Allen M. Shapiro 2018 groundwater model Reston, VA U.S. Geological Survey https://doi.org/10.5066/P963WPSO Allen M. Shapiro Rebecca J. Brenneis 2018 Publication Journal of Contaminant Hydrology Vol. 3 Amsterdam, Netherlands Elsevier https://doi.org/10.1016/j.jconhyd.2018.09.001 Simulations of one-dimensional (1-D) diffusion and adsorption of trichloroethene (TCE) in a rock matrix are conducted using rock properties identified from a mudstone aquifer in the Newark Basin, near West Trenton, New Jersey. The simulations are conducted using a finite-difference algorithm that was prepared for this investigation to solve the equation for 1-D diffusion and linear equilibrium adsorption. The simulations are conducted for a hypothesized 1-D section of a rock matrix and the georeferencing is based on the locations of the rock core samples that were collected and analyzed as part of this investigation. The rock matrix is assumed to be adjacent to a fracture, where the TCE concentration in the fracture is responsible for diffusion into and out of the rock matrix. The fraction of organic carbon (foc) in the rock matrix can either be spatially uniform or spatially variable. Spatial variability in foc is defined from the mean and standard deviation of a log-normally distributed parameter. Other rock properties controlling the diffusion and adsorption of TCE in the rock matrix are assumed to be spatially uniform. Simulations of diffusion and adsorption into the rock matrix are conducted for four cases. These cases are: (1) spatially uniform foc equal to the average of foc from all rock samples; (2) spatially uniform foc equal to the maximum foc from all rock samples; (3) spatially uniform foc equal to the average foc from the Black Fissile (BLK-FIS) mudstone samples; (4) spatially variable foc defined from the statistics of the BLK-FIS mudstone samples. This USGS data release contains all of the input and output files for the simulations described in the associated journal article (https://doi.org/10.1016/j.jconhyd.2018.09.001). The simulations were conducted to investigate the effect of the spatial variability of foc on the retention and release of TCE in a rock matrix. Simulations using spatially variable and spatially uniform foc are conducted to compare the effect of spatial variability in foc on the longevity of TCE remaining in the rock matrix. The development of the model input and output files included in this data release are documented in the article published in the Journal of Contaminant Hydrology (https://doi.org/10.1016/j.jconhyd.2018.09.001). Support is provided for correcting errors in the data release and clarification of the modeling conducted by the U.S. Geological Survey. Users are encouraged to review the journal article (https://doi.org/10.1016/j.jconhyd.2018.09.001) to understand the purpose, construction, and limitations of the model and simulations. The model archive is broken into several pieces to reduce the likelihood of download timeouts. Instructions for reconstructing the original directory structure and running the models included in this data release and described in the journal article can be found in the readme.txt ASCII file which can be downloaded as part of this data release. 2018 publication date Complete None planned -74.81228649616243 -74.8119217157364 40.2690930526443 40.268720575626574 USGS Thesaurus usgsgroundwatermodel adsorption inlandWaters mathematical simulation contaminant transport sedimentary rocks carbon ISO 19115 Topic Category geoscientificInformation environment inlandWaters USGS Metadata Identifier USGS:9da6cb09-c60a-4ea9-a7ee-2fbbab3e258c Geographic Names Information System (GNIS) New Jersey West Trenton Mercer County Olsen, P.E., Kent, D.V., Cornet, B., Witte, W. L., Schlische, R.W., 1996. High-resolution stratigraphy of the Newark rift basin (Early Mesozoic, eastern North America). Geological Society of America Bulletin 108: 40-77. Newark Basin Lockatong Formation Mudstone None. Acknowledgement of the U.S. Geological Survey would be appreciated in products derived from this data release. none Allen M Shapiro U.S. Geological Survey Hydrologist Mailing and Physical

