Supporting data: Residual isocyanate in a Jatropha polyurethane/PES matrix anchors chitosan and adds to single-pass copper capacity

Description

This dataset holds the data behind the article "Residual isocyanate in a Jatropha polyurethane/PES matrix anchors chitosan and adds to single-pass copper capacity" (Zeng, Zainal Abidin, Omar, Harun; Universiti Putra Malaysia). Asymmetric membranes were cast by nonsolvent-induced phase separation from N,N-dimethylformamide dopes in which a Jatropha-derived polyurethane (JPU) precursor carrying residual isocyanate (NCO) was blended 50/50 with polyethersulfone (PES), with chitosan and ZIF-8 as modifiers. Four modifier-bearing formulations (JPU/PES/C, JPU/PES/Z, JPU/PES/C/Z and PES/C/Z), NCO-capped precursor controls and a randomised 2 x 2 x 2 matrix x chitosan x ZIF-8 factorial were characterised and tested for single-pass Cu capture at 50-150 L m-2 h-1. The deposit is one workbook, 03_Supporting_Data.xlsx: - T_ sheets: Tables 1-4 and Tables S1-S54 of the article and Supporting Information as reported, with full captions. - A_ sheets: run-level records of the factorial and its replication, single-pass breakthrough and digests, breakthrough fits, eight-cycle EDTA regeneration, 30-day hydraulic duty, sequential chitosan extraction, NCO register, modifier inventory, stack and pressure-tap series, XPS, tensile and AFM. - B_ sheets: coupon- and point-level records of the protonatable-nitrogen titration, Cu isotherms with the membrane-free vessel blank, N 1s/O 1s matrix controls, zinc release, active-versus-capped paired blocks, gel fraction, porosity estimators, extraction controls and stack pressure under the Cu challenge. - C_ sheets: 15N qNMR and 13C/15N HETCOR records with all NMR spectra and acceptance series, the 13C coagulation tracer, XRD and ATR-FTIR spectra, EDX composition, EDS spectra and maps, FESEM morphometry and organic-fouling records. START_HERE lists the sheet groups; TABLE_INDEX maps every table to its sheet and record sheets; SHEET_INDEX describes each sheet; PROVENANCE gives the source of each data family. The reference data of the unmodified JPU/PES (50/50 DMF) matrix are those of Zeng et al., J. Membr. Sci. (2026) 126309 (https://doi.org/10.1016/j.memsci.2026.126309), deposited at https://doi.org/10.17632/wn47krc8p6.5.

Steps to reproduce

1. Open 03_Supporting_Data.xlsx at START_HERE. TABLE_INDEX lists each table of the article and Supporting Information, the T_ sheet holding it as reported and the A_, B_ and C_ sheets holding the records it is computed from. 2. Factorial: A_FAC_runs holds the 24 runs in executed randomised order with mass, flux, qdyn,90 and breakthrough volumes; A_FAC_cells, A_FAC_effects and A_FAC_path_Shapley give the cell means, effects and attribution; A_FAC_replication holds the independent replication campaign. qdyn,90 is the trapezoidal permeate-side integral of (Cf - Cp) over V/m to the first linearly interpolated Cp/C0 = 0.90 crossing. 3. Single pass: A_SP_runs and A_SP_summary hold the runs and cell summaries of the modifier-bearing formulations; qend is integrated over the complete record of a run reaching Cp/C0 >= 0.95 and is compared with the run-paired membrane digest (A_Digest_agreement). The unmodified JPU/PES rows of Table 3 are the records of Zeng et al. (2026), evaluated on the same convention (Table S49). 4. Isotherms: B_Isotherm_points holds the bottle records corrected with the membrane-free vessel blank (B_Isotherm_vessel_blank); B_Isotherm_fits and B_Isotherm_selection give the Langmuir, Freundlich and Sips fits and the selection rule. 5. Anchoring: A_Extraction_* and B_SeqExtr_* hold the four-step sequential extraction; C_qNMR_amine with the C_qNMR_ acceptance series and C_NMR_ spectra give the 15N inventory of urea-linked chitosan nitrogen; C_HETCOR_volumes the 13C/15N correlation. 6. Values are mean +/- sample SD over independent units unless a caption states otherwise. Instruments, acquisition settings and acceptance criteria are given in the Supporting Information of the article.

Institutions

• Universiti Putra Malaysia

  Selangor, Seri Kembangan

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