the simplified perturbed chain statistical associating fluid theory (spc-saft) equation of state (eos) was proposed to describe the thermodynamic properties of pure ionic liquids (ils). a set of spc-saft parameters for 2 ils was obtained by fitting the experimental liquid densities data over a wide range of temperature at atmospheric pressure. good agreement with experimental density data was o...

The syntheses of calix[4]arene dimelamines that are functionalized with alkyl, aminoalkyl, ureido, pyridyl, carbohydrate, amino acid and peptide functionalities, and their self-assembly with barbituric acid or cyanuric acid derivatives into well-defined hydrogen-bonded nanostructures are described. The thermodynamic stability of these hydrogen-bonded assemblies was studied by CD spectroscopy in...

First-derivative photochemically induced spectrofluorimetry (PIF-1D) is applied to the simultaneous determination of binary mixtures of 4 sulfonylurea herbicides in aqueous micellar samples. Synthetic binary mixtures of sulfometuronmethyl with chlorsulfuron, metsulfuron-methyl, and 3-rimsulfuron, respectively, are well resolved by using the zero-crossing point procedure. PIF-1D allows the deter...

New thermal diffusion coefficients of binary mixtures are measured for n-decane-n-alkanes and 1-methylnaphthalene-n-alkanes with 25 and 75 wt % at 25 degrees C and 1 atm using the thermogravitational column technique. The alkanes range from n-pentane to n-eicosane. The new results confirm the recently observed nonmonotonic behavior of thermal diffusion coefficients with molecular weight for bin...

This paper demonstrates the capabilities of the PFGC-MES equation of state (EOS) for calculating the thermodynamic properties in the superheated region for pure refrigerants. In addition the ability of this EOS is also tested for predicting the VLE behavior of binary mixtures. For pure compounds several properties in the superheated region are predicted. The calculated results and the experimen...

wax precipitate is one of the most serious issues the oil industry is currently facing, since it can cause some troubles such as increasing of the pressure losses in pipe which subsequently increases the required power for pumpage. to remove this problem, prediction of wax disappearance temperature (wdt) seems necessary. in this study, the pressure influence on the wax disappearance temperature...

Established strategies for validating QSAR models of binary mixtures of chemicals are not applicable to the most challenging case, which is the prediction of binary mixtures created by two compounds not present in the initial training set. In this study, we have addressed this challenge by introducing the “Everything Out” validation strategy where the external sets are deliberately formed by al...

The thermoreversible phase transition of poly(N-isopropylacrylamide) randomly labeled with a spin label, 4-amino-2,2',6,6'-tetramethylpiperidine 1-oxide (TEMPO), and a fluorescent dye, 4-(pyren-1-yl)butyl (PNIPAM-Py-T), in different H2O/MeOH mixtures was studied by turbidimetry, continuous-wave electron paramagnetic resonance spectroscopy (CW-EPR), and fluorescence spectroscopy. The macroscopic...

densities and viscosities of binary mixtures of methyl tert-butyl ether (mtbe) with 1-alkanols include 1-butanol, or +1-pentanol, or +1-hexanol, or +1-heptanol were measured as a function of composition from 293.15 to 308.15 k at atmospheric pressure. the temperatures studied were 293.15, 298.15, 303.15 and 308.15 k. the experimental results have been used to calculate the viscosity deviation d...