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Sorption Parameters (sorption + parameter)

Distribution by Scientific Domains

Chemistry	50%

Selected Abstracts

Effect of Heterogeneity on Radionuclide Retardation in the Alluvial Aquifer Near Yucca Mountain, Nevada

GROUND WATER, Issue 3 2001
S. Painter
The U.S. Department of Energy is currently studying Yucca Mountain, Nevada, as a potential site for a geological high-level waste repository. In the current conceptual models of radionuclide transport at Yucca Mountain, part of the transport path to pumping locations would be through an alluvial aquifer. Interactions with minerals in the alluvium are expected to retard the downstream migration of radionuclides, thereby delaying arrival times and reducing ground water concentrations. We evaluate the effectiveness of the alluvial aquifer as a transport barrier using the stochastic Lagrangian framework. A transport model is developed to account for physical and chemical heterogeneities and rate-limited mass transfer between mobile and immobile zones. The latter process is caused by small-scale heterogeneity and is thought to control the macroscopic-scale retardation in some field experiments. A geostatistical model for the spatially varying sorption parameters is developed from a site-specific database created from hydrochemical measurements and a calibrated modeling approach (Turner and Pabalan 1999). Transport of neptunium is considered as an example. The results are sensitive to the rate of transfer between mobile and immobile zones, and to spatial variability in the hydraulic conductivity. Chemical heterogeneity has only a small effect, as does correlation between hydraulic conductivity and the neptunium distribution coefficient. These results illustrate how general sensitivities can be explored with modest effort within the Lagrangian framework. Such studies complement and guide the application of more detailed numerical simulations. [source]

Preparation and sorption studies of ,-cyclodextrin/epichlorohydrin copolymers

JOURNAL OF APPLIED POLYMER SCIENCE, Issue 5 2010
Dawn Y. Pratt
Abstract ,-Cyclodextrin (,-CD) copolymer materials were synthesized by reacting different mole ratios (1 : 15, 1 : 25 and 1 : 35) of ,-CD with epichlorohydrin (EP). The products were characterized using N2 porosimetry, Fourier Transform Infrared spectroscopy, 13C CP-MAS NMR spectroscopy, thermogravimetry analysis, elemental (C and H) analysis, and scanning electron microscopy. The sorption properties in aqueous solution were studied using p-nitrophenol (PNP) with UV,Vis spectrophotometry. Sorption isotherms were obtained at pH 4.6 and three temperatures (22, 35, and 45°C) and at pH 10.3 at 22°C. The isotherms were analyzed using the BET isotherm model and the sorption parameters provided estimates of the surface area, sorption capacity, and isosteric heats of sorption for each polymeric material. The estimated surface areas are as follows: 58.2, 52.1, and 90.1 m2/g at pH 4.6. At pH 10.3, the estimated surface areas are 44.2, 40.5, and 58.5 m2/g, respectively. The removal efficiency of PNP by the polymeric materials ranged between 4.5 and 58% for the conditions investigated whereas the isosteric heats ranged between ,24.5 and ,13.6 kJ/mol. Removal efficiencies were concluded to strongly depend on the sorption conditions such as pH, temperature, and the relative amounts of sorbent and dye in aqueous solution. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010 [source]

Separation of chiral mixtures in real SMB units: The FlexSMB-LSRE®

AICHE JOURNAL, Issue 1 2010
Pedro Sá Gomes
Abstract In this work, a procedure for the separation of a racemic mixture of guaifenesin onto a chiral stationary phase (Chiralpak AD), by means of Simulated Moving Bed (SMB) technology, is presented in four major steps: (1) search for the suitable stationary and mobile phases; (2) determination of sorption parameters and validation by frontal analysis; (3) modeling and design of the SMB unit; and (4) operation and demonstration. A major emphasis is given to the common deviations that "real" SMB units present when compared with the theoretical apparatus (due to tubing and equipment dead volumes, switching time asymmetries and delays, pumps flow rates variations). These deviations are analyzed before and after the design and construction of the FlexSMB-LSRE® unit, a new flexible unit, hereby presented. A detailed model that takes into account tubing and equipment dead volumes, as well as switching time asymmetries and delay, was used to study and compare different dead volumes design and compensating strategies. It is shown that all these approaches can be converged into a switching time compensating strategy. This approach served to predict the experimental operating conditions and run a classical SMB experiment, which afterwards was compared with the simulated profiles obtained for the FlexSMB-LSRE® unit. The result of the separation was guaifenesin enantiomers with purities above 98% and a productivity value of 23 genantiomer/(dm3 CSP day). © 2009 American Institute of Chemical Engineers AIChE J, 2010 [source]

Pesticide soil sorption parameters: theory, measurement, uses, limitations and reliability,

PEST MANAGEMENT SCIENCE (FORMERLY: PESTICIDE SCIENCE), Issue 5 2002
R Don Wauchope
Abstract The soil sorption coefficient Kd and the soil organic carbon sorption coefficient KOC of pesticides are basic parameters used by environmental scientists and regulatory agencies worldwide in describing the environmental fate and behavior of pesticides. They are a measure of the strength of sorption of pesticides to soils and other geosorbent surfaces at the water/solid interface, and are thus directly related to both environmental mobility and persistence. KOC is regarded as a ,universal' parameter related to the hydrophobicity of the pesticide molecule, which applies to a given pesticide in all soils. This assumption is known to be inexact, but it is used in this way in modeling and estimating risk for pesticide leaching and runoff. In this report we examine the theory, uses, measurement or estimation, limitations and reliability of these parameters and provide some ,rules of thumb' for the use of these parameters in describing the behavior and fate of pesticides in the environment, especially in analysis by modeling. © 2002 Society of Chemical Industry [source]