Can Convolution and Deconvolution Be Used as Tools for Modeling Multicomponent, Mixing-Limited Reaction Networks?
Abstract
Transfer functions (i.e., convolutions) have been powerful tools for both forward modeling and reconstructing past states of transport systems in a wide range of subsurface flow problems. The advantage of the transfer function is that it is a simple alternative to complicated, distributed parameter models of flow and transport, but the majority of applications of transfer functions in hydrology have been limited to relatively simple cases, like passive tracers or first-order decay. The central question evaluated in this note is whether or not multicomponent mixing-limited reactive transport can be represented within a transfer function framework. Our examples consider forward-in-time predictions and backward-in-time reconstructions of a carbonate system that represents the intrusion of seawater into a freshwater aquifer. The main result is that accurate forward-in-time and backward-in-time models are developed by posing the problem in terms of conservative components. As with all convolution-based methods, the results are sensitive to errors and/or noise in the input functions, but we show that smoothed approximations of the requisite functions provide good representations of transport. Given the vast unknowns in any subsurface transport problem, such generalized, reactive transfer function models may have yet unexplored advantages when the trade-offs between overall computational cost, accuracy, and uncertaintymore »
- Authors:
-
- Washington State Univ., Pullman, WA (United States)
- Univ. of Western Australia, Perth, WA (Australia)
- Publication Date:
- Research Org.:
- Washington State Univ., Pullman, WA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Biological and Environmental Research (BER); National Science Foundation (NSF)
- OSTI Identifier:
- 1593348
- Grant/Contract Number:
- SC0019123; 1707753
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Water Resources Research
- Additional Journal Information:
- Journal Volume: 55; Journal Issue: 7; Journal ID: ISSN 0043-1397
- Publisher:
- American Geophysical Union (AGU)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 42 ENGINEERING; transfer functions; conservative components; solute transport; mixing and reactions
Citation Formats
Engdahl, Nicholas B., McCallum, James L., and Ginn, Timothy R. Can Convolution and Deconvolution Be Used as Tools for Modeling Multicomponent, Mixing-Limited Reaction Networks?. United States: N. p., 2019.
Web. doi:10.1029/2018WR024103.
Engdahl, Nicholas B., McCallum, James L., & Ginn, Timothy R. Can Convolution and Deconvolution Be Used as Tools for Modeling Multicomponent, Mixing-Limited Reaction Networks?. United States. https://doi.org/10.1029/2018WR024103
Engdahl, Nicholas B., McCallum, James L., and Ginn, Timothy R. Thu .
"Can Convolution and Deconvolution Be Used as Tools for Modeling Multicomponent, Mixing-Limited Reaction Networks?". United States. https://doi.org/10.1029/2018WR024103. https://www.osti.gov/servlets/purl/1593348.
@article{osti_1593348,
title = {Can Convolution and Deconvolution Be Used as Tools for Modeling Multicomponent, Mixing-Limited Reaction Networks?},
author = {Engdahl, Nicholas B. and McCallum, James L. and Ginn, Timothy R.},
abstractNote = {Transfer functions (i.e., convolutions) have been powerful tools for both forward modeling and reconstructing past states of transport systems in a wide range of subsurface flow problems. The advantage of the transfer function is that it is a simple alternative to complicated, distributed parameter models of flow and transport, but the majority of applications of transfer functions in hydrology have been limited to relatively simple cases, like passive tracers or first-order decay. The central question evaluated in this note is whether or not multicomponent mixing-limited reactive transport can be represented within a transfer function framework. Our examples consider forward-in-time predictions and backward-in-time reconstructions of a carbonate system that represents the intrusion of seawater into a freshwater aquifer. The main result is that accurate forward-in-time and backward-in-time models are developed by posing the problem in terms of conservative components. As with all convolution-based methods, the results are sensitive to errors and/or noise in the input functions, but we show that smoothed approximations of the requisite functions provide good representations of transport. Given the vast unknowns in any subsurface transport problem, such generalized, reactive transfer function models may have yet unexplored advantages when the trade-offs between overall computational cost, accuracy, and uncertainty are explored in more detail.},
doi = {10.1029/2018WR024103},
journal = {Water Resources Research},
number = 7,
volume = 55,
place = {United States},
year = {Thu Jun 27 00:00:00 EDT 2019},
month = {Thu Jun 27 00:00:00 EDT 2019}
}
Web of Science
Figures / Tables:
Works referenced in this record:
Scale dependence of the hydraulic properties of a fractured aquifer estimated using transfer functions: SCALING USING TRANSFER FUNCTIONS
journal, July 2016
- Pedretti, D.; Russian, A.; Sanchez-Vila, X.
