Tags: RASPA

All Categories (1-12 of 12)

  1. Henry Coefficient Simulator

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

    Calculate Henry's constant of several sites on a nanoporous material

  2. Gibbs Adsorption Simulator

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

    Simulates the adsorption of gases using Gibbs ensemble

  3. NPT Simulator

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

    Calculate density and total energy of gas molecules using NPT ensemble

  4. 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

  5. Surface Area Calculator

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

    Calculates the average surface of nano-porous materials

  6. Radial Distribution Function Calculator

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

    This tools calculates the radial distribution function of gas molecules

  7. Void Fraction Calculator

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

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

  8. 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

  9. 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

  10. VLE Simulator

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

    Simulates the vapor liquid equilibrium of the first five Alkanes

  11. Gas Adsorption Calculator

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

    Simulates gas adsorption onto metal organic frameworks

  12. 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