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Reston VA 20192 United States 703-648-5884 ashapiro@usgs.gov https://water.usgs.gov/GIS/browse/Shapiro2018_JourContHydrol.jpg Image of the model domain and active area of the model. jpg Department of Defense, Environmental Security Technology Certification Program (ESTCP); U.S. Navy Allen M. Shapiro Christopher E. Evans 2017 dataset Reston, Virginia U.S. Geological Survey https://doi.org/10.5066/f7gx48rz Allen M. Shapiro Erin C. Hayes 2017 dataset https://www.sciencebase.gov U.S. Geological Survey https://doi.org/10.5066/f70z71gm No formal attribute accuracy tests were conducted No formal logical accuracy tests were conducted Data set is considered complete for the information presented, as described in the abstract. Users are advised to read the rest of the metadata record and the associated journal article (https://doi.org/10.1016/j.jconhyd.2018.09.001) for additional details. No formal positional accuracy tests were conducted No formal positional accuracy tests were conducted The process used to develop and apply the model of one-dimensional diffusion and adsorption in a rock matrix is fully described in the model documentation in the journal article (https://doi.org/10.1016/j.jconhyd.2018.09.001). 2018 Raster pixel Transverse Mercator 0.9996 -75.0 0.0 500000.0 0.0 coordinate pair 0.00001 0.00001 meters North American Vertical Datum of 1988 0.1 meters Attribute values Shapiro2018_JourContHydrol.shp ESRI Polygon shapefile U.S. Geological Survey Area Bounding area where rock core were collected for analysis of organic carbon content. https://doi.org/10.1016/j.jconhyd.2018.09.001 usgsgroundwatermodel Bounding area where rock core were collected for analysis of organic carbon content. https://doi.org/10.1016/j.jconhyd.2018.09.001 Shapiro, A.M., 2018, A finite-difference algorithm used to simulate one-dimensional diffusion and adsorption of trichloroethene in a rock matrix: U.S. Geological Survey data release https://doi.org/10.5066/P963WPSO U.S. Geological Survey Michael Ierardi IT Specialist mailing and physical

445 National Center

Reston Virginia 20192 USA 1-888-275-8747 (1-888-ASK-USGS) mierardi@usgs.gov The data have been approved for release by the U.S. Geological Survey (USGS). Although the data have been subjected to rigorous review and are substantially complete, the USGS reserves the right to revise the data pursuant to further analysis and review. Furthermore, the data are released on the condition that neither the USGS nor the U.S. Government shall be held liable for any damages resulting from authorized or unauthorized use. Although the data, software, and related material have been processed successfully on a computer system at the USGS, no warranty expressed or implied is made regarding the display or utility of the data for other purposes, nor on all computer systems, nor shall the act of distribution constitute any such warranty. The USGS or the U.S. Government shall not be held liable for improper or incorrect use of the data described and/or contained herein. Any use of trade, product, or firm names is for descriptive purposes only and does not imply endorsement by the U.S. Government. readme.txt 1.0 ASCII text file This ASCII text file describes the model data release. This file also includes descriptions of the input and output files and instructions on how to run the models contained in this data release. 0.015 https://water.usgs.gov/GIS/dsdl/gwmodels/Shapiro2018_JourContHydrol/readme.txt modelgeoref.txt 1.0 ASCII text file This ASCII text file defines the four corners of the model domain. Model coordinates are in decimal degrees 0.001 https://water.usgs.gov/GIS/dsdl/gwmodels/Shapiro2018_JourContHydrol/modelgeoref.txt bin.zip 1.0 ZIP File This zip file contains the binary executable file, 1D_Diffusion_Adsorption_Simulation.exe, used to do the analysis documented in this data release. 0.420 https://water.usgs.gov/GIS/dsdl/gwmodels/Shapiro2018_JourContHydrol/bin.zip georef.zip 1.0 ZIP File This ZIP file contains the ArcGIS shapefile that defines the area where rock core samples were collected for analyses of organic carbon fraction (foc) used to do the analysis documented in this data release. 0.001 https://water.usgs.gov/GIS/dsdl/gwmodels/Shapiro2018_JourContHydrol/georef.zip model.zip 1.0 ZIP File This ZIP file contains the input files for the the four model simulations documented in this data release. 0.004 https://water.usgs.gov/GIS/dsdl/gwmodels/Shapiro2018_JourContHydrol/model.zip output.zip 1.0 ZIP File This ZIP file contains the output files for the the four model simulations documented in this data release. 1.517 https://water.usgs.gov/GIS/dsdl/gwmodels/Shapiro2018_JourContHydrol/output.zip source.zip 1.0 ZIP File This Zip file contains the contains the FORTRAN language source code for the program, 1D_Diffusion_Adsorption_Simulation, documented in this data release. 0.007 https://water.usgs.gov/GIS/dsdl/gwmodels/Shapiro2018_JourContHydrol/source.zip None 20201117 U.S. Geological Survey Ask USGS -- Water Webserver Team mailing

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Reston VA 20192 1-888-275-8747 (1-888-ASK-USGS) mierardi@usgs.gov FGDC Content Standards for Digital Geospatial Metadata FGDC-STD-001-1998