A new model for micellization beha..-ior of binary surfactant mixtures in solution is presented. A packing parameter, P* , has been introduced to describe the nonrandom mixing in mixed micelles. The significant feature of this model is that it considers asymmetric behavior ofmicellization in binary surfactant mixtures and predict5 the changes in the structures of mixed micelles with concentrati...

The acidity constants of 4-(2-pyridylazo)resorcinol (PAR, Scheme 1) in binary mixtures of methanol–water at 25 ◦C and an ionic strength of 0.1 M have been determined spectrophotometrically. DATa ANalysis (DATAN) program applied for determination of acidity constants. As percent of methanol increases in solvent mixtures the pKa constants also increased. There is linear relationship between acidi...

Optical electron transfer in the mixed-valence dimer [ (NH3)5Ru11-4,4'-bpy-Ru'11(NH3)5]5+ has been investigated in mixed solvents (acetonitrile + dimethyl sulfoxide) in order to probe. molecular aspects of solvent reorganization. The basis for extracting information at the molecular level lies in the phenomenon of selective solvation and the resulting ability to vary the composition of the dime...

Size dependence of solute diffusivity has been investigated using molecular dynamics simulations for a range of solute radii in a binary mixture consisting of solute and solvent species. We demonstrate that the Stokes-Einstein relationship between self diffusivity and solute radius breaks down over a range of solute-solvent size ratios. This is a result of the previously known Levitation Effect...

We have studied the self-assembly of a polybutadiene-b-poly(ethylene oxide) diblock copolymer in methanol, in cyclohexane, and in the partially miscible binary mixture of methanol + cyclohexane. Molecular probe experiments indicated that PB(89)-b-PEO(132) (subscripts indicate the number of monomers in each block) forms micelles with PEO cores and PB coronas in pure cyclohexane and micelles with...

Ionic liquids (ILs) have recently been introduced as green solvents and potential substitute to volatile organic compounds. This is due to their negligible vapour pressure, high thermal stability, and large liquid phase range. Moreover, their physical and chemical properties can be tuned accordingly by proper choice of cations and anions. Thus, researchers suggest replacing conventional amine b...

Adequate sampling of conformation space remains challenging in atomistic simulations, especially if the solvent is treated explicitly. Implicit-solvent simulations can speed up conformational sampling significantly. We compare the speed of conformational sampling between two commonly used methods of each class: the explicit-solvent particle mesh Ewald (PME) with TIP3P water model and a popular ...