the density of state and the natural bond orbital calculations were carried out to study theoxidation of co on au14 nano cluster through two different mechanisms and determining the bestmechanism for the reaction. chemisorption of o2 and co on the nano cluster led to change in energy,density of state and its thermodynamic properties. we calculated the energy band gap between thehighest occupied...

Beginning with a discussion of energy and exergy analysis definitions, the presented study provides a descriptive mathematical model for energy and exergy analysis for a co-current gas cooling tower. For this purpose using conservation laws of mass, energy and momentum, the variation of temperature and enthalpy of gas and liquid streams are predicted along the tower length and are used in order...

Heat recuperation is often used to improve the overall cycle efficiency of gas turbines. However, generally in small- scale gas turbines, it has a negative effect on turbine inlet temperature, pressure ratio and pressure drops, and thus decreases the overall cycle efficiency. In this paper, a thermodynamic model is performed to evaluate recovered heat as a function of heat exchanger effecti...

Heat recuperation is often used to improve the overall cycle efficiency of gas turbines. However, generally in small- scale gas turbines, it has a negative effect on turbine inlet temperature, pressure ratio and pressure drops, and thus decreases the overall cycle efficiency. In this paper, a thermodynamic model is performed to evaluate recovered heat as a function of heat exchanger effectivene...

From the energy efficiency's point of view in construction, buildings are open thermodynamic systems, where the dull and translucent walls swap energy with the environment, therefore they're not in thermal balance, this state suggest us the necessity to establish mechanisms to know their behavior before the external and internal variations. Because of that, the conception of a building, from th...

Thermodynamic properties of selected small and medium size molecules were calculated using harmonic and anharmonic vibrational frequencies. Harmonic vibrational frequencies were obtained by normal mode analysis, whereas anharmonic ones were calculated using the vibrational self-consistent field (VSCF) method. The calculated and available experimental thermodynamic data for zero point energy, en...