Supporting data: Reactive JPU/PES matrix modulates phase inversion and dynamic Cu capture in chitosan–ZIF-8 membranes
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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.
本数据集为论文《Reactive JPU/PES matrix modulates phase inversion and dynamic Cu capture in chitosan-ZIF-8 membranes》背后的完整测量级原始记录。 本研究采用非溶剂致相分离法,以单一N,N-二甲基甲酰胺(N,N-dimethylformamide)为铸膜溶剂,将负载8.12±0.17 wt%残留异氰酸酯的麻风树基聚氨酯(Jatropha-derived polyurethane, JPU)前驱体与聚醚砜(polyethersulfone, PES)以50/50比例共混,再与预成型干燥固态的壳聚糖(chitosan)和ZIF-8一同配制成铸膜液,制备不对称膜。共对5种配方(JPU/PES、JPU/PES/C、JPU/PES/Z、JPU/PES/C/Z及PES/C/Z)以及1组封端异氰酸酯前驱体对照组进行表征,并在50~150 L·m⁻²·h⁻¹的通量下开展单程铜离子捕获测试。 本数据集包含一个整合式工作簿03_Supporting_Data.xlsx,共含184个工作表,具体分类如下: - 制备与表征模块:前驱体化学计量比与异氰酸酯滴定数据、铸膜液流变性能、浊点与分相动力学、本体孔隙率、选择性层厚度、大孔体积分数、分子量截留值(molecular weight cutoff, MWCO)与起泡点、接触角、Zeta电位(zeta potential)、原子力显微镜(Atomic Force Microscope, AFM)粗糙度与高度图、热学与力学性能终点数据。 - 随机2×2×2析因实验(FAC-C01)模块:随机执行顺序、全部24个试样的31点穿透曲线、q_dyn,90分析与顺序平均贡献分析数据。 - 单程穿透曲线模块:5种配方在3种通量下的15点记录,每种通量对应3组独立膜组件,包含运行配对的膜消化数据与无模型前沿宽度数据。 - 锚定验证模块:四步连续萃取清单、¹³C交叉极化/魔角旋转(¹³C CP/MAS)与¹³C/¹⁵N异核相关(HETCOR)谱图阵列、¹⁵N直接极化定量核磁共振(quantitative Nuclear Magnetic Resonance, qNMR)及其校准、线性度、加标回收率与日间重复性序列数据,以及混凝过程中的¹³C示踪剂回收率数据。 - 表面与结构模块:能量色散X射线光谱(Energy Dispersive X-ray Spectroscopy, EDX)谱图与元素计数图、X射线光电子能谱(X-ray Photoelectron Spectroscopy, XPS)与Cu LMM谱图阵列、X射线衍射(X-ray Diffraction, XRD)与衰减全反射傅里叶变换红外光谱(Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy, ATR-FTIR)谱图阵列、扫描电子显微镜(Scanning Electron Microscope, SEM)形貌表征数据。 - 再生与应用边界模块:8次乙二胺四乙酸(Ethylenediaminetetraacetic acid, EDTA)循环测试数据、30天水力老化数据、以M0-M4为回收基准的铜离子舱室平衡数据、竞争离子与进料基质序列数据、有机污染恢复数据。 - 计算层模块:用于析因实验、老化测试与膜消化结果分析的数据源、精确环境记录、数值注册表,以及将论文中报告的所有数值与其计算来源行关联的数值-来源映射表。 各工作表均标注了单位、仪器与验收标准。START_HERE为内容导航表;Read_me、DATA_ARCHITECTURE与DATA_DICTIONARY用于说明工作表分组与列定义;Table_index则将所有论文与支撑信息表格映射至对应的工作表。




