Parallel Kinetic Pathways in Arsine Generation: Oxygen Modulation and Mechanistic Evidence in FIAS Systems

Description of the Dataset This repository contains the experimental data and simulation files associated with the study “Parallel Kinetic Pathways in Arsine Generation: Oxygen Modulation and Mechanistic Evidence in FIAS Systems.” The data support the mechanistic interpretation that arsine generation proceeds through two kinetically distinct pathways, strongly modulated by the gaseous environment and the oxidative behavior of borane-type intermediates. The Excel sheets included here contain time‑resolved absorbance profiles, experimental conditions, and simulation outputs used to analyze: The coexistence of two kinetic pathways under air as carrier gas. The formation of single vs. dual peak profiles depending on the gaseous environment (air vs. argon). The effect of oxygen flow, pumping rate, and carrier gas composition on signal shape and temporal behavior. The stability of arsenic‑bearing species during atomizer shutdown. The construction and validation of simulation models for hydride formation and transport. 2. File Inventory The repository includes several Excel files, each containing one or more sheets with experimental or simulated data. The sheet names correspond to specific experimental conditions: Actual data and simulation for 80 RPM, with air as carrier, H₂O and HCl Time‑resolved profiles and simulation outputs under air with different liquid phases. Actual data for 80 RPM profiles with carrier Argon Experimental signals showing single‑peak behavior under inert atmosphere. Actual data for the profiles at 100 and 120 RPM, with Argon as the carrier Comparison of rotational speeds and their effect on arsine transport. Actual data from the profiles for changes in the flow of Ar as an inert entrained gas Influence of argon flow rate on peak position and shape. Real data and simulation for 120 RPM, with air as carrier, H₂O and HCl; simulation construction Combined experimental and modeled profiles illustrating oxygen‑dependent acceleration. Real data of the As profiles as a function of airflow as a carrier Effect of increasing oxygen availability on the dual‑peak structure数据集说明 本仓库包含与研究《胂生成中的平行动力学路径：FIAS系统中的氧调控与机理证据》相关的实验数据与模拟文件。该数据支撑了下述机理阐释：胂生成通过两条动力学上截然不同的路径进行，且该过程受气态环境与硼烷类中间体的氧化行为显著调控。 本文附带的Excel工作表包含用于分析以下内容的时间分辨吸光度曲线、实验条件与模拟输出： 1. 以空气为载气时两条动力学路径的共存现象 2. 气态环境（空气 vs 氩气）对单峰与双峰曲线轮廓的影响 3. 氧气流量、抽速与载气组分对信号形状及时间响应特性的作用 4. 雾化器停机过程中含砷物种的稳定性 5. 氢化物生成与输运模拟模型的构建与验证 2. 文件清单 本仓库包含多个Excel文件，每个文件内含一张或多张包含实验或模拟数据的工作表，工作表名称对应具体的实验条件： - 以空气为载气、添加H₂O与HCl、转速80 RPM的实测数据与模拟结果 - 不同液相条件下空气氛围中的时间分辨曲线与模拟输出 - 以氩气为载气、转速80 RPM的转速曲线实测数据 - 惰性气氛下单峰信号行为的实验数据 - 以氩气为载气、转速100与120 RPM的曲线实测数据 - 转速对比及其对胂输运的影响 - 作为惰性夹带气的氩气流量变化对应的曲线实测数据 - 氩气流量对峰位置与峰形的影响 - 以空气为载气、添加H₂O与HCl、转速120 RPM的实测数据与模拟结果（含模型构建内容） - 展示氧依赖加速效应的组合实验与建模曲线 - 作为载气的空气流量对应的砷浓度曲线实测数据 - 氧供给量提升对双峰结构的影响