it seems using the maxwell-stefan (m-s) diffusion model in combination with the vacancy solutiontheory (vst) and the single-component adsorption data provides a superior, qualitative, andquantitative prediction of diffusion in zeolites. in the m-s formulation, thermodynamic factor (г) isan essential parameter which must be estimated by an adsorption isotherm. researchers usually utilizethe simp...

the third order term in the density functional is required for study of an inhomogeneous fluid. this term can be chosen such that, the thermodynamic potential gives the correct bulk pressure. the density porofile of a hard sphere fluid near hard wall which is an inhomogeneous fluid is obtained and it is shown that, if the third order term is ignored, although an exact bulk direct correlation fu...

in this study, the response is derived, high-energy material 1-(4-nitrophenyl)-1h-tetrazole (npht) with boron nitridenano-cages in different conditions of temperature, density functional theory methods were studied. for this purpose, the material on both sides were geometrically optimized, then the calculation of the thermodynamic parameters were performed on all of them. the amount of δh, δs a...

The experimental determination of formation constant for interaction of two water soluble phthalocyanines,Cobalt (II) 4,4',4",4'"-tetrasulpho phthalocyanine (CoTsPc ) and Manganese(II) 4,4',4",4"-tetrasulphophthalocyanine (MnTsPc ) , with calf thymus DNA have been studied by UV-Vis spectrophotometric methodat lrnM phosphate buffer , pH 7.4 and at 5 different temperatures 20,25,30,35 and 400CC ....