We have used a variational approach to calculate some thermodynamic properties of the quasi-one dimensional liquid 3He such as the energy, entropy, free energy, equation of state and heat capacity at finite temperature. We have employed the Lennard-Jones potential as the inter-atomic interaction. We have seen that the total energy increases by increasing both temperature and density....

 In this paper, the performance of carbon nanocone as an ideal adsorbent and sensing material for tetryl was investigated by density functional theory. For this aim, the structures of tetryl, carbon nanocone and their complexes were optimized geometrically. Afterwards, IR and FMO computations were done on them. The obtained thermodynamic parameters showed the interaction of car...

The present study deals with the contribution of the surface atomic layer to the specific heat of nanocrystals. In the case of small phases with comparable number of bulk and surface atoms, the variation of heat capacity with respect to that of infinitely large phase is significant. To evaluate this variation, in the framework of the classical Debye model, we introduce surface excess heat capac...

Heat capacity (Cp) is one of several major thermodynamic quantities commonly measured in proteins. With more than half a dozen definitions, it is the hardest of these quantities to understand in physical terms, but the richest in insight. There are many ramifications of observed Cp changes: The sign distinguishes apolar from polar solvation. It imparts a temperature (T) dependence to entropy an...

The temperature T may be expressed as the rate of energy increase per unit increase in the state uncertainty under no-work conditions. The consequences of such a choice for heat capacities are explored. I show that the ratio of the total thermal energy E to kT is the multiplicity exponent ~log–log derivative of the multiplicity! with respect to energy, as well as the number of base-b units of m...