the objective of this study is synthesis and characterization of the chitosan-silica composite (csc) and use them as an adsorbent material for peat water treatment. the resulting composite was characterizedby fourier transform infrared (ftir) spectroscopy, scanning electron microscope (sem), x-ray diffraction(xrd), n2 adsorption-desorption isotherm and zeta potential. the sorption experiments w...

The degradation of fossil fuels and other non-renewable energy resources are the challenges faced by current and future generations. This trend requires humans to utilize, reuse, and transform energy efficiently, for the right applications and with the right timing. The low-grade heat from industry, automobiles and the sun could be used/reused to drive a liquid absorption system and solid adsor...

The reactants for ammonia synthesis have been studied, employing density functional theory (DFT), with respect to their adsorption on tantalum nitride surfaces. The adsorption of nitrogen was found to be mostly molecular and non-activated with side-on, end-on and tilt configurations. At bridging nitrogen sites (Ta-N-Ta) it results in an azide functional group formation with a formation energy o...

The polymer translocation into nanopores is generally facilitated by external driving forces, such as electric or hydrodynamic fields, to compensate for entropic restrictions imposed by the confinement. We investigate the dynamics of translocation driven by polymer adsorption to the confining walls that is relevant to chromatographic separation of macromolecules. By using the self-consistent fi...

The surface heterogeneity of multiwalled carbon nanotubes (MWCNTs) is studied on the basis of adsorption isotherms from dilute aqueous phenol and dopamine solutions at various pH values. The generalized Langmuir-Freundlich (GLF) isotherm equation was applied to investigate the cooperative effect of the surface heterogeneity and the lateral interactions between the adsorbates. The theoretical is...

ABSTRACT The main objective of this work is to investigate the adsorption of Pyrrole 2-carboxylic acid (PCA) from O, N and C sites on the surface of pristine and Ni doped B12N12 nano cage by using density functional theory (DFT). The results of adsorption energy indicate that the adsorption of PCA on the surface of B12N12 and NiB11N12 is exoth...

   Surfaces of synthesis cobalt disulfide has high electron density that could interact with polycyclic aromatic compounds by π-π stacking. Cobalt disulfide was synthesized with the hydrothermal method and characterized by field emission scanning electron microscopy, X-ray diffraction and energy-dispersive X-ray. Using tetracycline as a model analyte, the batch adsorption experiments were c...

The adsorption of malonic acid on the rice bran was studied under various conditions such as temperature, contact time, adsorbent dose and concentration of adsorbate. Batch adsorption experiments were conducted and the result showed that the adsorption was dependent on all these parameters. The adsorption process obeys the Langmuir and Freundlich adsorption isotherms. The adsorption capacity wa...

Density functional theory (DFT) and Fourth-order Möller-Plesset (MP4) perturbation theory calculations are performed to examine the possibility of hydrogen storage in V-capped VC(3)H(3) complex. Stability of bare and H(2) molecules adsorbed V-capped VC(3)H(3) complex is verified using DFT and MP4 method. Thermo-chemistry calculations are carried out to estimate the Gibbs free corrected averaged...

Both 1-amino-3-cyclopentene ACP and its protected form N-1-tert-butyloxycarbonylamino-3-cyclopentene BACP were adsorbed at the depassivated Si 100 surface using a hybrid calculation method in a Si197H108 cluster. It was found that the ACP molecule can potentially adsorb in at least eight different modes to the surface. The most stable one connects through both its carbon-carbon double-bond and ...