Thermodynamic properties of a simple, confining model

Simple Functions for Predicting Thermodynamic Properties of Ammonia-Water Mixture (RESEARCH NOTE)

The engineering calculation and simulation of absorption refrigeration systems require the availability of simple and efficient functions for the determination of thermodynamic property values of the operating fluid. This work presents a set of five simple and explicit functions for the determination of the vapor - liquid equilibrium properties of the ammonia-water mixture. The functions are co...

STATISTICAL-MECHANICAL CALCULATION OF THERMODYNAMIC PROPERTIES OF ALBITE USING A TWO-DIMENSIONAL MODEL

Structural and thermodynamic properties of Alumina

We have investigated the electronic structure and thermodynamic properties of supercell of the -Al2O3 by first-principles calculation in framework of density functional theory (DFT) and full potential linearized augmented plane wave (FP-LAPW) with generalized gradient approximation (GGA) and by quasi-harmonic Debye model. Our calculated value for direct band gap of α-Al2O3 is 7.2 eV which i...

Modeling the Thermodynamic Properties of Solutions Containing Polymer and Electrolyte with New Local Composition Model

A new theory model based on the local composition concept (TNRF-modified NRTL (TNRF-mNRTL) model) was developed to express the short-range contribution of the excess Gibbs energy for the solutions containing polymer and electrolyte. An equation represented the activity coefficient of solvent was derived from the proposed excess Gibbs energy equation. The short-range contribution of interaction ...

New fingerprint of the entanglement on the thermodynamic properties

The realization that entanglement can affect macroscopic properties of bulk solid-state systems is a challenge in physics and Chemistry. Theoretical physicists often are considered the entanglement between nearest-neighbor (NN) spins and tried to find its characterizations in terms of macroscopic thermodynamics observables as magnetization and specific heat. Here, we focus on the entanglement b...