scholarly journals Novel calculator for estimation of Freundlich partitioning coefficient

Chemosphere ◽  
2019 ◽  
Vol 230 ◽  
pp. 308-315 ◽  
Author(s):  
William P. Eckel
Water ◽  
2019 ◽  
Vol 11 (3) ◽  
pp. 526 ◽  
Author(s):  
Fan Liu ◽  
Asbjørn Nielsen ◽  
Jes Vollertsen

Stormwater retention ponds commonly receive some wastewater through misconnections, sewer leaks, and sewer overloads, all of which leads to unintended loads of organic micropollutants, including pharmaceuticals. This study explores the role of pond sediment in removing pharmaceuticals (naproxen, carbamazepine, sulfamethoxazole, furosemide, and fenofibrate). It quantifies their sorption potential to the sediments and how it depends on pH. Then it addresses the degradability of the pharmaceuticals in microcosms holding sediment beds and pond water. The sediment-water partitioning coefficient of fenofibrate varied little with pH and was the highest (average log Kd: 4.42 L kg−1). Sulfamethoxazole had the lowest (average log Kd: 0.80 L kg−1), varying unsystematically with pH. The coefficients of naproxen, furosemide and carbamazepine were in between. The degradation by the sediments was most pronounced for sulfamethoxazole, followed by naproxen, fenofibrate, furosemide, and carbamazepine. The first three were all removed from the water phase with half-life of 2–8 days. Over the 38 days the experiment lasted, they were all degraded to near completion. The latter two were more resistant, with half-lives between 1 and 2 months. Overall, the study indicated that stormwater retention ponds have the potential to remove some but not all pharmaceuticals contained in wastewater contributions.


2020 ◽  
Vol 57 (6) ◽  
pp. 882-902 ◽  
Author(s):  
R.S. McWatters ◽  
D.D. Jones ◽  
R.K. Rowe ◽  
J.M. Markle

The excavation and analysis of the barrier systems for four engineered containment cells, constructed from 1984 to 1987, is described. Very limited polychlorinated biphenyl (PCB) migration was observed over the 22–25 year period prior to decommissioning. PCBs were predominantly, and preferentially, retarded by the geotextiles (GTXs) and, where present, geomembranes (GMBs). The migration of PCBs in the primary compacted clay liner (CCL) during this period was limited both when used alone and with a GMB. The exhumed GMBs, from both cover and base barriers, had diffusive properties (with respect to volatile organic compounds) comparable to unaged GMBs. For cells with a CCL as the primary base barrier, the inferred PCB diffusion coefficient, De, was 1–2 × 10−10 m2/s and distribution coefficient, Kd, was 10–15 mL/g. For cells where a GMB was the primary base barrier, the inferred PCB partitioning coefficient, Sgf, was 150 000 and diffusion coefficient, Dg, was 1 × 10−14 m2/s. Modelling beyond the 25 years in service predicts no unacceptable PCB impact of the landfill on groundwater and indicates that the design of the barrier system was adequate for an indefinite period given the low service temperatures to which it was subjected. In this diffusion-governed system, small changes to the diffusive properties were found to have a large impact on migration.


2013 ◽  
Vol 149 ◽  
pp. 354-365 ◽  
Author(s):  
L. Krishnamurthy ◽  
J. Kashiwagi ◽  
H.D. Upadhyaya ◽  
C.L.L. Gowda ◽  
P.M. Gaur ◽  
...  

