TY - JOUR
T1 - Mathematical simulation of chlorinated ethene concentration rebound after in situ chemical oxidation
AU - Tressler, Adam
AU - Uchrin, Christopher
PY - 2014/3/7
Y1 - 2014/3/7
N2 - Permanganates have been used for in situ chemical oxidation (ISCO) projects since the 1990s. Unfortunately, there has been very little research performed on the phenomenon of concentration rebound after ISCO. Most research on ISCO has focused on demonstrating effectiveness, estimating kinetics, or quantifying the effects of reaction products. Only one study has demonstrated that a correlation between concentration rebound and hydrogeological parameters exists. Our study uses a numerical solution to an advection-dispersion-reaction equation to quantify a correlation between the rate of concentration rebound and molecular diffusivity in pure water. It accomplishes this by simulating a variety of sites contaminated with chlorinated ethenes that also had an ISCO with permanganate. Each simulation included advection, two-dimensional dispersion, oxidation, concentration rebound, natural oxidant demand, and retardation. Five sites were suitable for simulation and eight cells were delineated within the five sites. These cells allowed for a variety of soils, contaminants, injection methods (i.e. frequency, depth, mass of oxidant, duration, etc.), time scales, spatial scales, and hydrogeological variables to be examined. A robust correlation (R2 = 0.92) was identified with a regression analysis between the molecular diffusion coefficient in pure water and the rate of concentration rebound.
AB - Permanganates have been used for in situ chemical oxidation (ISCO) projects since the 1990s. Unfortunately, there has been very little research performed on the phenomenon of concentration rebound after ISCO. Most research on ISCO has focused on demonstrating effectiveness, estimating kinetics, or quantifying the effects of reaction products. Only one study has demonstrated that a correlation between concentration rebound and hydrogeological parameters exists. Our study uses a numerical solution to an advection-dispersion-reaction equation to quantify a correlation between the rate of concentration rebound and molecular diffusivity in pure water. It accomplishes this by simulating a variety of sites contaminated with chlorinated ethenes that also had an ISCO with permanganate. Each simulation included advection, two-dimensional dispersion, oxidation, concentration rebound, natural oxidant demand, and retardation. Five sites were suitable for simulation and eight cells were delineated within the five sites. These cells allowed for a variety of soils, contaminants, injection methods (i.e. frequency, depth, mass of oxidant, duration, etc.), time scales, spatial scales, and hydrogeological variables to be examined. A robust correlation (R2 = 0.92) was identified with a regression analysis between the molecular diffusion coefficient in pure water and the rate of concentration rebound.
KW - Concentration rebound
KW - ISCO
KW - In situ chemical oxidation
KW - Molecular diffusivity in water
KW - Numerical simulation
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U2 - https://doi.org/10.1080/10934529.2014.893790
DO - https://doi.org/10.1080/10934529.2014.893790
M3 - Article
C2 - 24766588
VL - 49
SP - 869
EP - 881
JO - Journal of Environmental Science and Health - Part A Toxic/Hazardous Substances and Environmental Engineering
JF - Journal of Environmental Science and Health - Part A Toxic/Hazardous Substances and Environmental Engineering
SN - 1093-4529
IS - 8
ER -