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Title: Modeling abiotic processes of aniline in water-saturated soils

Abstract

The long-term interactions of aromatic amines with soils are important in defining the fate and transport of these compounds in the environment. Abiotic loss of aniline from the aqueous phase to the soil phase occurs with an initial rapid loss due to reversible mass transfer processes, followed by a slow loss due to irreversible reactions. A kinetic model describing these processes in water-saturated soils was developed and evaluated. The model assumes that instantaneous equilibrium occurs for the following reversible processes: (1) acid dissociation of the protonated organic base (BH+) in the aqueous phase; (2) ion exchange between inorganic divalent cations (D{sup 2+} = Ca{sup 2+} + Mg{sup 2+}) on the soil and the protonated organic base; and (3) partitioning of the nonionic species of aniline (B{sub aq}) to soil organic carbon. The model assumes that irreversible loss of aniline occurs through reaction of B{sub aq} with irreversible sites (C{sub ir}) on the soil. A kinetic rate constant, k{sub ir}, and the total concentration of irreversible sites, C{sub T}, were employed as adjustable model parameters. The model was evaluated as adjustable model parameters. The model was evaluated with measured mass distributions of aniline between water and five soils ranging in pHmore » (4.4--7.3), at contact times ranging from 2 to 1,600 h. Some experiments were performed at different soil mass to water volume ratios. A good fit was obtained with a single value of k{sub ir} for all soils, pH values, and soil-water ratios. To accurately predict soil-water distributions at contact times <24 h, mass transfer of the neutral species to the soil was modeled as a kinetic process, again, assuming that ion exchange processes are instantaneous.« less

Authors:
; ; ;
Publication Date:
Research Org.:
Purdue Univ., West Lafayette, IN (US)
OSTI Identifier:
20080508
Resource Type:
Journal Article
Journal Name:
Environmental Science and Technology
Additional Journal Information:
Journal Volume: 34; Journal Issue: 9; Other Information: PBD: 1 May 2000; Journal ID: ISSN 0013-936X
Country of Publication:
United States
Language:
English
Subject:
54 ENVIRONMENTAL SCIENCES; SOILS; MATHEMATICAL MODELS; ANILINE; ENVIRONMENTAL TRANSPORT; PHASE STUDIES

Citation Formats

Fabrega-Duque, J.R., Jafvert, C.T., Li, H., and Lee, L.S. Modeling abiotic processes of aniline in water-saturated soils. United States: N. p., 2000. Web. doi:10.1021/es990622o.
Fabrega-Duque, J.R., Jafvert, C.T., Li, H., & Lee, L.S. Modeling abiotic processes of aniline in water-saturated soils. United States. doi:10.1021/es990622o.
Fabrega-Duque, J.R., Jafvert, C.T., Li, H., and Lee, L.S. Mon . "Modeling abiotic processes of aniline in water-saturated soils". United States. doi:10.1021/es990622o.
@article{osti_20080508,
title = {Modeling abiotic processes of aniline in water-saturated soils},
author = {Fabrega-Duque, J.R. and Jafvert, C.T. and Li, H. and Lee, L.S.},
abstractNote = {The long-term interactions of aromatic amines with soils are important in defining the fate and transport of these compounds in the environment. Abiotic loss of aniline from the aqueous phase to the soil phase occurs with an initial rapid loss due to reversible mass transfer processes, followed by a slow loss due to irreversible reactions. A kinetic model describing these processes in water-saturated soils was developed and evaluated. The model assumes that instantaneous equilibrium occurs for the following reversible processes: (1) acid dissociation of the protonated organic base (BH+) in the aqueous phase; (2) ion exchange between inorganic divalent cations (D{sup 2+} = Ca{sup 2+} + Mg{sup 2+}) on the soil and the protonated organic base; and (3) partitioning of the nonionic species of aniline (B{sub aq}) to soil organic carbon. The model assumes that irreversible loss of aniline occurs through reaction of B{sub aq} with irreversible sites (C{sub ir}) on the soil. A kinetic rate constant, k{sub ir}, and the total concentration of irreversible sites, C{sub T}, were employed as adjustable model parameters. The model was evaluated as adjustable model parameters. The model was evaluated with measured mass distributions of aniline between water and five soils ranging in pH (4.4--7.3), at contact times ranging from 2 to 1,600 h. Some experiments were performed at different soil mass to water volume ratios. A good fit was obtained with a single value of k{sub ir} for all soils, pH values, and soil-water ratios. To accurately predict soil-water distributions at contact times <24 h, mass transfer of the neutral species to the soil was modeled as a kinetic process, again, assuming that ion exchange processes are instantaneous.},
doi = {10.1021/es990622o},
journal = {Environmental Science and Technology},
issn = {0013-936X},
number = 9,
volume = 34,
place = {United States},
year = {2000},
month = {5}
}