Abstract
Simple models of the NaA and CaNaA lattice were developed and applied to the computation of the potential energy of interaction of Ar, Kr, Xe and CH 4 molecules with the zeolite lattice at many points in the large cavity. The corresponding potential reliefs have been constructed and are illustrated in this Paper. The spatial distribution of potential energy was used in molecular statistical computations of Henry constants and isosteric heats of adsorption in the low coverage region. Agreement between calculated and observed thermodynamic characteristics was achieved via selection of the most appropriate formula to calculate the constants of dispersion attraction.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
