Tags: MOF

All Categories (1-7 of 7)

  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. Gas Adsorption Calculator

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

    Simulates gas adsorption onto metal organic frameworks