Tags: metal organic frameworks (MOFs)

All Categories (1-10 of 10)

  1. Gibbs Adsorption Simulator

    10 Oct 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz

    Simulates the adsorption of gases using Gibbs ensemble

  2. NPT Simulator

    29 Aug 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz

    Calculate density and total energy of gas molecules using NPT ensemble

  3. Adsorption Energy Calculator

    23 Aug 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz

    Calculate the total energy of adsorbates as they move around a metal organic framework

  4. Surface Area Calculator

    25 Jul 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz

    Calculates the average surface of nano-porous materials

  5. Void Fraction Calculator

    25 Jul 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz

    Calculates the void fraction (pore volume) of nano-porous materials

  6. Mixed Gas Diffusion Calculator

    28 Jun 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz

    Simulates the diffusion of a gas mixture onto a metal organic framework

  7. Mixed Gas Adsorption Calculator

    28 Jun 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz

    This tool calculated the average adsorption of a gas mixture

  8. Gas Adsorption Calculator

    11 Jun 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz

    Simulates gas adsorption onto metal organic frameworks

  9. Gas Diffusion Coefficient in Metal Organic Frameworks

    28 May 2019 | | Contributor(s):: Julian Chinonso Umeh, Thomas A Manz

    Calculates gas self diffusion coefficient in metal organic frameworks

  10. Thomas A Manz

    Tom Manz is a Chemical & Materials Engineering faculty at New Mexico State University. His research group develops new computational chemistry methods and physical interaction models. He is the...

    https://nanohub.org/members/222347