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Henry Coefficient Simulator
Tools | 23 Oct 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Calculate Henry's constant of several sites on a nanoporous material
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Gibbs Adsorption Simulator
Tools | 10 Oct 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates the adsorption of gases using Gibbs ensemble
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NPT Simulator
Tools | 29 Aug 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Calculate density and total energy of gas molecules using NPT ensemble
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Adsorption Energy Calculator
Tools | 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
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Surface Area Calculator
Tools | 25 Jul 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Calculates the average surface of nano-porous materials
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Radial Distribution Function Calculator
Tools | 25 Jul 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
This tools calculates the radial distribution function of gas molecules
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Void Fraction Calculator
Tools | 25 Jul 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Calculates the void fraction (pore volume) of nano-porous materials
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Mixed Gas Diffusion Calculator
Tools | 28 Jun 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates the diffusion of a gas mixture onto a metal organic framework
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Mixed Gas Adsorption Calculator
Tools | 28 Jun 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
This tool calculated the average adsorption of a gas mixture
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VLE Simulator
Tools | 14 Jun 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates the vapor liquid equilibrium of the first five Alkanes
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Gas Adsorption Calculator
Tools | 11 Jun 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates gas adsorption onto metal organic frameworks
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Gas Diffusion Coefficient in Metal Organic Frameworks
Tools | 28 May 2019 | Contributor(s):: Julian Chinonso Umeh, Thomas A Manz
Calculates gas self diffusion coefficient in metal organic frameworks