Optimizing Indoor Microclimate and Thermal Comfort Through Sorptive Active Elements: Stabilizing Humidity for Healthier Living Spaces – raw and processed data

====================================================================
DATASET: Raw and Processed Data on Five Clay Mixtures for Stabilizing
Indoor Humidity (Sorptive Active Elements)
====================================================================

1. GENERAL INFORMATION
--------------------------------------------------------------------

Associated publication:
Peterková, J.; Zach, J.; Novák, V.; Korjenic, A.; Sulejmanovski, A.;
Sesto, E. (2024). Optimizing Indoor Microclimate and Thermal Comfort
Through Sorptive Active Elements: Stabilizing Humidity for Healthier
Living Spaces. Buildings, 14(12), 3836.
DOI: https://doi.org/10.3390/buildings14123836

Associated projects:
Study of the hygroaccumulative effect of natural based materials
and their influence on the moisture stability of the indoor
environment of buildings
Austrian Science Fund (FWF) [https://doi.org/10.55776/I6398]
Grant DOI: 10.55776/I6398 | Project number: I 6398-N
Czech Science Foundation | Project number: 23-06542K

Dataset authors:

  Name                       Affiliation                       ORCID
  -------------------------  --------------------------------  --------------------
  Jitka Peterková            Brno University of Technology      0000-0002-5545-4515
  Jiří Zach                  Brno University of Technology      0000-0002-0426-8317
  Vítězslav Novák            Brno University of Technology      0000-0002-9204-5884
  Azra Korjenic              TU Wien                            0000-0002-2904-9532
  Abdulah Sulejmanovski      TU Wien                            0009-0002-2995-8936
  Eldira Sesto               TU Wien                            -

Contact for questions about this dataset:
Jitka Peterková (Brno University of Technology): jitka.peterkova@vut.cz

License (data, documentation, metadata): CC BY 4.0 (Creative Commons Attribution 4.0 International)
https://creativecommons.org/licenses/by/4.0/
License (code in scripts/): MIT License (see scripts/LICENSE.txt)

2. SHORT DESCRIPTION
--------------------------------------------------------------------

This dataset contains the raw and processed laboratory data for five
clay mixtures (A-E) that differ in their dominant clay minerals
(A: kaolinite-illite, B: kaolinite-illite with more illite,
C: kaolinite, D: montmorillonite, E: illite). The underlying study
investigated how the mineral composition influences the sorption
behavior and the moisture buffering capacity of non-fired clay
elements that can stabilize the indoor relative humidity (target range
40-50 % RH).

Tests included: chemical composition, particle size distribution
(laser granulometry, dry and wet path), methylene blue index,
optimum moisture content of the plastic dough (Pfefferkorn apparatus),
sensitivity to drying (Bigot test, SDB), flexural tensile and
compressive strength of the hardened clay, sorption and desorption
isotherms, and moisture buffering capacity (35 -> 65 % RH).

Data collection period:
  - Bigot drying test (SDB): September-October 2023
  - sorption/desorption isotherms: January-February 2024

3. METHODOLOGY (summary - see publication Section 2 for full details)
--------------------------------------------------------------------

- Raw materials: chemical composition (Table 1), mineralogy by XRD
  (PANalytical Empyrean, qualitative evaluation with the Rietveld
  method), optical microscopy (Keyence VHX-950F), particle size
  distribution with a Malvern Mastersizer laser granulometer (dry path
  and wet path in propan-2-ol).

- Plastic dough: methylene blue index (ASTM C837-09, Gp = V / m);
  optimum moisture content according to CSN 72 1074 (Pfefferkorn
  apparatus, deformation ratio d = 0.6, linear interpolation between
  two doughs); sensitivity to drying (Bigot coefficient SDB) according
  to CSN 72 1565-1 (specimens 100 x 50 x 20 mm, gradual drying, final
  drying at 110 degrees C).

- Hardened clay: flexural tensile and compressive strength of beams
  (CSN 72 1565-7, dried at 105 degrees C); sorption/desorption isotherms
  (EN ISO 12571, saturated salt solutions at 23 degrees C, 33/53/75/85/98 % RH);
  moisture buffering capacity (modified DIN 18947, 23 degrees C,
  35 <-> 65 % RH, weighing every hour for 12 h).

