This codebook .txt file was generated on <20211124> by ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset: Aqueous Data and analytical measurements for DOI: doi:10.1021/acsestengg.1c00204 2. Author Information Principal Investigator Contact Information Name: Young Shin Jun Institution: Washington University in St. Louis Address: Department of Energy, Environmental, and Chemical Engineering Washington University in St. Louis One Brookings Drive, Campus Box 1180 St. Louis, Mo, 63130-4899 Email: ysjun@seas.wustl.edu 3. Date of Data collection: Data collected between 20190801 - 20210601 4. Geographic location of data collection: Data collected at Washington University in St. Louis or Argonne National Laboratory 5. Funding sources: Data collection was supported by the United States Environmental Protection Agency under Assistance Agreement No. 84008401. Data was also collected in sector 9-ID-C of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. 6. Contextual description of the data: Data included was used to generate the figure files for the associated publication. -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: Not applicable. 2. Links to publications that cite or use the data: doi:10.1021/acsestengg.1c00204 3. Links to other publicly accessible locations of the data: doi:10.1021/acsestengg.1c00204 4. Links/relationships to ancillary data sets: There are no links or relationships to ancillary data sets. 5. Was data derived from another source? No data in the publication was derived from another source. 6. Recommended citation for the data: doi:10.1021/acsestengg.1c00204 --------------------- DATA & FILE OVERVIEW --------------------- 1. File List A. Filename: Figure1B_1.dat Short description: Wide angle x-ray scattering data for mineral-hydrogel composites B. Filename: Figure1B_2.dat Short description: Wide angle x-ray scattering data for mineral-hydrogel composites C. Filename: Figure1B_3.dat Short description: Wide angle x-ray scattering data for mineral-hydrogel composites D. Filename: Figure1B_4.dat Short description: Wide angle x-ray scattering data for mineral-hydrogel composites E. Filename: Figure2A_I.dat Short description: Ultra-small x-ray scattering data for mineral-hydrogel composites F. Filename: Figure2A_II.dat Short description: Ultra-small x-ray scattering data for mineral-hydrogel composites G. Filename: Figure2A_Fitting_for_I.txt Short description: Fitting for the ultra-small x-ray scattering data for mineral-hydrogel composites H. Filename: Figure2A_Fitting_for_II.txt Short description: Fitting for the ultra-small x-ray scattering data for mineral-hydrogel composites I. Filename: FIGURE_3.xlsx Short description: Aqueous chemistry data and conditions in doi:10.1021/acsestengg.1c00204 J. Filename: FIGURE_5.xlsx Short description: Aqueous chemistry data and conditions in doi:10.1021/acsestengg.1c00204 K. Filename: FigureS2A.txt Short description: Energy dispersive x-ray measurements of mineral-hydrogel composites L. Filename: FigureS2B.txt Short description: Energy dispersive x-ray measurements of mineral-hydrogel composites M. Filename: FigureS2C.txt Short description: Energy dispersive x-ray measurements of mineral-hydrogel composites N. Filename: FigureS2D.txt Short description: Energy dispersive x-ray measurements of mineral-hydrogel composites O. Filename: FigureS3A.txt Short description: Energy dispersive x-ray measurements of mineral-hydrogel composites P. Filename: FigureS3B.txt Short description: Energy dispersive x-ray measurements of mineral-hydrogel composites Q. Filename: FigureS4C.txt Short description: Energy dispersive x-ray measurements of mineral-hydrogel composites R. Filename: SI_FIGURES.xlsx Short description: Aqueous chemistry data and conditions in the Supplementary Information of doi:10.1021/acsestengg.1c00204 2. The files are labelled with the figure number and section that they appear in. 3. No other related data was generated or used for the manuscript. 4. There are not multiple versions of the dataset. -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: Please see the experimental section of doi:10.1021/acsestengg.1c00204. 2. Methods for processing the data: For aqueous chemistry data, averages and standard deviations were generated from triplicate experiments. For characterization (X-ray scattering, imaging, or energy dispersive x-ray measurements), multiple samples or spots (>=3) were measured and representative samples were chosen. 