This work presents new semi-analytical solutions for the combined fully developed electro-osmotic pressure-driven flow in microchannels of viscoelastic fluids, described by generalised Phan-Thien–Tanner model (gPTT) recently proposed Ferrás et al. (Journal Non-Newtonian Fluid Mechanics, 269:88–99, 2019). version PTT a function trace stress tensor—the Mittag–Leffler function—where one or two fit...

Qualitative molecular orbital theory is central to our understanding of the bonding and reactivity of molecules and materials across chemistry. Advances in computational technology and methodology, however, have made ab initio or density functional theory calculations a simpler alternative, offering reliable results on increasingly large systems in a reasonable time-scale without the need for c...

– We present a theory which accounts for the increase in interfacial tension of water due to the presence of 1:1 electrolyte. The agreement between the theory and experiment is excellent, extending all the way to relatively high salt concentrations of 1 M. For low concentrations of electrolyte the theory reduces to the Onsager-Samaras limiting law. Contrary to surfactant solutions, aqueous elec...

   In this study, linearized transport pore model (LTPM) is applied for modeling nanofiltration (NF) membrane separation process. This modeling approach is based on the modified extended Nernst-Planck equation enhanced by Debye-Huckel theory to take into account the variations of activity coefficient especially at high salt concentrations. Rejection of single-salt (NaCl) electrolyte is inve...

The influence of Coriolis body force, electro-magnetohydrodynamics (EMHD) and thermal radiative heat transfer on the Casson hybrid mixed convection nanofluid driven by an exponentially accelerated plate adjacent to a porous medium in rotating system is analyzed. Hybrid (Ag- Al2O3) Al2O3nanofluids are considered with ethylene glycol (EG) base fluid. Maxwell-Garnett model has been deployed derive...

It is shown that the Coulomb energy U of fully ionized ionic mixture can be written as a sum over partial contributions of ion species j: U = T ∑ j Nju(Γj , yj) (generalized linear mixing rule). In contrast to the traditional linear mixing rule ULM = T ∑ j NjuOCP(Γj), applicable for strong coupling, the partial contribution function u depends not only on Γj , but on an additional parameter yj =...

The behavior of a non-conductive quasi-planar lipid membrane in an electrolyte and in a static (dc) electric field is investigated theoretically in the nonlinear (Poisson–Boltzmann) regime. Electrostatic effects due to charges in the membrane lipids and in the double layers lead to corrections to the membrane elastic moduli, which are analyzed here. We show that, especially in the low salt limi...

We have performed a theoretical and experimental study of the three isomers of xylene, C6H4~CH3!2, adsorbed on Pd~111!. Using scanning tunneling microscopy ~STM!, we imaged the characteristic surface structures and investigated the molecular ordering for meta-, para-, and ortho-xylene adsorbed on Pd~111!. We used extended Hückel theory to predict the characteristic features of individual xylene...

Modelling of CO2 solubility in aqueous solutions potassium lysinate (LysK) is mainly hindered by scarcity experimental vapor–liquid equilibrium data and lack chemical constants associated to the reaction mechanism for CO2/LysK/H2O system. Therefore, Kent-Eisenberg (KE) correlation stands out from literature, being among most used approaches description partial pressure at different loadings. In...