Calcium ions have very strong affinity and binds effectively to alizarin red dye during staining of biomaterials. This promotes us to choose calcium hydroxide as a low cost adsorbent for the removal of alizarin red dye. Various parameters such as pH, concentration, dose of adsorbent, time, and temperature have been investigated. In addition, enthalpy, entropy, free energy and activation energy ...

The study examined corrosion inhibition of corrosion inhibition of 5-methyl-2H-imidazol-4-carboxaldehyde and 1H-Indole-3-carboxaldehyde on mild steel in acidic medium using weight loss and Density Functional Theory (DFT) methods. DFT calculations were carried out at B3LYP/6-31+G** level of theory in aqueous medium on the molecular structures to describe electronic parameters. The values of ther...

the effective parameters of (5, 0) and (5, 5) single-wall carbon nanotubes during the interaction with carbon dioxide as sensors are determined. the interaction of carbon dioxide  molecules with internal and external walls of the nanotubes is studied using gaussian 03 coding by density functional theory (dft) at the b3lyp/6-311g level of theory. co2 rotation around tube axles vertically and par...

adsorption of bovine serum albumin (bsa) onto calcium hydroxyl apatite (ha), ca10po4(oh)2, has been studied by ultra violet (uv) spectroscopy. the adsorption isotherms of bsa onto the ha surface at 291.7 k and 303.2 k were satisfactorily presented by langmuir equation and the evaluated parameters are reported. the specific surface area of ha has been measured by the bet method. the obtained val...

in this work, the effects of as-doped on the adsorption of oxygen gas on the outer and inner surface ofboron nitride nanotube (bnnts) is investigated. the structural parameters, quantum properties involving:bond length, bond angle, homo-lumo orbital, gapenergy, electron affinity, electronegativity, chemicalpotential, global hardness, global softness and nmr parameters of bnnts are calculated at...

We present a study of the adsorption of two peptides at the octane-water interface. The first peptide, Lac21, exists in mixed monomer-tetramer equilibrium in bulk solution with an appreciable monomer concentration. The second peptide, Lac28, exists as a tetramer in solution, with minimal exposed hydrophobic surface. A kinetic limitation to interfacial adsorption exists for Lac28 at moderate to ...

The study examined corrosion inhibition of corrosion inhibition of 5-methyl-2H-imidazol-4-carboxaldehyde and 1H-Indole-3-carboxaldehyde on mild steel in acidic medium using weight loss and Density Functional Theory (DFT) methods. DFT calculations were carried out at B3LYP/6-31+G** level of theory in aqueous medium on the molecular structures to describe electronic parameters. The values of ther...

In this investigation, the influence of doping graphene with silicon in the adsorption of alanine amino acid was inspected computationally. For this purpose, the structures of pure graphene, silicon doped graphene, alanine and 10 derived products of the alanine reaction with pure and silicon doped nano-adsorbents were optimized geometrically. Afterwards, the values of adsorption energy, formati...