Topological indices are the real number of a molecular structure obtained via molecular graph G. Topological indices are used for QSPR, QSAR and structural design in chemistry, nanotechnology, and pharmacology. Moreover, physicochemical properties such as the boiling point, the enthalpy of vaporization, and stability can be estimated by QSAR/QSPR models. In this study, the QSPR (Quantitative St...

Reverse micellar systems are nanofluids with unique properties that make them attractive in high selectivity separation processes, especially for biological compounds. Understanding the phase behavior and thermodynamic properties of these nanosystems is the first step in process design. Separation of components by these nanosystems is performed upon contact of aqueous and reverse micellar phase...

Recent years have seen a tremendous progress in the microscopic theoretical treatment of surfaces and processes on surfaces. While some decades ago a phenomenological thermodynamic approach was dominant, a variety of surface properties can now be described from first principles, i.e. without invoking any empirical parameters. Consequently, the field of theoretical surface science is no longer l...

A database of thermodynamic properties is developed, which extends a previous database of glycolysis and tricarboxylic acid cycle by adding the reactions of the pentose phosphate pathway. The raw data and documented estimations of solution properties are made electronically available. The database is determined by estimation of a set of parameters representing species-level free energies of for...

A database of thermodynamic properties is developed, which extends a previous database of glycolysis and tricarboxylic acid cycle by adding the reactions of the pentose phosphate pathway. The raw data and documented estimations of solution properties are made electronically available. The database is determined by estimation of a set of parameters representing species-level free energies of for...

In this study, the equations obtained non-iteratively are presented for moist air thermodynamic properties as a function of dry-bulb temperature and relative humidity. In this regard, an artificial neural network (ANN) was performed by using MATLAB software. In the ANN, dry-bulb temperature and relative humidity were specified as inputs, and water vapor saturation and partial pressures, wet-bul...

Published data from pyrrhotine-vapour equilibrium experiments are used to make inferences concerning the high-temperature thermodynamic mixing properties of pyrrhotine. Darken's quadratic formalism provides the justification for plotting activity of sulphur data against ( l X ) 2, where X is used in Fel_x S to express the composition of non-stoichiometric pyrrhotine. Such plots show that the th...

The thermodynamic surlace of R134a is expressed in terms of a 32-term modified Benedict· Webb-Rubin (MBWR) equation of state. Coefficients for this equation and for the ancillary equations representing the saturated liquid and vapor densities and the vapor pressure are presented. Temperatures are given on the new International Temperature Scale· of 1990 (lTS 90). The MBWR coefficients were obta...