Supporting data: Reactive JPU/PES matrix modulates phase inversion and dynamic Cu capture in chitosan–ZIF-8 membranes

Description

This dataset is the complete measurement-level record behind the article "Reactive JPU/PES matrix modulates phase inversion and dynamic Cu capture in chitosan-ZIF-8 membranes". Asymmetric membranes were cast by nonsolvent-induced phase separation from a single N,N-dimethylformamide dope in which a Jatropha-derived polyurethane (JPU) precursor carrying 8.12 +/- 0.17 wt% residual isocyanate was blended 50/50 with polyethersulfone (PES), together with chitosan and ZIF-8 as pre-formed dried solids. Five formulations (JPU/PES, JPU/PES/C, JPU/PES/Z, JPU/PES/C/Z and PES/C/Z) and an NCO-capped precursor control were characterised and tested for single-pass Cu capture at 50-150 L m-2 h-1. The deposit is one consolidated workbook, 03_Supporting_Data.xlsx, of 184 sheets: - Fabrication and characterisation: precursor stoichiometry and NCO titration, dope rheology, cloud point and demixing kinetics, bulk porosity, selective-layer thickness, macrovoid fraction, MWCO and bubble point, contact angle, zeta potential, AFM roughness and height maps, thermal and mechanical endpoints. - Randomised 2 x 2 x 2 factorial (FAC-C01): executed randomisation order, 31-point breakthrough curves for all 24 coupons, qdyn,90 analysis and order-averaged contribution analysis. - Single-pass breakthrough: 15-point records for five formulations at three fluxes, three independent stacks per flux, with run-paired membrane digests and model-free front widths. - Anchoring evidence: four-step sequential extraction inventories, 13C CP/MAS and 13C/15N HETCOR arrays, 15N direct-polarisation qNMR quantitation with its calibration, linearity, spike-recovery and inter-day series, and 13C tracer recovery during coagulation. - Surface and structure: EDX spectra and elemental count maps, XPS and Cu LMM arrays, XRD and ATR-FTIR arrays, SEM morphometry. - Regeneration and application boundary: eight EDTA cycles, 30-day hydraulic ageing, Cu compartment balances with recovery denominators M0-M4, competing-ion and feed-matrix series, organic-fouling recovery. - Calculation layer: the analysis source used for the factorial, ageing and digest results, an exact environment record, a value registry and a value-to-source map linking every number reported in the article to the rows it is computed from. Units, instruments and acceptance criteria are given per sheet. START_HERE is the contents guide; Read_me, DATA_ARCHITECTURE and DATA_DICTIONARY describe the sheet groups and column definitions; Table_index maps every manuscript and Supporting Information table to its sheets.

Steps to reproduce

1. Open 03_Supporting_Data.xlsx at START_HERE, which lists the primary sheet for each part of the study. Read_me, DATA_ARCHITECTURE and DATA_DICTIONARY define the sheet groups, column names and units. 2. To recover any number reported in the article, find it in VALUE_REGISTRY_CURRENT (reported value, unit, source sheets) and follow VALUE_SOURCE_MAP to the raw or processed rows it is computed from. Table_index maps each manuscript and Supporting Information table to its sheets. 3. Factorial result: FAC_randomization holds the executed 24-run order; FAC_pointwise holds the 31-point breakthrough curves. qdyn,90 is the trapezoidal permeate-side integral to the linearly interpolated Cp/C0 = 0.90 crossing, evaluated in FAC_qdyn90_analysis, with order-averaged contributions in FAC_Shapley and the summary in FAC_summary. 4. Single-pass capacity: Breakthrough_pointwise_raw holds the 15-point records. qend is the permeate-side integral over the complete scheduled record of a run reaching Cp/C0 >= 0.95; runs that do not reach it are reported as qtrunc. Breakthrough_derived carries V10-V90 and the front width 1 - V10/V90. Membrane_digest_raw and DIGEST_COMPARISON hold the independent digest values for the run-paired comparison. 5. Anchoring: Anchoring_wash_raw and Anchoring_residual hold the four-step extraction inventories; qNMR_AMINE, QNMR_LINEARITY, QNMR_SPIKE_RECOVERY and QNMR_INTERDAY_QC hold the 15N quantitation and its calibration series; 13C15N_HETCOR holds the correlation volumes. 6. End-to-end recomputation: ANALYSIS_SCRIPT contains the Python source used for the factorial, ageing and digest calculations, and ANALYSIS_ENVIRONMENT records the interpreter and library versions (Python 3.14.2, NumPy 2.4.6, SciPy 1.17.1, pandas 3.0.3, Matplotlib 3.11.0). CODE_QDYN90 and CODE_QUANTIFY_15N_DP hold the two endpoint routines. The script uses relative paths and reads only the deposited sheets. 7. Formulas are live: capacity, retention, mass-balance and mean +/- sample SD cells recompute from their source ranges, so an edited input propagates through the workbook. Experimental protocols, instrument settings and acceptance criteria are given in the Supporting Information of the article; this workbook holds the measurements those protocols produced.

Institutions

• Universiti Putra Malaysia

  Selangor, Seri Kembangan

Categories

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