calculate some thermodynamic properties of molten polymers including specific volume and isothermal compressibility (S.M. Hoseini, Physical Chemistry & Electrochemistry, 2 (2014) 56-65). This work extended that EOS to predict the volumetric properties of some molten ethylene copolymers including ethylene/1-octene, ethylene/1-butene (xethylene equal to 0.8543 and 0.563), ethylene/propene. The ab...

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...

The thermodynamic properties of fluids can be predicted using the global equations of state. Among these thermodynamic properties of fluids, we choose the densities of the liquid and vapor phases. This paper considers the application of the crossover model to the vapor-liquid rectilinear diameter of sulfurhexafluoride. We also present a comparison of the crossover model equation with ...

Supercritical fluids (SCFs) show promise in the separation of high molecular mass compounds as they are able to distinguish between the hydrocarbon backbone length and the type and position of the functional group present. In order to design such a separation process one needs to estimate the number of theoretical stages required and determine the column diameter and height, both of which requi...

At low temperatures the configurational phase space of a macroscopic complex system (e.g., a spin-glass) of N ∼ 10 interacting particles may split into an exponential number Ωs ∼ exp(const × N) of ergodic sub-spaces (thermodynamic states). It is usually assumed that the equilibrium collective behavior of such a system is determined by its ground thermodynamic states of the minimal free-energy d...

in order to shed more light on the effect of peripheral groups of porphyrin core intophysicochemical properties and dna binding behavior of porphyrins, we have chosen toinvestigate solution properties and calf thymus dna binding behavior of meso-tetrakis (4-nbenzyl-pyridyl) porphyrin (tbzpyp) and its mn (iii), co (iii), ni (ii) and cu (ii) complexesderivatives have been studied in thermodynamic...

The excess proton in water, H(+)(aq), plays a fundamental role in aqueous solution chemistry. Its solution thermodynamic properties are essential to molecular descriptions of that chemistry and for validation of dynamical calculations. Within the quasichemical theory of solutions those thermodynamic properties are conditional on recognizing underlying solution structures. The quasichemical trea...