- Water Resources Research, Vol. 52, Issue 7
Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures; II, Debye-Huckel parameters for activity coefficients and relative partial molal properties
journal, December 1974
- Helgeson, H. C.; Kirkham, D. H.
- American Journal of Science, Vol. 274, Issue 10
Notes on Groundwater Age in Forward and Inverse Modeling
journal, July 2009
- Ginn, Timothy R.; Haeri, Hanieh; Massoudieh, Arash
- Transport in Porous Media, Vol. 79, Issue 1
A coupled model for transport of multiple chemical species and kinetic precipitation/dissolution reactions with application to reactive flow in single phase hydrothermal systems
journal, May 1994
- Steefel, C. I.; Lasaga, A. C.
- American Journal of Science, Vol. 294, Issue 5
Lagrangian simulation of mixing and reactions in complex geochemical systems: COMPLEX REACTIONS ON PARTICLES
journal, April 2017
- Engdahl, Nicholas B.; Benson, David A.; Bolster, Diogo
- Water Resources Research, Vol. 53, Issue 4
MODFLOW/MT3DMS-Based Reactive Multicomponent Transport Modeling
journal, March 2003
- Prommer, H.; Barry, D. A.; Zheng, C.
- Ground Water, Vol. 41, Issue 2
Evaluating the performance of parallel subsurface simulators: An illustrative example with PFLOTRAN: Evaluating the Parallel Performance of Pflotran
journal, January 2014
- Hammond, G. E.; Lichtner, P. C.; Mills, R. T.
- Water Resources Research, Vol. 50, Issue 1
Nitrate vulnerability projections from Bayesian inference of multiple groundwater age tracers
journal, December 2016
- Alikhani, Jamal; Deinhart, Amanda L.; Visser, Ate
- Journal of Hydrology, Vol. 543
Stochastic-convective transport with nonlinear reaction and mixing: application to intermediate-scale experiments in aerobic biodegradation in saturated porous media
journal, March 2001
- Ginn, T. R.; Murphy, E. M.; Chilakapati, A.
- Journal of Contaminant Hydrology, Vol. 48, Issue 1-2
An advective-dispersive stream tube approach for the transfer of conservative-tracer data to reactive transport
journal, May 2000
- Cirpka, Olaf A.; Kitanidis, Peter K.
- Water Resources Research, Vol. 36, Issue 5
A Bayesian geostatistical transfer function approach to tracer test analysis: GEOSTATISTICAL TRANSFER FUNCTION
journal, July 2006
- Fienen, Michael N.; Luo, Jian; Kitanidis, Peter K.
- Water Resources Research, Vol. 42, Issue 7
On the Lagrangian formulations of reactive solute transport in the hydrologic response: REACTIVE SOLUTE TRANSPORT
journal, April 2005
- Botter, Gianluca; Bertuzzo, Enrico; Bellin, Alberto
- Water Resources Research, Vol. 41, Issue 4
A parametric transfer function methodology for analyzing reactive transport in nonuniform flow
journal, February 2006
- Luo, Jian; Cirpka, Olaf A.; Fienen, Michael N.
- Journal of Contaminant Hydrology, Vol. 83, Issue 1-2
A subordinated kinematic wave equation for heavy-tailed flow responses from heterogeneous hillslopes
journal, January 2010
- Harman, Ciaran J.; Reeves, Donald M.; Baeumer, Boris
- Journal of Geophysical Research, Vol. 115
Revisiting the Analytical Solution Approach to Mixing-Limited Equilibrium Multicomponent Reactive Transport Using Mixing Ratios: Identification of Basis, Fixing an Error, and Dealing With Multiple Minerals: ANALYTICAL SOLUTION TO REACTIVETRANSPORT
journal, November 2017
- Ginn, T. R.; Schreyer, L. G.; Sanchez-Vila, X.
- Water Resources Research, Vol. 53, Issue 11
Non-stationary nonparametric inference of river-to-groundwater travel-time distributions
journal, November 2014
- Liao, Zijie; Osenbrück, Karsten; Cirpka, Olaf A.
- Journal of Hydrology, Vol. 519
ParCrunchFlow: an efficient, parallel reactive transport simulation tool for physically and chemically heterogeneous saturated subsurface environments
journal, April 2015
- Beisman, James J.; Maxwell, Reed M.; Navarre-Sitchler, Alexis K.
