In order to find more correlations between entropy and other related quantities, an analogical analysis is conducted between thermal science and other branches of physics. Potential energy in various forms is the product of a conserved extensive quantity (for example, mass or electric charge) and an intensive quantity which is its potential (for example, gravitational potential or electrical vo...

Passive states are defined as those states that do not allow for work extraction in a cyclic (unitary) process. Within the set of passive states, thermal states are the most stable ones: they maximize the entropy for a given energy, and similarly they minimize the energy for a given entropy. Here we find the passive states lying in the other extreme, i.e., those that maximize the energy for a g...

In the modeling of solids the free energy, the energy, and the entropy play a central role. We show that the free entropy, which is defined as the negative of the free energy divided by the temperature, is similarly important. The derivatives of the free energy are suitable thermodynamical driving forces for reversible (i.e. Hamiltonian) parts of the dynamics, while for the dissipative parts th...

This article extends the non-extensive entropy of Tsallis and uses this entropy to model an energy producing system in an absorbing heat bath. This modified non-extensive entropy is superficially identical to the one proposed by Tsallis, but also incorporates a “hidden” parameter that provides greater flexibility for modeling energy constraints. This modified non-extensive entropy also leads to...

In this study, high energy energy derivatives of TEX with different carbon-containing fullerenes at different temperature conditions were studied using density functional theory. For this purpose, the materials were first geometric optimized, then the thermodynamic parameters were calculated for all of them. Then, the process of changing the energy-dependent parameters such as specific heat cap...

The interaction of Fe2+ ion with Pyrazole was theoretically studied by Gussian 03, software at HF/(LanL2DZ+6-31G) and HF/ (LanL2DZ+6-31G (d)) levels in gas phase and solution. In this study acompartion between optimized structures of Pyrazole molecule in aspect of thermodynamicparameters such as enthalpy (H°), Gibbs free energy (G°) and entropy (S°) in presence of metallic ion(Fe2+), was perfor...

The necessity for decrease in consumption of conventional fuel, related energy and to promote the use of renewable sources such as biofuels, demands for the effective evaluation of the performance of engines based on laws of thermodynamics. Energy, exergy, entropy generation, mean gas temperature and exhaust gas temperature analysis of CI engine using diesel and karanja methyl ester blends at d...

The Helmholtz free energy, energy, and entropy of mixing of eight different models of dimethyl sulfoxide (DMSO) with four widely used water models are calculated at 298 K over the entire composition range by means of thermodynamic integration along a suitably chosen thermodynamic path, and compared with experimental data. All 32 model combinations considered are able to reproduce the experiment...

Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, wh...

This paper presents a theoretical explanation and test results that an amount of information would not increase infinitely in transmission via the mathematical model of the matter for deciphering original works of information entropy and the principle of thermodynamic entropy. The rate formula with energy is derived via retrieval speed testing the vast amount of data in DBMS and variables in ra...