Synthetic Pulsed Current Anion Sensor Data for Multiple Nonspecific Ion Selective Electrodes - Simulated Mixed Ion Responses

Dataset Overview This dataset contains synthetic electrochemical feature data generated to expand coverage of mixed-ion conditions for a multi-electrode polymer sensor array. The synthetic data were created from experimentally measured single-ion responses using an approximate RC-Voigt framework and a noninteracting-ion assumption. The dataset is intended for machine learning and statistical modeling workflows that require broad concentration-space coverage beyond the experimentally measured combinations. Scientific Context and Generation Logic Initial experiments measured potential-vs-time responses for polymer-coated PPy electrodes (PAN, PVA, PVC) across single ions and selected mixtures. To extend condition coverage, synthetic responses were generated by: fitting single-ion potential-time traces with an RC-type response model; estimating ion-specific resistance and capacitance trends vs concentration using quadratic fits in -log10(c); combining ion responses under a first-order noninteracting assumption to obtain total circuit parameters; generating potential-time trajectories and extracting compact temporal descriptors. Synthetic concentration combinations were sampled for nitrate, chloride, and hydrogen phosphate over 10^-5 to 10^-1 M, resulting in 500,000 synthetic samples. Data Utility This dataset supports: supervised learning to predict ion concentrations from electrochemical descriptors; feature selection and model benchmarking across electrode-specific response spaces; analysis of sensitivity to electrode-to-electrode variability; rapid simulation-driven hypothesis testing for mixed-ion sensing. Data Organization Format: Parquet (columnar) Rows: 500,000 Columns: 206 Row unit: one synthetic mixed-ion condition with engineered response features Core concentration and indexing fields synthetic_id: unique row identifier added for public release Ca, Cb, Cg: ion concentrations (M) used to generate each sample pCa, pCb, pCg: transformed concentrations, defined as -log10(Ca), -log10(Cb), -log10(Cg) r_tot: modeled total resistance term used in synthetic response generation Electrode feature blocks For each electrode (PAN01-03, PVA01-03, PVC01-03), the table includes 22 descriptors: *_v1 to *_v10: potential descriptors at 1-10 s *_slope_1_to_2 ... *_slope_9_to_10: adjacent-interval slopes *_slope_1_to_5, *_slope_5_to_10, *_slope_1_to_10: windowed average slopes Total electrode descriptors: 9 electrodes x 22 features = 198 columns.