Pore‐scale modeling and upscaling of nonaqueous phase liquid mass transfer

Held, Rudolf; Celia, Michael A.

doi:10.1029/2000wr900274

Cited by 60 publications

(54 citation statements)

References 26 publications

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“…The rate of dissolution from a nonaqueous phase has been studied in laboratory experiments (Powers et al, 1994), and in numerical studies at the pore scale (Dillard and Blunt, 2000;Held and Celia, 2001) and field scale Zhu and Sykes, 2000;Dillard et al, 2001). Our knowledge of multicomponent field-scale dissolution influenced by biodegradation is limited (Khachikian and Harmon, 2000) although recent studies have examined this issue in column experiments (Seagren et al, 1993;Yang and McCarty, 2002).…”

Section: Introductionmentioning

confidence: 99%

Inverse modeling of BTEX dissolution and biodegradation at the Bemidji, MN crude-oil spill site

Essaid

Cozzarelli

Eganhouse

et al. 2003

Journal of Contaminant Hydrology

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The U.S. Geological Survey (USGS) solute transport and biodegradation code BIOMOC was used in conjunction with the USGS universal inverse modeling code UCODE to quantify field-scale hydrocarbon dissolution and biodegradation at the USGS Toxic Substances Hydrology Program crude-oil spill research site located near Bemidji, MN. This inverse modeling effort used the extensive historical data compiled at the Bemidji site from 1986 to 1997 and incorporated a multicomponent transport and biodegradation model. Inverse modeling was successful when coupled transport and degradation processes were incorporated into the model and a single dissolution rate coefficient was used for all BTEX components. Assuming a stationary oil body, we simulated benzene, toluene, ethylbenzene, m,p-xylene, and o-xylene (BTEX) concentrations in the oil and ground water, respectively, as well as dissolved oxygen. Dissolution from the oil phase and aerobic and anaerobic degradation processes were represented. The parameters estimated were the recharge rate, hydraulic conductivity, dissolution rate coefficient, individual first-order BTEX anaerobic degradation rates, and transverse dispersivity. Results were similar for simulations obtained using several alternative conceptual models of the hydrologic system and biodegradation processes. The dissolved BTEX concentration data were not sufficient to discriminate between these conceptual models. The calibrated simulations reproduced the general large-scale evolution of the plume, but did not reproduce the observed small-scale spatial and temporal variability in concentrations. The estimated anaerobic biodegradation rates for toluene and o-xylene were greater than the dissolution rate coefficient. However, the estimated anaerobic biodegradation rates for benzene, ethylbenzene, and m,p-xylene were less than the dissolution rate coefficient. The calibrated model was used to determine the BTEX mass balance in the oil body and groundwater plume. This article is a U.S. government work, and is not subject to copyright in the United States.Dissolution from the oil body was greatest for compounds with large effective solubilities (benzene) and with large degradation rates (toluene and o-xylene). Anaerobic degradation removed 77% of the BTEX that dissolved into the water phase and aerobic degradation removed 17%. Although goodness-of-fit measures for the alternative conceptual models were not significantly different, predictions made with the models were quite variable. D

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Section: Introductionmentioning

confidence: 99%

Inverse modeling of BTEX dissolution and biodegradation at the Bemidji, MN crude-oil spill site

Essaid

Cozzarelli

Eganhouse

et al. 2003

Journal of Contaminant Hydrology

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“…These achievements directly supported the recent advances in pore-scale network modeling resulting from the efforts of Celia and coworkers (Dahle and Celia, 1999;Held and Celia, 2000).…”

Section: Previous Research By Pi's Under Doe Fundingmentioning

confidence: 48%

“…We took this research in several directions, some of which form the basis for the renewal proposal. First, we added some simple dynamics associated with mass transfer across interfaces and subsequent dissolution dynamics, as described earlier (see Held and Celia, 2000~). We have also looked quite closely into different algorithms that allow for inclusion of interfacial dynamics.…”

Section: Previous Research By Pi's Under Doe Fundingmentioning

confidence: 99%

Establishing a Quantitative Functional Relationship between Capillary Pressure Saturation and Interfacial Area

