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...

in this work, we have studied the solvent effects on values of gibbs free energy, enthalpy. entropy and dipolemoment in spread of solvents around anticancer thug of temreolomide that is an alighting agent. for thispurpose, the quantum mechanic calculations bawd on hanrertnick theory at the sto-36/3-2ith levels havebeen done. moreover, we have compared resulted thermodynamic values in gas phase ...

separation and capture of carbon dioxide from the flue gas of power plants in order to reduceenvironmental damages has always been of interest to researchers. in this study, aqueous solution ofmethylamine was used as an absorbent for co2 capture. in order to study this reaction, densityfunctional theory (dft) was employed at the level of b3lyp/6-311++g(d,p) by using theconductor-like polarizabl...

We propose a thermodynamic version of the Axelrod model of social influence. In one-dimensional (1D) lattices, the thermodynamic model becomes a coupled Potts model with a bonding interaction that increases with the site matching traits. We analytically calculate thermodynamic and critical properties for a 1D system and show that an order-disorder phase transition only occurs at T = 0 independe...

New evidence bearing upon the anomalous properties of xenon hexafluoride has been obtained via the ab initio molecular orbital approach applied successfully to the diand tetrafluorides in paper 1. Structures of both XeFt and XeF6 are governed by a stereochemically active lone pair. In the case of the square-pyramidal cation the F .. -Xe-Feq angle calculated for the bare ion is within 2° of the ...

Practical approximation schemes for calculating partition functions of torsional modes are tested against accurate quantum mechanical results for H(2)O(2) and six isotopically substituted hydrogen peroxides. The schemes are classified on the basis of the type and amount of information that is required. First, approximate one-dimensional hindered-rotator partition functions are benchmarked again...