- Computational Geosciences, Vol. 19, Issue 2
Comparison of instantaneous and constant-rate stream tracer experiments through non-parametric analysis of residence time distributions: RESIDENCE TIME DISTRIBUTIONS FROM STREAM TRACER EXPERIMENTS
journal, June 2008
- Payn, Robert A.; Gooseff, Michael N.; Benson, David A.
- Water Resources Research, Vol. 44, Issue 6
Traveltime-based descriptions of transport and mixing in heterogeneous domains: REACTIVE MIXING IN HETEROGENEOUS DOMAINS
journal, September 2008
- Luo, Jian; Cirpka, Olaf A.
- Water Resources Research, Vol. 44, Issue 9
Catchment-scale advection and dispersion as a mechanism for fractal scaling in stream tracer concentrations
journal, December 2001
- Kirchner, James W.; Feng, Xiahong; Neal, Colin
- Journal of Hydrology, Vol. 254, Issue 1-4
Regional Variability of Nitrate Fluxes in the Unsaturated Zone and Groundwater, Wisconsin, USA
journal, January 2018
- Green, Christopher T.; Liao, Lixia; Nolan, Bernard T.
- Water Resources Research, Vol. 54, Issue 1
Contaminant transport in aquifers with spatially variable hydraulic and sorption properties
journal, August 1998
- Cvetkovic, V.; Dagan, G.; Cheng, H.
- Proceedings of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences, Vol. 454, Issue 1976
Upscaling heterogeneity in aquifer reactivity via the exposure-time concept: Inverse model
journal, March 2006
- Seeboonruang, Uma; Ginn, Timothy R.
- Journal of Contaminant Hydrology, Vol. 84, Issue 3-4
Bayesian evaluation of groundwater age distribution using radioactive tracers and anthropogenic chemicals: UNCERTAINTIES IN GROUNDWATER DATING
journal, September 2012
- Massoudieh, Arash; Sharifi, Soroosh; Solomon, D. Kip
- Water Resources Research, Vol. 48, Issue 9
Modeling the Nonequilibrium Transport of Linearly Interacting Solutes in Porous Media: A Review
journal, September 1991
- Sardin, M.; Schweich, D.; Leij, F. J.
- Water Resources Research, Vol. 27, Issue 9
A stochastic-convective transport representation of dispersion in one-dimensional porous media systems
journal, August 1982
- Simmons, C. S.
- Water Resources Research, Vol. 18, Issue 4
A mixing ratios-based formulation for multicomponent reactive transport: A MIXING RATIO FORMULATION FOR REACTIVE
journal, July 2007
- De Simoni, M.; Sanchez-Vila, X.; Carrera, J.
- Water Resources Research, Vol. 43, Issue 7
Simulation of solute transport using a transfer function model
journal, April 1982
- Jury, William A.
- Water Resources Research, Vol. 18, Issue 2
Transport of kinetically sorbing solute by steady random velocity in heterogeneous porous formations
journal, April 1994
- Cvetkovic, Vladimir; Dagan, Gedeon
- Journal of Fluid Mechanics, Vol. 265
Regional oxygen reduction and denitrification rates in groundwater from multi-model residence time distributions, San Joaquin Valley, USA
journal, December 2016
- Green, Christopher T.; Jurgens, Bryant C.; Zhang, Yong
- Journal of Hydrology, Vol. 543
Temporal and spatial scaling of hydraulic response to recharge in fractured aquifers: Insights from a frequency domain analysis: Temporal and Spatial Scaling in Fractured Aquifers
journal, May 2013
- Jiménez-Martínez, Joaquín; Longuevergne, Laurent; Le Borgne, Tanguy
- Water Resources Research, Vol. 49, Issue 5
Solute transport in heterogeneous porous formations
journal, August 1984
- Dagan, Gedeon
- Journal of Fluid Mechanics, Vol. 145, Issue -1
Residence time distributions in surface transient storage zones in streams: Estimation via signal deconvolution: RTDS IN SURFACE TRANSIENT STORAGE ZONES
journal, May 2011
- Gooseff, Michael N.; Benson, David A.; Briggs, Martin A.
- Water Resources Research, Vol. 47, Issue 5
Using groundwater age distributions to estimate the effective parameters of Fickian and non-Fickian models of solute transport
journal, April 2013
- Engdahl, Nicholas B.; Ginn, Timothy R.; Fogg, Graham E.
