It is challenging to compute the partition function (Q) for systems with enormous configurational spaces, such as fluids. Recently, we developed a Monte Carlo technique (an energy partitioning method) for computing Q [ J. Chem. Phys. 2011 , 135 , 174105 ]. In this paper, we use this approach to compute the partition function of a binary fluid mixture (carbon dioxide + methane); this...

[1] Seinfeld JH. Air pollution: physical and chemical fundamentals. New York: McGraw Hill; 1975. p. 1–26. [2] Arthur CS. In: Measuring, monitoring, and surveillance of air pollution, vol. 3. New York: Academic Press; 1976. p. 183–305. [3] Tseng HH, Wey MY, Liang YS, Chen KH. Catalytic removal of SO2, NO and HCl from incineration flue gas over activated carbonsupported metal oxides. Carbon 2003;...

Adsorption characteristics of potentially toxic metals in single- and multi-metal forms onto ferronickel slag were evaluated. Competitive sorption of metals by ferronickel slag has never been reported previously. The maximum adsorption capacities of toxic metals on ferronickel were in the order of Cd (10.2 mg g(-1)) > Cu (8.4 mg g(-1)) > Zn (4.4 mg g(-1)) in the single-metal adsorption isotherm...

For the first time we apply a new method based on the mathematical derivation of some known isotherm from the Burr function which describes many birth-death (sorption-desorption) phenomena in ecology and economy. Therefore, in this study the experimental isotherm data of biosorption of Pb(II) onto algae was modeled to Langmuir, Hill-Sips, Brouers-Sotolongo, BrouersGaspard, and Redlich-Peterson ...

Parameters from single-component isotherm models were used in multicomponent isotherm models to predict the aqueous phase sorption of trichloroethylene (TCE) in the presence of tetrachloroethylene (PCE) in four zeolites, Tenax, and three natural solids. The Langmuir, the Polanyi-Dubinin, and the Freundlich or the Langmuir-Freundlich isotherm models were used to simulate single-component sorptio...

Because the partition coefficient is one of the most important parameters affecting microsegregation, the aim of this research is to experimentally analyse the partition coefficient in Al-Mg alloys. In order to experimentally measure the partition coefficient, a series of quenching experiments during solidification were carried out. For this purpose binary Al-Mg alloys containing 6.7 and 10.2 w...

BACKGROUND The lethal isotherm for radiofrequency catheter ablation of cardiac myocardium is widely accepted to be 50°C, but this has not been directly measured. The purpose of this study was to directly measure the tissue temperature at the edge of radiofrequency lesions in real time using infrared thermal imaging. METHODS AND RESULTS Fifteen radiofrequency lesions of 6 to 240 seconds in dur...

Polyaniline titanotungstate (PATiW) was synthesized by the sol-gel method. Adsorption isotherm studies of Cs from aqueous solution are described. Elemental Composition, chemical solubility, ion-exchange capacity (IEC) and pH titration are studied. Distribution coefficients (Kd) for ten metal ions have been determined. It was found that the polyaniline titanotungstate has high affinity and high ...

The inverse method is a numerical method for fast estimation of adsorption isotherm parameters directly from a few overloaded elution profiles and it was recently extended to adsorption isotherm acquisition in gradient elution conditions. However, the inverse method in gradient elution is cumbersome due to the complex adsorption isotherm models found in gradient elution. In this case, physicoch...