3. Instrument- or software-specific information needed to interpret the data: Excel is necessary to view some of the data. 4. Standards and calibration information, if appropriate: Scandium was used as an internal standard for measurements conducted using an inductively coupled plasma optical emission spectrometer (ICP-OES). Silver Behenate was used as a standard for calibration of x-ray scattering data. 5. Environmental/experimental conditions: Please see doi:10.1021/acsestengg.1c00204 6. Describe any quality-assurance procedures performed on the data: Internal standards and calibration checks were measured for aqueous chemistry data. Appropiate blanks were measured periodicaly for x-ray scattering data. 7. People involved with sample collection, processing, analysis and/or submission: Albern Tan ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure1B_1.dat ----------------------------------------- 1. Number of variables: 3 2. Number of cases/rows: 945 3. Missing data codes: Not applicable. 4. Variable List A. Name: Qvector_A Description: D-spacing (angstrom) B. Name: Intensity Description: Intensity of x-ray scattering (Absolute Units) C. Name: Uncertainty Description: standard deviation of intensity data ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure1B_2.dat ----------------------------------------- 1. Number of variables: 3 2. Number of cases/rows: 945 3. Missing data codes: Not applicable. 4. Variable List A. Name: Qvector_A Description: D-spacing (angstrom) B. Name: Intensity Description: Intensity of x-ray scattering (Absolute Units) C. Name: Uncertainty Description: standard deviation of intensity data ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure1B_3.dat ----------------------------------------- 1. Number of variables: 3 2. Number of cases/rows: 945 3. Missing data codes: Not applicable. 4. Variable List A. Name: Qvector_A Description: D-spacing (angstrom) B. Name: Intensity Description: Intensity of x-ray scattering (Absolute Units) C. Name: Uncertainty Description: standard deviation of intensity data ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure1B_4.dat ----------------------------------------- 1. Number of variables: 3 2. Number of cases/rows: 945 3. Missing data codes: Not applicable. 4. Variable List A. Name: Qvector_A Description: D-spacing (angstrom) B. Name: Intensity Description: Intensity of x-ray scattering (Absolute Units) C. Name: Uncertainty Description: standard deviation of intensity data ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure2A_I.dat ----------------------------------------- 1. Number of variables: 3 2. Number of cases/rows: 299 3. Missing data codes: Not applicable. 4. Variable List A. Name: Qvector_A Description: q vector (angstrom^-1) B. Name: Intensity Description: Intensity of x-ray scattering (Absolute Units) C. Name: Uncertainty Description: standard deviation of intensity data ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure2A_II.dat ----------------------------------------- 1. Number of variables: 3 2. Number of cases/rows: 299 3. Missing data codes: Not applicable. 4. Variable List A. Name: Qvector_A Description: q vector (angstrom^-1) B. Name: Intensity Description: Intensity of x-ray scattering (Absolute Units) C. Name: Uncertainty Description: standard deviation of intensity data ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure2A_Fitting_for_I.txt ----------------------------------------- 1. Number of variables: 2 2. Number of cases/rows: 107 3. Missing data codes: Not applicable. 4. Variable List A. Name: UnifiedFitQvector_1 Description: q vector (angstrom^-1) B. Name: UnifiedFitIntensity_1 Description: Fitted intensity of x-ray scattering (Absolute Units) ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure2A_Fitting_for_II.txt ----------------------------------------- 1. Number of variables: 2 2. Number of cases/rows: 107 3. Missing data codes: Not applicable. 4. Variable List A. Name: QvectorModelLSQF2_2 Description: q vector (angstrom^-1) B. Name: IntensityModelLSQF2_2 Description: Fitted intensity of x-ray scattering (Absolute Units) ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: FIGURE_3.xlsx ----------------------------------------- 1. Number of variables: SEE FILE FOR FORMATTED VARIABLES 2. Number of cases/rows: 2 - 10 3. Missing data codes: Not applicable. 4. Variable List: SEE FILE FOR FORMATTED VARIABLE LIST ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: FIGURE_5.xlsx ----------------------------------------- 1. Number of variables: SEE FILE FOR FORMATTED VARIABLES 2. Number of cases/rows: 3 3. Missing data codes: Not applicable. 4. Variable List: SEE FILE FOR FORMATTED VARIABLE LIST ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: FigureS2A.txt ----------------------------------------- 1. Number of variables: 2 2. Number of cases/rows: 2047 3. Missing data codes: Not applicable. 4. Variable List A. Name: Spec9_X_data Description: X-ray emission energy (keV) B. Name: Spec9_Y_data Description: Intensity of x-ray emission (Absolute Units) ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: FigureS2B.txt ----------------------------------------- 1. Number of variables: 2 2. Number of cases/rows: 2047 3. Missing data codes: Not applicable. 