- Advances in Water Resources, Vol. 54
Application of a mixing-ratios based formulation to model mixing-driven dissolution experiments
journal, May 2009
- Guadagnini, Alberto; Sanchez-Vila, Xavier; Saaltink, Maarten W.
- Advances in Water Resources, Vol. 32, Issue 5
Nonparametric estimation of groundwater residence time distributions: What can environmental tracer data tell us about groundwater residence time?
journal, March 2014
- McCallum, James L.; Engdahl, Nicholas B.; Ginn, Timothy R.
- Water Resources Research, Vol. 50, Issue 3
Equivalence of the time and Laplace domain solutions for the steady state concentration of radiometric tracers and the groundwater age equation
journal, April 2014
- Engdahl, Nicholas B.
- Water Resources Research, Vol. 50, Issue 4
Evolution of porosity in the saltwater–freshwater mixing zone of coastal carbonate aquifers: An alternative modelling approach
journal, October 2006
- Romanov, Douchko; Dreybrodt, Wolfgang
- Journal of Hydrology, Vol. 329, Issue 3-4
Stochastic-Convective Transport with Nonlinear Reaction: Mathematical Framework
journal, November 1995
- Simmons, C. S.; Ginn, T. R.; Wood, B. D.
- Water Resources Research, Vol. 31, Issue 11
Determining the turnover time of groundwater systems with the aid of environmental tracers
journal, June 1982
- Małoszewski, P.; Zuber, A.
- Journal of Hydrology, Vol. 57, Issue 3-4
Stochastic–convective transport with nonlinear reactions and mixing: finite streamtube ensemble formulation for multicomponent reaction systems with intra-streamtube dispersion
journal, January 2001
- Ginn, T. R.
- Journal of Contaminant Hydrology, Vol. 47, Issue 1
On the validity of travel-time based nonlinear bioreactive transport models in steady-state flow
journal, April 2015
- Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael
- Journal of Contaminant Hydrology, Vol. 175-176
Kinematics of age mixing in advection-dispersion models: AGE MIXING IN ADVECTION-DISPERSION MODELS
journal, December 2013
- Benettin, Paolo; Rinaldo, Andrea; Botter, Gianluca
- Water Resources Research, Vol. 49, Issue 12
Mixing, spreading and reaction in heterogeneous media: A brief review
journal, March 2011
- Dentz, Marco; Le Borgne, Tanguy; Englert, Andreas
- Journal of Contaminant Hydrology, Vol. 120-121
Cumulative relative reactivity: A concept for modeling aquifer-scale reactive transport: CUMULATIVE RELATIVE REACTIVITY
journal, October 2016
- Loschko, Matthias; Wöhling, Thomas; Rudolph, David L.
- Water Resources Research, Vol. 52, Issue 10
PhreeqcRM: A reaction module for transport simulators based on the geochemical model PHREEQC
journal, September 2015
- Parkhurst, David L.; Wissmeier, Laurin
- Advances in Water Resources, Vol. 83
Relevance of local compound-specific transverse dispersion for conservative and reactive mixing in heterogeneous porous media: COMPOUND-SPECIFIC TRANSVERSE DISPERSION
journal, July 2011
- Chiogna, Gabriele; Cirpka, Olaf A.; Grathwohl, Peter
- Water Resources Research, Vol. 47, Issue 7
Analyzing Bank Filtration by Deconvoluting Time Series of Electric Conductivity
journal, May 2007
- Cirpka, Olaf A.; Fienen, Michael N.; Hofer, Markus
- Ground Water, Vol. 45, Issue 3
The theoretical relation between unstable solutes and groundwater age: RELATION BETWEEN UNSTABLE SOLUTES AND GROUNDWATER AGE
journal, October 2011
- Massoudieh, Arash; Ginn, Timothy R.
- Water Resources Research, Vol. 47, Issue 10
High Performance Simulation of Environmental Tracers in Heterogeneous Domains
journal, December 2013
- Gardner, William P.; Hammond, Glenn; Lichtner, Peter
- Groundwater, Vol. 53, Issue S1
Approximating groundwater age distributions using simple streamtube models and multiple tracers
journal, April 2014
- Engdahl, Nicholas B.; Maxwell, Reed M.
- Advances in Water Resources, Vol. 66
Nitrate vulnerability projections from Bayesian inference of multiple groundwater age tracers
text, January 2016
- Moran, Jean E.; Bibby, Richard K.; Alikhani, Jamal
- Elsevier
Figures / Tables found in this record: