NDLI: Combining Simulation and Emulation for Calibrating Sequentially Reactive Transport Systems

Content Provider	Springer Nature Link
Author	Sun, Y. Tong, C. Duan, Q. Buscheck, T. A. Blink, J. A.
Copyright Year	2011
Abstract	Reaction rates are usually identified at laboratory scale, by comparing measured concentrations with those of the corresponding mathematical models. However, laboratory-scale reaction rates may not necessarily reflect the reactive transport scenarios at the field scale. Thus, a major challenge for field-scale modeling is the determination of reaction kinetics and rates. The conventional inversion of reaction rates relies on optimization approaches that require expensive computation to obtain the gradient of objective functions. In this manuscript, we present a combined simulation–emulation approach for calibrating the first-order reaction rates at the field scale. A number of sample points are adaptively selected to represent the high-dimensional parametric space including dimensions of reaction rates. Correspondingly, reactive transport models are generated and executed for constructing response surfaces of objective functions. Taking the advantage of smooth response surfaces, optimization of reaction rates is efficiently performed. For several benchmark cases, the advantage of using global sensitivity analysis and uncertainty quantification of the objective functions in terms of uncertain reaction rates is demonstrated.
Starting Page	509
Ending Page	526
Page Count	18
File Format	PDF
ISSN	01693913
Journal	Transport in Porous Media
Volume Number	92
Issue Number	2
e-ISSN	15731634
Language	English
Publisher	Springer Netherlands
Publisher Date	2011-12-16
Publisher Place	Dordrecht
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Simulation Emulation Transport First-order Reaction kinetics Hydrogeology Geotechnical Engineering & Applied Earth Sciences Civil Engineering Classical Continuum Physics Industrial Chemistry/Chemical Engineering
Content Type	Text
Resource Type	Article
Subject	Catalysis

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Simulation of Fluid Flow on Fractures and Implications for Reactive Transport Simulations

Numerical Simulation of Reactive Fluid Flow on Unstructured Meshes

Numerical Simulation and Experimental Study of Bimolecular Reactive Transport in Porous Media

Modeling reactive transport using exact solutions for first-order reaction networks

Anomalous Reactive Transport in the Framework of the Theory of Chromatography

Comparison of Numerically Stable Methods for Implementation of a Double Porosity Model with First-Order Reaction Terms

Singular Value Decomposition Method for Multi-species First-order Reactive Transport with Identical Decay Rates

Upscaling Diffusion and Nonlinear Reactive Mass Transport in Homogeneous Porous Media

Characterization of Bimolecular Reactive Transport in Heterogeneous Porous Media

Combining Simulation and Emulation for Calibrating Sequentially Reactive Transport Systems

Similar Documents

Simulation of Fluid Flow on Fractures and Implications for Reactive Transport Simulations

Numerical Simulation of Reactive Fluid Flow on Unstructured Meshes

Numerical Simulation and Experimental Study of Bimolecular Reactive Transport in Porous Media

Modeling reactive transport using exact solutions for first-order reaction networks

Anomalous Reactive Transport in the Framework of the Theory of Chromatography

Comparison of Numerically Stable Methods for Implementation of a Double Porosity Model with First-Order Reaction Terms

Singular Value Decomposition Method for Multi-species First-order Reactive Transport with Identical Decay Rates

Upscaling Diffusion and Nonlinear Reactive Mass Transport in Homogeneous Porous Media

Characterization of Bimolecular Reactive Transport in Heterogeneous Porous Media

Combining Simulation and Emulation for Calibrating Sequentially Reactive Transport Systems