With the example of the capillary condensation of Lennard-Jones fluid in nanopores ranging from 1 to 10 nm, we show that the non-local density functional theory (NLDFT) with properly chosen parameters of intermolecular interactions bridges the scale gap from molecular simulations to macroscopic thermodynamics. On the one hand, NLDFT correctly approximates the results of Monte Carlo simulations ...

This work reports the adsorption of strontium from aqueous solutions onto PAN/zeolite composite. The strontium adsorption on the composite adsorbent was studied as a function of initial strontium concentration, pH of the solution, contact time and temperature. Adsorption isotherms like Langmuir, Freundlich, Dubinin-Radushkevich (D-R) and Temkin were used to analyze the equilibrium data at the d...

We present Monte Carlo Simulations using an equilibrium latticegas model for the electrosorption of Cl on Ag(100) single-crystal surfaces. Fitting the simulated isotherms to chronocoulometry experiments, we extract parameters such as the electrosorption valency γ and the next-nearest-neighbor lateral interaction energy φnnn. Both coverage-dependent and coverage independent γ were previously stu...

In this article, adsorption of some amino acids and their complexation with lanthanum(III) ion on carbon nanotube (MWCNT) by using of three relations Langmuir, Freundlich and Temkin isotherms was investigated. From this relations, Freudlich and Temkin relations predict good equilibrium diagram in isotherm condition. We could compute the theoretical constants by excel software. By considering th...

The need to develop effective technology for the treatment of liquid effluent dye-intensive industries such as textile, rubber, paint, and printing is synonymous with save life-threatening risks posed by these carcinogenic mutagenic pollutants on human aquatic lives. Isotherms adsorption crystal violet (CV) activated carbon (AC) synthesized from rice husk are presented herewith elucidate mechan...

Abstract This study reports results on the estimated magnitude of changes in P sorption isotherms clayey mud sediments when performed using (1) freeze-dried instead fresh sediment samples and (2) artificial sea water (ASW) ambient near-bottom water. The used differed their sorption. For isotherms, were equilibrated for 48 h solutions varying concentration whereafter amount sorbed or desorbed wa...

The experimental assessment and computer modeling of the water vapor adsorption isotherms roasted specialty coffee is addressed in this study. Thus, both beans ground medium (850 μm) fine (600 particle sizes were analyzed over a range activities between 0.1 0.9 at temperatures 25, 35, 45 °C. determined using dynamic dew point (DDI) method. was order to describe influence activity temperature on...

Chitin-based activated carbon (CAC) was prepared by a two-step process of carbonization and potassium carbonate chemical activation. The CAC characterized using scanning electron microscopy (SEM), N2 adsorption/ desorption, Fourier transform infrared (FT-IR) spectroscopy, X-ray photoelectron spectroscopy (XPS). adsorption performance for Orange II (O II) evaluated in terms contact time, tempera...

Force-area isotherms were obtained for hexadecanoic, octadecanoic, eicosanoic, and docosanoic acid monolayers at different compression rates. Equilibrium spreading pressures were determined both by monolayer collapse and by spreading from the bulk phase. Monolayers formed metastable phases at all pressures above their equilibrium spreading pressures and at all surface areas smaller than the sur...