4. Variable List A. Name: Spec3_X_data Description: X-ray emission energy (keV) B. Name: Spec3_Y_data Description: Intensity of x-ray emission (Absolute Units) (Absolute Units) ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: FigureS2C.txt ----------------------------------------- 1. Number of variables: 2 2. Number of cases/rows: 2047 3. Missing data codes: Not applicable. 4. Variable List A. Name: Spec8_X_data Description: X-ray emission energy (keV) B. Name: Spec8_Y_data Description: Intensity of x-ray emission (Absolute Units) ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: FigureS2D.txt ----------------------------------------- 1. Number of variables: 4 2. Number of cases/rows: 2047 3. Missing data codes: Not applicable. 4. Variable List A. Name: Spec4_X_data Description: X-ray emission energy (keV) for red curve in Figure S2D of doi:10.1021/acsestengg.1c00204. B. Name: Spec4_Y_data Description: Intensity of x-ray emission (Absolute Units) for red curve in Figure S2D of doi:10.1021/acsestengg.1c00204. C. Name: Spec5_X_data Description: X-ray emission energy (keV) for black curve in Figure S2D of doi:10.1021/acsestengg.1c00204. D. Name: Spec5_Y_data Description: Intensity of x-ray emission (Absolute Units) for black curve in Figure S2D of doi:10.1021/acsestengg.1c00204. ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: FigureS3A.txt ----------------------------------------- 1. Number of variables: 8 2. Number of cases/rows: 2047 3. Missing data codes: Not applicable. 4. Variable List A. Name: S3_11_X Description: X-ray emission energy (keV) for red curve in Figure S3A of doi:10.1021/acsestengg.1c00204. B. Name: S3_11_Y Description: Intensity of x-ray emission (Absolute Units) for red curve in Figure S3A of doi:10.1021/acsestengg.1c00204. C. Name: S3_12_X Description: X-ray emission energy (keV) for yellow curve in Figure S3A of doi:10.1021/acsestengg.1c00204. D. Name: S3_12_Y Description: Intensity of x-ray emission (Absolute Units) for yellow curve in Figure S3A of doi:10.1021/acsestengg.1c00204. E. Name: S3_14_X Description: X-ray emission energy (keV) for pink curve in Figure S3A of doi:10.1021/acsestengg.1c00204. F. Name: S3_14_Y Description: Intensity of x-ray emission (Absolute Units) for pink curve in Figure S3A of doi:10.1021/acsestengg.1c00204. G. Name: S3_15_X Description: X-ray emission energy (keV) for blue curve in Figure S3A of doi:10.1021/acsestengg.1c00204. H. Name: S3_15_Y Description: Intensity of x-ray emission (Absolute Units) for blue curve in Figure S3A of doi:10.1021/acsestengg.1c00204. ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: FigureS3B.txt ----------------------------------------- 1. Number of variables: 6 2. Number of cases/rows: 2047 3. Missing data codes: Not applicable. 4. Variable List A. Name: S3_16_X Description: X-ray emission energy (keV) for green curve in Figure S3B of doi:10.1021/acsestengg.1c00204. B. Name: S3_16_Y Description: Intensity of x-ray emission (Absolute Units) for green curve in Figure S3B of doi:10.1021/acsestengg.1c00204. C. Name: S3_17_X Description: X-ray emission energy (keV) for purple curve in Figure S3A of doi:10.1021/acsestengg.1c00204. D. Name: S3_17_Y Description: Intensity of x-ray emission (Absolute Units) for purple curve in Figure S3B of doi:10.1021/acsestengg.1c00204. E. Name: S3_19_X Description: X-ray emission energy (keV) for light blue curve in Figure S3B of doi:10.1021/acsestengg.1c00204. F. Name: S3_19_Y Description: Intensity of x-ray emission (Absolute Units) for light blue curve in Figure S3B of doi:10.1021/acsestengg.1c00204. ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: FigureS4C.txt ----------------------------------------- 1. Number of variables: 4 2. Number of cases/rows: 2047 3. Missing data codes: Not applicable. 4. Variable List A. Name: S4_S21_X Description: X-ray emission energy (keV) for the light blue curve in Figure S4C of doi:10.1021/acsestengg.1c00204. B. Name: S4_S21_Y Description: Intensity of x-ray emission (Absolute Units) for the light blue curve in Figure S4C of doi:10.1021/acsestengg.1c00204. A. Name: S4_S22_X Description: X-ray emission energy (keV) the green curve in Figure S4C of doi:10.1021/acsestengg.1c00204. B. Name: S4_S22_Y Description: Intensity of x-ray emission (Absolute Units) the green curve in Figure S4C of doi:10.1021/acsestengg.1c00204. ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: SI_FIGURES.xlsx ----------------------------------------- 1. Number of variables: SEE FILE FOR FORMATTED VARIABLES 2. Number of cases/rows: 2 3. Missing data codes: Not applicable. 4. Variable List: SEE FILE FOR FORMATTED VARIABLE LIST