Vapor-phase molecules are adsorbed at air-water interfaces to a much greater extent than can be explained by air-water partition coefficients, indicating that interface adsorption can play an important role, and this can be very important for environmental phenomena. On the basis of a statistical thermodynamic analysis, we separate the observable free energy of adsorption into a dimensionality ...

Various chemical models of ion adsorption are presented and discussed. Chemical models, such as surface complexation models, provide a molecular description of anion adsorption reactions using an equilibrium approach. Two such models, the constant capacitance model and the triple layer model, are described in the present study. Characteristics common to all the surface complexation models are e...

the present study was carried out to investigate the potential of carboxylate group functionalized multi-walled carbon nanotubes (mwcnt−cooh) adsorbent for the removal of methyl orange (mo) textile dye from aqueous solutions. the effects of ph, shaking time and temperature on adsorption capacity were studied; the contact time to obtain equilibrium at 298 ˚k was fixed at 25 min. the effect of te...

Design of highly efficient multifunctional reaction processes for energy production is one of the main focus areas of Chemical Engineering. This article presents multiscale simulation frameworks for heterogeneously catalyzed reactors wherein numerous synthesis steps are integrated for high efficiency biodiesel production. The goal is the modeling of transport-adsorption-reactiondesorption pheno...

The continuum based approaches don’t provide the correct physics in atomic scales. On the other hand, the molecular based approaches are limited by the length and simulated process time. As an attractive alternative, this paper proposes the Fixed Interfacial Multiscale Method (FIMM) for computationally and mathematically efficient modeling of solid structures. The approach is applicable to mult...

 In this research, a numerical modeling was utilized to calculate the stresses caused during thermal cycling in a functionally graded thermal barrier coating (FG - TBC). The temperature – dependent material response of this protective material was taken into account and the effects of thermal cycle and interface morphology of the ceramic / metallic layer in functionally graded coating system wa...

The effects of particle conformational changes on the kinetics and saturation coverage of irreversible macromolecular adsorption at liquid-solid interfaces are investigated by computer simulation of a modified random sequential adsorption model. In this model, macromolecules (modeled as disks of diameter a,) adsorb onto a surface at a rate k, . Once adsorbed, the particles spread symmetrically ...

In this work, adsorption kinetics were investigated in order to remove the acid blue 62 off the aqueous solutions using mesoporous silicate SBA-15 loaded with tannic acid (tannin-SBA-15). Nitrogen adsorption and desorption test (BET), X-ray diffraction (XRD) and Fourier transform infra-red spectroscopy (FT-IR) analysis characterize synthesized composite. The impacts of some parameters such as P...

Modeling of the high altitude portion of reentry vehicle trajectories with DSMC or statistical BGK solvers requires accurate evaluation of the boundary conditions at the ablating TPS surface. Presented in this article is a model which takes into account the complex ablation physics including the production of pyrolysis gases, and chemistry at the TPS surface. Since the ablation process is time ...

This study aimed to evaluate the efficiency of energy consumption and economic analysis of different watermelon cultivation systems in Fars Province of Iran. Watermelon production systems were classified into five systems, namely, custom tillage (group 1), conservation tillage (group 2), traditional planting (group3), semi mechanized planting (group 4), and mechanized planting (group 5). Data w...