Influence of Multipolar and Induction Interactions on the Speed of Sound

Watanabe

2005

Int J Thermophys

The paper describes a mathematical model to compute equilibrium thermodynamic properties in the fluid phase of pure hydrocarbons with the aid of classical thermodynamics and statistical associating chain theories. In the present paper thermodynamic properties for propane, as an example of hydrocarbon substances, are calculated. To calculate the thermodynamic properties of real fluids, models based on the Lennard-Jones intermolecular potential were applied. To calculate the thermodynamic properties of real fluids with the aid of classical thermodynamics, Miyamoto-Watanabe (MW) equations, developed in terms of the Helmholtz energy were used. Analytical results obtained by statistical thermodynamics are compared with the MW model and show relatively good agreement.

Section: Results and Comparisons With Mw Modelmentioning

confidence: 94%

Section: Computation Of Thermodynamic Properties Of Statementioning

confidence: 99%

See 1 more Smart Citation

Statistical Approach to Calculate Thermodynamic Properties for Propane

Watanabe

2005

Int J Thermophys

“…The dilute gas dynamic viscosity for CLS model is written as [2,3,[14][15][16][17][18][19][20][21][22][23]:…”

Section: Thermodynamic and Transport Properties Of Statementioning

confidence: 99%

Thermodynamic and transport properties of fluids and solids in a Cu–Cl solar hydrogen cycle

Wang

Naterer

2016

J Therm Anal Calorim

Self Cite

Sustainable methods of clean fuel production are needed in the face of depleting oil reserves and to reduce carbon dioxide emissions. The technology of fuel cells for electricity production or the transport sector is already developed. However, a key missing element is a large-scale economical method of hydrogen production. The Cu-Cl thermochemical cycle is a promising thermochemical cycle to produce hydrogen. This paper focuses on a copper-chlorine (Cu-Cl) cycle and solar hydrogen production technology and describes the models how to calculate thermodynamic and transport properties. This paper discusses the mathematical model for computing the thermodynamic properties for pure substances and their mixtures such as CuCl in the solid phase with an aid of statistical thermodynamics and kinetic theory. The developed mathematical model takes into account vibrations of atoms in molecules and intermolecular forces. This mathematical model can be used for the calculation of thermodynamic properties of polyatomic crystals on the basis of the Einstein and Debye equations. We developed the model in the lowtemperature and high-temperature region. All analytical data are compared with experimental results, and these show good agreement. For the transport properties, we have used kinetic theory. For fluid phase, we have calculated viscosity and thermal conductivity on the basis of the Chung-LeeStarling kinetic model; for the solid phase, we have developed a model for calculations of thermal conductivity on the basis of electron and phonon contributions.

“…Statistical thermodynamics [10][11][12][13][14][15][16][17][18][19][20][21][22][23][24], on the other hand, calculates the properties of the state on the basis of molecular motions in a space and intramolecular interactions. The calculation of the thermodynamic functions of state is possible by making use of many statistical theories.…”

Section: Introductionmentioning

confidence: 99%

An Approach to Calculate Thermodynamic Properties of Mixtures Including Propane, n-Butane, and Isobutane

Watanabe

2005

Int J Thermophys

This paper discusses a mathematical model for computing the thermodynamic properties of propane, n-butane, isobutane, and their mixtures, in the fluid phase using a method based upon statistical chain theory. The constants necessary for computations such as the characteristic temperatures of rotation, electronic state, etc. and the moments of inertia are obtained analytically applying a knowledge of the atomic structure of the molecule. The paper presents a procedure for calculating thermodynamic properties such as pressure, speed of sound, the Joule-Thomson coefficient, compressibility, enthalpy, and thermal expansion coefficient. This paper will discuss, for the first time, the application of statistical chain theory for accurate properties of binary and ternary mixtures including propane, n-butane, and isobutane, in their entire fluid phases. To calculate the thermodynamic properties of LennardJones chains, the Liu-Li-Lu model has been used. The thermodynamic properties of the hydrocarbon mixtures are obtained using the one-fluid theory.