Software used: Python (Jupyter Notebook) for the evaluation of the
raw data; Microsoft Excel workbooks for the calculations of the
laboratory tests (live formulas).

4. FILE DESCRIPTION
--------------------------------------------------------------------
Note: Due to repository constraints, all files are provided within
a single ZIP archive to preserve the folder
structure described below. The README itself is additionally
provided as a separate, unpacked file for quick reference.
A column-by-column description of all data files (names, meaning,
units) is given in metadata/data_dictionary.csv.

README.txt                             - this file
LICENSE.txt                            - full text of CC BY 4.0 (data, documentation, metadata)

metadata/
  data_dictionary.csv                  - description and unit of every column of every data file
  equipment_list.csv                   - details of experimental hardware used
  known_data_anomalies_notes.txt       - notes for interpretation (conventions, deviations, known quirks)
  materials_list.csv                   - the five clay mixtures and auxiliary materials
  moisture_buffering_room_scenario.csv - room scenario used to put the moisture buffering result into perspective
  requirements.txt                     - python environment dependencies
  sorption_desorption_rh_conditions.csv - RH steps and saturated salt solutions of the isotherm tests
  standards_applied.txt                - overview of ISO/DIN/EN/CSN/ASTM standards applied

raw_data/
  clay_characterization/
    clay_chemical_composition.csv      - oxide composition of the five mixtures (Table 1)
    clay_sieve_analysis_dry_path.csv   - laser granulometry, dry path: volume fraction per size class
    clay_sieve_analysis_wet_path.csv   - laser granulometry, wet path (propan-2-ol): replicates and instrument averages
    clay_particle_size_parameters_dry_path.csv - d(0.1), d(0.5), d(0.9) and instrument settings, dry path
    clay_particle_size_parameters_wet_path.csv - d(0.1), d(0.5), d(0.9) and instrument settings, wet path
    clay_xrd_pattern_A.jpg ... clay_xrd_pattern_E.jpg - X-ray diffractograms of the five mixtures (K kaolinite, I illite,
                                         M mica/muscovite, Q quartz, O orthoclase, A additional phase)
  plastic_dough/
    clay_methylene_blue_index.csv      - sample mass and consumed methylene blue solution (Table 2)
    clay_pfefferkorn_optimal_moisture.csv - Pfefferkorn test (water added, slide weighing, cylinder heights before/after)
  hardened_clay/
    clay_sdb_bigot_shrinkage.csv       - mass and length during gradual drying (Bigot test), 3 specimens per mixture
    clay_mechanical_properties.csv     - flexural and compressive test data, 2 beams per mixture
    clay_mbv_raw_timeseries.csv        - mass vs. time during the 35 -> 65 % RH step, 2 specimens per mixture
    clay_sorption_desorption.csv       - repeated weighings of the sorption/desorption samples

processed_data/
  methylene_blue_index.csv             - degree of plasticity Gp per mixture
  pfefferkorn_derived.csv              - deformation ratios and moisture contents of the doughs
  pfefferkorn_optimum_moisture.csv     - interpolated optimum moisture content w_opt per mixture
  sdb_bigot_shrinkage.csv              - critical moisture and Bigot coefficient SDB per specimen
  sdb_per_clay.csv                     - mean SDB and classification per mixture
  mechanical_properties_derived.csv    - flexural and compressive strength per beam
  mbv_derived.csv                      - moisture uptake G(t) per specimen, 1-12 h
  mbv_mean_per_clay.csv                - mean G(t) per mixture, 1-12 h
  sorption_desorption_derived.csv      - equilibrium moisture contents per mixture and RH step
  paper_tables_summary.csv             - values of the publication's tables and figures with the file each value was calculated from
  figure_data/                         - data plotted in the figures of the publication
    figure17_sieve_analysis_dry_path.csv      - cumulative particle size curves, dry path (Figure 17)
    figure18_sieve_analysis_wet_path.csv      - cumulative particle size curves, wet path (Figure 18)
    figure19_flexural_tensile_strength.csv    - mean flexural tensile strength (Figure 19)
    figure20_compressive_strength.csv         - mean compressive strength (Figure 20)
    figure21_25_sorption_isotherms.csv        - sorption/desorption isotherms of mixtures A-E (Figures 21-25)
  calculation/
    calc_clay_methylene_blue_index.xlsx - Gp = V / m
    calc_clay_pfefferkorn_optimal_moisture.xlsx - deformation ratios, moisture contents, interpolation of w_opt
    calc_clay_sdb_bigot_shrinkage.xlsx  - moisture/shrinkage during drying, fit, w_kb and SDB
    calc_clay_mechanical_properties.xlsx - flexural and compressive strength
    calc_clay_mbv.xlsx                  - G(t) per specimen and mean per mixture (Table 4)
    calc_clay_sorption_desorption.xlsx  - equilibrium moisture content per RH step; sheet isotherm_plot_values: plotted values (Figures 21-25)
    calc_clay_sieve_analysis_dry_path.xlsx - cumulative curves, dry path
    calc_clay_sieve_analysis_wet_path.xlsx - cumulative curves, wet path

