorated Silsesquioxane (MD-Si8O12) matrix with 0% titanium and at low density. The cubic simulation cell has a side length of 50 Å and contains a periodic structure.

Methane adsorption at 300 K and 10 bar (physisorption only)


This image shows methane adsorption at 300K and 10 bar (spacefilling at top and ball & stick at bottom) in a Metal Decorated Silsesquioxane (MD-Si8O12) matrix with 0% titanium and at low density. The cubic simulation cell has a side length of 50 Å and contains a periodic structure.

Carbon dioxide adsorption at 300 K and 10 bar (physisorption only)


This image shows carbon dioxide adsorption at 300K and 10 bar (spacefilling) in a Metal Decorated Silsesquioxane (MD-Si8O12) matrix with 0% titanium and at low density. The cubic simulation cell has a side length of 50 Å and contains a periodic structure.

Methane and Hydrogen equimolar binary mixture adsorption at 300 K and 10 bar (physisorption only)


This image shows methane and hydrogen equimolar binary mixture adsorption at 300K and 10 bar (spacefilling) in a Metal Decorated Silsesquioxane (MD-Si8O12) matrix with 0% titanium and at low density. The cubic simulation cell has a side length of 50 Å and contains a periodic structure.

Carbon dioxide and Hydrogen equimolar binary mixture adsorption at 300 K and 10 bar (physisorption only)


This image shows carbon dioxide and hydrogen equimolar binary mixture adsorption at 300K and 10 bar (spacefilling) in a Metal Decorated Silsesquioxane (MD-Si8O12) matrix with 0% titanium and at low density. The cubic simulation cell has a side length of 50 Å and contains a periodic structure.

Carbon dioxide and Methane equimolar binary mixture adsorption at 300 K and 10 bar (physisorption only)


This image shows carbon dioxide and methane equimolar binary mixture adsorption at 300K and 10 bar (spacefilling) in a Metal Decorated Silsesquioxane (MD-Si8O12) matrix with 0% titanium and at low density. The cubic simulation cell has a side length of 50 Å and contains a periodic structure.

Color Legend:

  • beige = silicon
  • dark gray = carbon
  • green = chlorine
  • light gray = titanium
  • red = oxygen
  • white = hydrogen

posted: May 2014.
updated: May 2014.