Thermophysical properties for components participating in Cu-Cl cycle

Abstract

Sustainable methods of clean fuel production are needed in all countries in the world in the face of depleting oil reserves and the need to reduce carbon dioxide emissions. The technology on the basis of fuel cells for electricity production or transport sector is already developed. However, a key missing element is a large-scale method of hydrogen production. The Cu-Cl combined thermochemical cycle is a promising thermochemical cycle to produce cheap hydrogen in large amounts. Especially is this process interested in combination with nuclear or thermal power plants. This paper focuses on a copper-chlorine (Cu-Cl) cycle and describes the models how to calculate thermodynamic and transport properties. This paper discusses the mathematical model for computing the thermodynamic properties for pure HCl and CuCl2. The developed mathematical model for solid phase 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 low temperature and high temperature region. All analytical data are compared with some experimental results and show good agreement. For solid phase we have developed model for calculation of thermal conductivity on the basis of electron and phonon contributions. For fluid phase we have calculated viscosity and thermal conductivity on the basis of Chung-Lee-Starling kinetic model. For the fluid phase we have developed expressions for thermodynamic properties obtained on the basis of statistical associating fluid theory (SAFT). All these models are based on the Lennard-Jones intermolecular potential function and the influence of SAFT. On the basis of statistical thermodynamics we have taken into account translation, rotation, internal rotation, vibration energy of molecules and atoms. To calculate the thermodynamic properties of Lennard-Jones chains, I have used the Liu-Li-Lu model.Sustainable methods of clean fuel production are needed in all countries in the world in the face of depleting oil reserves and the need to reduce carbon dioxide emissions. The technology on the basis of fuel cells for electricity production or transport sector is already developed. However, a key missing element is a large-scale method of hydrogen production. The Cu-Cl combined thermochemical cycle is a promising thermochemical cycle to produce cheap hydrogen in large amounts. Especially is this process interested in combination with nuclear or thermal power plants. This paper focuses on a copper-chlorine (Cu-Cl) cycle and describes the models how to calculate thermodynamic and transport properties. This paper discusses the mathematical model for computing the thermodynamic properties for pure HCl and CuCl2. The developed mathematical model for solid phase takes into account vibrations of atoms in molecules and intermolecular forces. This mathematical model can be used for the calculation of thermodynami...