Montemagno¹

2002

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SUIWMARY OF OBJECTIVESWe propose to continue our collaborative research focused on advanced technologies for subsurface contamination problems. Our approach combines new multi-phase flow theory, novel laboratory experiments, and non-traditional computational simulators to investigate practical approaches to include interfacial areas in descriptions of subsurface contaminant transport and remediation. Because all inter-phase mass transfer occurs at fluid-fluid interfaces, and it is this inter-phase mass transfer that leads to the difficult, long-term ground-water contamination problems, it is critical to include interfacial behavior in the problem description. This is currently lacking in all standard models of complex ground-water contamination problems. In our earlier project, we developed tools appropriate for inclusion of interfacial areas under equilibrium conditions. These include advanced laboratory techniques and targeted computational experiments that validated certain key theoretical conjectures. However, it has become clear that to include interfacial behavior fully into a description of the multi-phase flow and contamination problems, the Molly dynamic case must be considered. Therefore, we need to develop both experimental and computational tools that can capture the dynamic nature of interfacial movements. Development and application of such tools will allow the theory to be evaluated, and will lead to significant improvements in our understanding of complex subsurface contamination problems, thereby allowing us to develop and evaluate improved remediation technologies.We propose to combine theoretical, experimental, and computational research efforts to achieve the following goals: 0 Develop new experimental techniques to measure interface dynamics, under realistic conditions of movement in porous media. 0Develop new computational algorithms that properly incorporate interface dynamics, and that include wedges and films of wetting fluid. .Test existing theory and develop new theory, in conjunction with the experiments and the computations, to provide practical definitions to fundamental terms like dynamic capillary pressure and average interfacial velocity. 0Synthesize the results of the experimental, computational, and theoretical investigations to develop a new model for multi-phase flow and contaminant transport in contaminated soils and ground waters. Compare this new approach to standard methods and evaluate the potential improvements in terms of soil characterization and remediation evaluation.The results of this research will provide guidance regarding fundamental questions of remediation efficacy. We will examine how interfacial areas need to be characterized, and under what conditions their dynamics need to be included in practical analyses of subsurface contamination problems, Given that these interfaces are the source of contaminants to the aqueous phase, it is important that we continue our ongoing investigations of the role of these interfaces in contamination problems, the influence o...

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“…Thus, it is necessary to develop more complicated models to improve the prediction accuracy. More complicated physical and chemical processes, such as the mass transfer process [21][22][23][24][25][26][27], biological process [28], and foam displacement [29,30], etc., have been taken into account in the pore network model [4,[31][32][33][34][35]. For details about the pore network model, see References [36,37].…”

Section: Introductionmentioning

confidence: 99%

Advances in Pore-Scale Simulation of Oil Reservoirs

Wang

et al. 2018

Energies

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Abstract:At the high water cut stage, the residual oil in a reservoir becomes complex and dispersed. Moreover, it is challenging to achieve good predictions of the movement of oil and water in a reservoir according to the macroscopic models based on the statistic parameters of this scenario. However, pore-scale simulation technology based on directly tracking the interaction among different phases can make an accurate prediction of the fluid distribution in the pore space, which is highly important in the improvement of the recovery rate. In this work, pore-scale simulation methods, including the pore network model, lattice Boltzmann method, Navier-Stokes equation-based interface tracking methods, and smoothed particle hydrodynamics, and relevant technologies are summarized. The principles, advantages, and disadvantages, as well as the degree of difficulty in the implementation are analyzed and compared. Problems in the current simulation technologies, micro sub-models, and applications in physicochemical percolation are also discussed. Finally, potential developments and prospects in this field are summarized.

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Pore‐scale modeling and upscaling of nonaqueous phase liquid mass transfer

Cited by 60 publications

References 26 publications

Inverse modeling of BTEX dissolution and biodegradation at the Bemidji, MN crude-oil spill site

Inverse modeling of BTEX dissolution and biodegradation at the Bemidji, MN crude-oil spill site

Establishing a Quantitative Functional Relationship between Capillary Pressure Saturation and Interfacial Area

Advances in Pore-Scale Simulation of Oil Reservoirs

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