scripts/
  LICENSE.txt                          - MIT License (code in this folder)
  evaluation.ipynb                     - reads raw_data/, calculates all derived quantities, writes the CSV files in
                                         processed_data/ (including figure_data/ and paper_tables_summary.csv) and
                                         compares the results with the Excel workbooks

5. HOW TO CITE
--------------------------------------------------------------------

When reusing this dataset, please cite the associated publication:

  Peterková, J. et al. (2024). Optimizing Indoor Microclimate and
  Thermal Comfort Through Sorptive Active Elements: Stabilizing
  Humidity for Healthier Living Spaces. Buildings, 14(12), 3836.
  https://doi.org/10.3390/buildings14123836

6. FUNDING ACKNOWLEDGEMENT
--------------------------------------------------------------------

This research was funded within a bilateral research project between
the Czech Republic and Austria: Czech Science Foundation (23-06542K)
and Austrian Science Fund (FWF) [https://doi.org/10.55776/I6398].

7. DATA TO SCRIPT / CALCULATION MAPPING
--------------------------------------------------------------------

Run scripts/evaluation.ipynb from the folder scripts/ (relative paths,
python environment in metadata/requirements.txt). It needs only the
files in raw_data/ and writes all CSV files in processed_data/ except
the Excel workbooks in processed_data/calculation/, which contain the same
calculations as live formulas. The last cell of the notebook compares both.

   Raw data (CSV in /raw_data/)                Calculation workbook / result file (/processed_data/)       Paper
   ------------------------------------------  ----------------------------------------------------------  ------------
   clay_chemical_composition.csv               (reported directly)                                         Table 1
   clay_sieve_analysis_dry_path.csv            calculation/calc_clay_sieve_analysis_dry_path.xlsx,         Fig. 17
                                               figure_data/figure17_sieve_analysis_dry_path.csv
   clay_sieve_analysis_wet_path.csv            calculation/calc_clay_sieve_analysis_wet_path.xlsx,         Fig. 18
                                               figure_data/figure18_sieve_analysis_wet_path.csv
   clay_particle_size_parameters_*.csv         (instrument values)                                         Section 3
   clay_xrd_pattern_A.jpg ... _E.jpg           (images)                                                    Fig. 12-16
   clay_methylene_blue_index.csv               calculation/calc_clay_methylene_blue_index.xlsx,            Table 2
                                               methylene_blue_index.csv
   clay_pfefferkorn_optimal_moisture.csv       calculation/calc_clay_pfefferkorn_optimal_moisture.xlsx,    Table 3
                                               pfefferkorn_derived.csv, pfefferkorn_optimum_moisture.csv
   clay_sdb_bigot_shrinkage.csv                calculation/calc_clay_sdb_bigot_shrinkage.xlsx,             Table 3
                                               sdb_bigot_shrinkage.csv, sdb_per_clay.csv
   clay_mechanical_properties.csv              calculation/calc_clay_mechanical_properties.xlsx,           Fig. 19, 20
                                               mechanical_properties_derived.csv, figure_data/figure19_*, figure20_*
   clay_mbv_raw_timeseries.csv                 calculation/calc_clay_mbv.xlsx,                             Table 4
                                               mbv_derived.csv, mbv_mean_per_clay.csv
   clay_sorption_desorption.csv                calculation/calc_clay_sorption_desorption.xlsx,             Fig. 21-25
                                               sorption_desorption_derived.csv,
                                               figure_data/figure21_25_sorption_isotherms.csv

   paper_tables_summary.csv lists, for each reported property, the
   file from which the value was calculated.