An agricultural waste and eco-friendly biosorbent i.e. rice husk has been used as a cheap adsorbentfor the removal of methylene blue dye from aqueous solutions. The physical properties of the developedadsorbent were characterized using FTIR. The study was realized using batch experiments. The effectsof contact time, pH, initial dye concentration, biosorbent dose and temperature were investigate...

This paper presents the feasibility of removal of MB dye from aqueous solution using activated carbon prepared from Usoro fiber (Adenia lobata). FTIR analysis revealed that many functional groups were present on the surface of the adsorbent. The adsorption Kinetics was analyzed by pseudo first order, pseudo second order and intra particle diffusion kinetics models. Results showed that MB adsorp...

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...

the aim of this research is studying the effects of ge-doped on co adsorption on the outer and inner surfaces of (6, 0) zigzag model of boron nitride nanotube (bnnts) by using dft theory. for this purpose, eight models of co adsorption on the surfaces of bnnts are considered. at first step, all structures were optimized at b3lyp and 6-31g (d) standard base set and then the electronic structure,...

Objective (s): The present study aimed to assess the adsorption of fullerene C24 with Melphalan anticancer agent in a solvent phase (water) at the B3LYP/6-31G (d) theoretical level.Materials and Methods: Initially, the structures of Melphalan and fullerene complexes were optimized in four configurations. Afterwards, IR calculations and molecular orbital analysis were performed. In addition, som...

adsorption and desorption behavior of gd(iii) ionon macroporous weak acid resin (mwar) had been investigated.the influence of operational conditions such as contact time, initial concentration of gd(iii) ion, initial ph of solution and temperature on the adsorption of gd(iii) ion had been examined. experimental data were exploited for kinetic and thermodynamic evaluations related to the adsorpt...

We describe a latticegas model of adsorption on a square substrate in which an adsorbed p(2 X 2) phase disorders through an intermediate ~(2 x 2) phase as the coverage is lowered from l/4 of a monolayer. The occurrence of the low coverage ~(2 X 2) phase can be understood in terms of a relatively small interfacial free energy between pairs of the four types of ordered domains in the ~(2x2) phase...

Adsorption of biomolecules on surfaces is a perennial and general challenge relevant to many fields in biotechnology. A change of the Helmholtz free energy DeltaA takes place when a molecule becomes adsorbed out of a bulk solution. The purpose of our investigations is to explore routes for the calculation of DeltaA by molecular simulations. DeltaA can be obtained both by integration over the me...

We conduct grand canonical Monte Carlo simulations and free energy analysis for a gate adsorption phenomenon, which is experimentally observed in flexible frameworks of porous coordination polymers. Our calculations demonstrate that the stabilization provided by the guest adsorption drives the structural transition, surmounting the energy cost in creating the adsorption space due to the movemen...

We study nucleation in binary polymer blends in the presence of mesoscopic spherical particles using self-consistent field theory, considering both heterogeneous and homogeneous nucleation mechanisms. Heterogeneous nucleation is found to be highly sensitive to surface selectivity and particle size, with rather subtle dependence on the particle size. Particles that preferentially adsorb the nucl...