We compute the thermal conductivity and diffusion coefficient of supercritical carbon dioxide along the 313 K isotherm using non-equilibrium molecular dynamics. Comparisons are made with experiment at four densities corresponding to pressures of 30, 70, 200 and 500 bar. Two intermolecular potential models for carbon dioxide are compared. INTRODUCTION In a previous paper (Wang and Cummings, 1988...

In the present work, the usefulness of almond peel as a sorbent material has been investigated for the removal of methylene blue from synthetic aqueous solutions in batch conditions. Isotherm of dye sorption was measured. The influence of different experimental parameters such as: almond peel mass, particles size, temperature, initial pH of solution and NaCl concentration on this isotherm was s...

This study investigates the capacity of granular activated carbon (GAC) for the storage of methane through the equilibrium adsorption. An experimental apparatus consist of a dual adsorption vessel was set up for the measurement of equilibrium adsorption of methane on GAC using volumetric technique (pressure decay). Experimental isotherms of methane adsorption were determined by the measurement ...

The effect of temperature on the equilibrium sorption of Pb 2+ from aqueous solution onto a low-cost electric furnace slag was investigated. In this paper, two-parameter isotherm models namely the Langmuir and the Freundlich and three-parameter isotherm model namely Redlich–Peterson were applied to describe the isotherms and to calculate their constants. The best estimation of the parameters of...

The present work investigates the equilibrium adsorption of Chrysene on multi-walled carbon nanotubes at 293, 303 and 313°K, and determines the equilibrium adsorption isotherms and thermodynamic parameters (ΔG, ΔH and ΔS). The values of ΔH and ΔG suggested that the adsorption of Chrysene onto MWCNTs was endothermic and nonspontaneous.The experimental data were analyzed using Langmuir, Freundlic...

We calculated the inherent structure of a model melt of zinc ~II! bromide over a wide range of densities. Stable, metastable, and unstable branches were obtained for the zero temperature pressure–volume isotherm of the inherent structure. The pressure–volume isotherm, the void distribution, and the structure factor were used to identify the spinodal, independent of any model equation of state. ...

We present the RUPTURA code (https://github.com/iraspa/ruptura) as a free and open-source software package (MIT license) for (1) simulation of gas adsorption breakthrough curves, (2) mixture prediction using methods like Ideal Adsorption Solution Theory (IAST), segregated-IAST explicit isotherm models, (3) fitting models on computed or measured data. The combination with RASPA enables computati...

Susceptibility of mild steel to corrosion attack has restricted its industrial applications, despite its numerous advantageous characteristics. Comparison of the inhibitive tendency of a mixture of zinc gluconate (ZG) and ferrous gluconate (FG) on the corrosion behavior of mild steel in acid and saline media was investigated using electrochemical and weight loss techniques. The FG:ZG ratio was ...

By allowing the surface charge of one surface to affect the adsorption equilibrium of the other, we establish the existence of a long-range attractive interaction between two identical surfaces in an electrolyte containing polyvalent counterions with a mean-field Poisson-Boltzmann approach. A Stern electrostatic condition from linearization of the mass-action adsorption isotherm is used to capt...

The potential use of Croatian natural zeolite clinoptilolite as alternative adsorbents for removal of enrofloxacin (ENRO) as model pollutant was studied in a batch system. The influence of contact time and initial ENRO concentration on the sorption process was investigated. The percentage removal of ENRO from aqueous phase decreased with an increase in initial concentration. The experimental da...