to improve drug selectivity toward target cells, one interesting approach for drug delivery is to use polymer nanoparticles. a two-layered oniom becke3- lyp: uff calculation was carried out to study the structural and thermodynamic properties of the interaction between acetamide derivatives and the pca-peg-pca copolymers. the interaction enthalpies and the gibbs free energies between acetamide ...

The main low temperature p r o p e r t i e s of g l a s s e s a r e reviewed and analyzed i n terms of t h e "two l e v e l systemsv model. A new mechanism of i n t e r a c t i o n between f l u o r e s c e n t molecules and f l u c t u a t i n g s t r a i n f i e l d s c rea ted by t h e two l e v e l systems involving t h e concept of e l a s t i c quadrupoles is proposed i n view of exp la i...

an analytical equation of state by song and mason is developed to calculate the pvt properties ofmercury. the equation of state is based on the statistical-mechanical perturbation theory of hard convexbodies and can be written as a fifth-order polynomial in the density. there exists three temperaturedependentparameters in the equation of state; the second virial coefficient, an effective molecu...

in this study, a generalized equation is presented to calculate vapor pressure of pure substances as a function of reduced temperature, critical pressure, and acentric factor. with the presented model, vapor pressures have been calculated and evaluated with nist data bank for 70 pure substances for about 14000 data points, and the overall average absolute percentage deviation has been only 0.78...

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 ...