The interface between a fluid and a static wall is a useful model for a chemically heterogeneous solid-liquid interface. In this work, we outline the calculation of the wall-fluid interfacial free energy (gamma(wf)) for such systems using molecular simulation combined with adsorption equations based on Cahn's extension of the surface thermodynamics of Gibbs. As an example, we integrate such an ...

We use the first-principles static and dynamic simulations to study the adsorption of acetic (CH(3)COOH) and trifluoroacetic (CF(3)COOH) acid on the TiO(2)(110) surface. The most favorable adsorption for both molecules is a dissociative process, which results in the two oxygens of the carboxylate ion bonding to in-plane titanium atoms in the surface. The remaining proton then bonds to a bridgin...

The amphipathic magnetic nanospheres were synthesized using C8 and polyethylene glycol as ligands. Their morphology, structure, and composition were characterized by transmission electron microscope, Fourier transform infrared, and elementary analysis. The prepared materials presented uniform sphere with size distribution about 200 nm. The magnetic characteristics of magnetic nanomaterials were...

Analyses were carried out for adsorption of a reactive dye RB5 onto chitin and chitosan under static and dynamic conditions in an air-lift reactor. Assays were conducted for the effect of the type of sorbent and its content in the reactor on adsorption capacity of sorbents examined. The sorbent’s concentration under static conditions and in the reactor reached 5 mg d.m./dm3. In all experimental...

Cross-linked cellulose microspheres (CL-CMs) were successfully prepared using an inverse crosslinking suspension method from a cellulose solution with sodium hydroxide/urea aqueous solution as a solvent and epichlorohydrin as the crosslinker. The effects of epichlorohydrin content on the appearance and dispersity, average pore volume, moisture content, and wet real density of CL-CMs were studie...

Poly(L-lactic acid) (PLLA) fibers have been extensively studied for various applications. In this work, PLLA and poly(vinyl alcohol) (PVA) were prepared by coelectrospinning to form composite nonwoven materials. The structures and diameter distribution of the electrospun PLLA/PVA composite nonwovens were examined by atomic force microscopy (AFM) and scanning electronic microscope (SEM). The wet...

Colloidal suspensions of plate-like particles undergo a variety of phase transitions. The predicted isotropic/nematic transition is often pre-empted by a sol/gel transition, especially in suspensions of the most commonly used natural swelling clay montmorillonite (MMT). A number of factors, including charge interactions, flexibility and salt concentration, may contribute to this competition. In...