As models for substances adsorbed within amorphous solid matrices, we consider mixtures of spheres with either hard or ideal interactions where several (matrix) components are quenched and the remaining (adsorbate) components are equilibrated. We propose a density-functional theory, based on the exact zero-dimensional limit, which treats both matrix and adsorbate components on the level of the ...

The nature of layers of a series of poly(ethy1ene glycol) monoalkyl ethers (C,,Em) adsorbed on silica surfaces has been systematically investigated by means of null ellipsometry. The results show that adsorption remains low until a well-defined concentration ((=0.6-0.9)cmc) is exceeded. Then, as surfactants in the interfacial region start to self-absemble, it increases abruptly and plateau adso...

Several experimental evidences differentiating an insoluble monomolecular film just on the air/ water interface from an adsorbed film of soluble amphiphile solution are presented in order to suggest that the adsorbed film is not located at the air/solution interface. The difference between the two films can be observed by evaporation rates of water across the air/solution interface of three kin...

Ideal Adsorbed Solution Theory (IAST) is a common method for modelling mixture adsorption isotherms based on pure component isotherms. When the adsorbent has distinct sites, segregated version of IAST (SIAST) provides improved adsorbed loadings compared to IAST. We have adopted concept SIAST and applied it an explicit isotherm model which takes into account different sizes adsorbates: so called...

The separation of C3H4/C3H6 is one the most energy intensive and challenging operations, requiring up to 100 theoretical stages, in traditional cryogenic distillation. In this investigation, potential application two MOFs (SIFSIX-3-Ni NbOFFIVE-1-Ni) was tested by studying adsorption-desorption behaviors at a range operational temperatures (300–360 K) pressures (1–100 kPa). Dynamic adsorption br...

Adsorption of flexible oligomers into narrow cylindrical pores has been studied by means of several versions of classical density functional theory (CDFT) and Monte Carlo simulation. The adsorption process is interesting to study due to the competition between the entropic depletion of oligomers from the pores and the wall-oligomer attraction. It is also challenging to describe using current CD...

A modified two-dimensional van der Waals equation model was proposed for the prediction of multicomponent gas-solid adsorption isotherms from corresponding single-component adsorption equilibrium data. The model was used to predict adsorption isotherms of CO-CO2 mixtures and CO2-N2 mixtures on Cu(I)-NaY zeolite. Experimental adsorption equilibrium data of the two systems were compared with resu...

the concept of  -semihyperring is a generalization of semiring, a generalization of semihyperring and a generalization of      -semiring. since the theory of ideals plays an important role in the theory of  - semihyperring, in this paper, we will make an intensive study of the notions of noetherian, artinian, simple and   regular      -semihyperrings. the bulk of this paper...

The thermodynamics and kinetics of protein adsorption are studied using a molecular theoretical approach. The cases studied include competitive adsorption from mixtures and the effect of conformational changes upon adsorption. The kinetic theory is based on a generalized diffusion equation in which the driving force for motion is the gradient of chemical potentials of the proteins. The time-dep...

Due to the presence of strong static correlation effects and noncovalent interactions, accurate prediction of the electronic and hydrogen storage properties of Li-adsorbed acenes with n linearly fused benzene rings (n = 3-8) has been very challenging for conventional electronic structure methods. To meet the challenge, we study these properties using our recently developed thermally-assisted-oc...