The objective of this work was to compare the effectiveness of four commercially available granular activated carbons (GACs); coconut (CGAC), wood (WGAC), lignite (LGAC) and bituminous (BGAC) for the removal of dichloromethane (DCM) from aqueous solution by batch process. Various parameters such as thermodynamics, kinetics, pH, concentration of adsorbate, dosages of adsorbent and competitive io...

A transfer matrix approach is used to conduct a thorough investigation of all possible adsorbate configurations or phases on terraces of various widths M including edge effects, and limited to firstand second-neighbor adsorbate–adsorbate interactions. Figures showing the configurations that occur within this model are presented for M 1⁄4 3 and 4, and detailed tables provide the phase sequences ...

We present a low-temperature scanning tunneling microscopy study of increasing coverages of 2,5-dichlorothiophenol, an asymmetrically halo-substituted aromatic thiol, on Cu(111). At low coverage, deprotonation of the thiol occurs spontaneously upon adsorption at 80 K. Albeit the low deposition temperature, we find the formation of adsorbate islands at low coverage, which coalesce into a well-or...

Molecular dynamics simulation is performed to study the growth mechanism of self-assembled monolayer in the AFM tip-assisted soft nanolithography such as in dip-pen nanolithography. We investigate how the droplet created around the tip spreads out to become a monolayer on the substrate. The previous diffusion model assumes that molecules diffuse on top of molecules already adsorbed on the subst...

Alveolar macrophages were treated with carbon blacks and adsorbates in order to evaluate the biologic effect of adsorbate, adsorbent and adsorbate-adsorbent complexes. Their capacity to phagocytize a subsequent challenge via the Fc-membrane receptor was quantified. Phagocytosis was suppressed in a dose-related manner with increasing concentrations of both carbon blacks and adsorbates. Carbon bl...

A novel method for including polarization effects within hybrid quantum mechanics/molecular mechanics (QM/MM) simulations of adsorbate-metal systems is presented. The interactions between adsorbate (QM) and metallic substrate (MM) are described at the MM level of theory. Induction effects are additionally accounted for by applying the image charge formulation. The charge distribution induced wi...

An analytical theory is presented for the damping of low-frequency adsorbate vibrations via resonant coupling to the substrate phonons. The system is treated classically, with the substrate modeled as a semi-infinite elastic continuum and the adsorbate overlayer modeled as an array of point masses connected to the surface by harmonic springs. The theory provides a simple expression for the rela...

There has been a long debate on how and where active sites are created for molecular adsorption catalysis in zeolites, which underpin many important industrial applications. It is well accepted that Lewis acidic (LASs) basic (LBSs) as pristine zeolites generally believed to be the extra-framework Al species residue anion (OH–) formed at fixed crystallographic positions after their synthesis. Ho...