When simulating protein adsorption behavior, decisions must first be made regarding how the protein should be oriented on the surface. To address this problem, we have developed a molecular simulation program that combines an empirical adsorption free energy function with an efficient configurational search method to calculate orientation-dependent adsorption free energies between proteins and ...

In this work we have evaluated the H2O and CO2 adsorption characteristics of Lewatit VP OC 1065 in view of the potential application of solid sorbents in post combustion CO2 capture. Here we present single component adsorption isotherms for H2O and CO2 as well as co-adsorption experiments. It was concluded that the sorbent material shows a high affinity in the adsorption of H2O. The adsorption ...

The energy profile, which is the energy of the adsorbed phase as a function of loading, is essential for characterizing the equilibrium behavior of adsorbents. The energy of the adsorbed phase is measured directly by calorimetry or indirectly by differentiating adsorption isotherms at constant loading. The adsorption isotherm and energy profile are sufficient for the determination of thermodyna...

The adsorption of hydrogen on structurally well defined PdAu-Pd(111) monolayer surface alloys was investigated in a combined experimental and theoretical study, aiming at a quantitative understanding of the adsorption and desorption properties of individual PdAu nanostructures. Combining the structural information obtained by high resolution scanning tunneling microscopy (STM), in particular on...

The adsorption of cellulases onto fibers may be one of the most important factors affecting the enzymatic reaction between cellulases and fibers. This study investigated the adsorption kinetics involved, using isothermal adsorption equations. Cellulose binding domains (CBDs) were isolated from a commercial cellulase, and their role in the adsorption and enzymatic reaction was evaluated. Approxi...

In polymer chromatography, chain molecules are separated by molecular weight, size, and chemical composition due to adsorption and exclusion in nanoporous substrates. Three regimes of separation are distinguished depending on the adsorption strength and the pore size. In the regime of size exclusion chromatography, the adsorption energy is weak and the separation is entropy-driven with larger m...

The presence of arsenic in drinking water is one of the greatest threats to public health. The aim of this experimental investigation was to study the removal efficiency of As(v) from water by application of iron-impregnated activated carbon(Fe-AC). Coating of activated carbon with iron salt was carried out by impregnation method and thermochemical reactions with using of 100 mM FeCl3 solution....

When compressive strain is applied to a single-layered material, the layer generally ripples along the third dimension to release the strain energy. In contrast, such a rippling effect is not favored when it is under tensile strain. Here, using first-principles density-functional calculations, we show that molecular adsorption on boron-doped graphene (BG) can be largely tuned by exploiting the ...

The electrosorption behaviour of non-ionic surfactant: N-decanoyl-N-methylglucamine on mercury electrode in 1 mol dm−3 NaClO4 solution was determined. The values of the relative surface excess were determined on the basis of double layer differential capacity. A set of parameters of maximal adsorption and the constants of Frumkin, modified Flory-Huggins and virial adsorption isotherms were obta...

Diuron and amitrole adsorption from aqueous solution on an activated carbon fiber and an activated carbon cloth were studied as a function of temperature. Diuron adsorption was greater than that of amitrole and increased with rising temperature, whereas amitrole adsorption decreased when the temperature increased. Endothermicity of diuron adsorption was due to an increase in the planarity and d...