2016 ◽  
Vol 9 (10) ◽  
pp. 3617-3637
Author(s):  
Matthew Crooks ◽  
Paul Connolly ◽  
David Topping ◽  
Gordon McFiggans

Abstract. An existing equilibrium absorptive partitioning model for calculating the equilibrium gas and particle concentrations of multiple semi-volatile organics within a bulk aerosol is extended to allow for multiple involatile aerosol modes of different sizes and chemical compositions. In the bulk aerosol problem, the partitioning coefficient determines the fraction of the total concentration of semi-volatile material that is in the condensed phase of the aerosol. This work modifies this definition for multiple polydisperse aerosol modes to account for multiple condensed concentrations, one for each semi-volatile on each involatile aerosol mode. The pivotal assumption in this work is that each aerosol mode contains an involatile constituent, thus overcoming the potential problem of smaller particles evaporating completely and then condensing on the larger particles to create a monodisperse aerosol at equilibrium. A parameterisation is proposed in which the coupled non-linear system of equations is approximated by a simpler set of equations obtained by setting the organic mole fraction in the partitioning coefficient to be the same across all modes. By perturbing the condensed masses about this approximate solution a correction term is derived that accounts for many of the removed complexities. This method offers a greatly increased efficiency in calculating the solution without significant loss in accuracy, thus making it suitable for inclusion in large-scale models.


2020 ◽  
Author(s):  
Jean-Michel Brazier ◽  
Katja Götschl ◽  
Martin Dietzel ◽  
Vasileios Mavromatis

<p>Carbonate minerals record, through their chemical and isotopic composition, the environmental conditions occurring at the time of their formation. Thus, the incorporation of traces/impurities in CaCO<sub>3</sub> minerals calcite and aragonite, have been widely studied over the last five decades in order to provide the fundamental knowledge needed for the use of these traces in paleoenvironmental reconstructions. The processes controlling the uptake of traces in natural samples, however, are manifold and hard to distinguish from each other. Thus, experimental co-precipitation studies on synthetic material under strictly controlled abiotic conditions can provide fundamental understanding on the effect of each process involved in the chemical signatures of natural carbonates. In this study, we explore the incorporation of Cu in calcite and its potential as proxy of reactive fluid composition. This transition metal commonly occurs complexed with organic ligands in natural waters, however, it exhibits very high affinity for calcite. Our experiments were performed at pH 6.3 and 8.3, with varying growth rate ranging between 10<sup>-8.5</sup> and 10<sup>-7.6</sup> (mol/m<sup>2</sup>/s). Our first results highlight that the partitioning coefficient of Cu is positively correlated to the calcite growth rate at both pH conditions, indicating an increase of Cu entrapment at higher growth rate. These new preliminary findings could bring fundamental understanding of Cu incorporation in calcite and highlight the potential of Cu partitioning coefficient as a proxy of mineral growth rate.</p>


2015 ◽  
Vol 17 (22) ◽  
pp. 14796-14804 ◽  
Author(s):  
Thorsten Hohaus ◽  
Iulia Gensch ◽  
Joel Kimmel ◽  
Douglas R. Worsnop ◽  
Astrid Kiendler-Scharr

Measured particle phase concentrations of semi-volatile organic compounds exceed those predicted by absorption equilibrium gas-particle partitioning by orders of magnitude.


2007 ◽  
Vol 544-545 ◽  
pp. 123-126 ◽  
Author(s):  
Hae Ryong Jung ◽  
Sang Deok Seo ◽  
Hee Chul Choi

Mesostructured carbon (MSC) has been synthesized by the carbonization of assynthesized mesocellular siliceous foam (MCF)/P123 nanocomposite followed by the dissolution of the silica using 10 wt.% HF solution. SEM, TEM, and BET instruments were used to characterize the mesostructured carbon. Batch experiments were performed to evaluate its ability to adsorb natural organic matter (NOM) in various pH levels. MSC showed enhanced adsorption capacity for NOM than the commercial activated carbons. MSC possessed approximately 3.3 and 2.2 times greater the solid-water partitioning coefficient of NOM, Kd, at pH 7 than coal-based and coconutbased activated carbons, respectively. This increased Kd of MSC resulted from mesoporous structures in the range of 4-6 nm on the surface. The Kd value decreased with increasing initial pH levels, which is considered to be due to ionization of functional groups of NOM.


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