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Full-Text Articles in Physical Sciences and Mathematics
Theoretical Investigations Of Gas Sorption And Separation In Metal-Organic Materials, Tony Pham
Theoretical Investigations Of Gas Sorption And Separation In Metal-Organic Materials, Tony Pham
USF Tampa Graduate Theses and Dissertations
Metal--organic frameworks (MOFs) are porous crystalline materials that are synthesized from rigid organic ligands and metal-containing clusters. They are highly tunable as a number of different structures can be made by simply changing the organic ligand and/or metal ion. MOFs are a promising class of materials for many energy-related applications, including H2 storage and CO2 capture and sequestration. Computational studies can provide insights into MOFs and the mechanism of gas sorption and separation. Theoretical studies on existing MOFs are performed to determine what structural characteristics leads to favorable gas sorption mechanisms. The results from these studies can provide …
A Comparison Of Boltzmann And Gibbs Definitions Of Microcanonical Entropy For Small Systems, Randall B. Shirts
A Comparison Of Boltzmann And Gibbs Definitions Of Microcanonical Entropy For Small Systems, Randall B. Shirts
Faculty Publications
Two different definitions of entropy, S= klnW, in the microcanonical ensemble have been competing for over 100 years. The Boltzmann/Planck definition is that W is the number of states accessible to the system at its energy E (also called the surface entropy). The Gibbs/Hertz definition is that W is the number of states of the system up to the energy E (also called the volume entropy). These two definitions agree for large systems but differ by terms of order N-1 for small systems, where N is the number of particles in the system. For three analytical …
Comment On “Contact Conditions For The Charge In The Theory Of The Electrical Double Layer”, Douglas Henderson, L. B. Bhuiyan
Comment On “Contact Conditions For The Charge In The Theory Of The Electrical Double Layer”, Douglas Henderson, L. B. Bhuiyan
Faculty Publications
Exact results in any field, including statistical mechanics, are both aesthetically pleasing and very valuable in assessing theoretical approximations.