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This tool simultaneously calculates Henry’s coefficients of several n-alkanes for a nanoporous material. It is calculated using a pre-calculated ideal gas Rosenbluth weight and Temperature. The temperature used for the simulation is 573 K and the nanoporous materials used for this tool include IRMOF-1, IRMOF-10, IRMOF-16 and MFI_SI.
National Science Foundation (NSF)
Julian Umeh, Development of Simulation Tools on Nanohub as Learning Modules, Master Thesis, New Mexico State University, Las Cruces, New Mexico, December 2019. Major professor: Thomas Manz.
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