实验数据集的逆水气转移反应在固定床反应堆设置在不同的反应堆条件下
Enzo Komatz1, Marion Andritz1, Christoph Markowitsch1
1Montanuniversität Leoben, Chair of Process Technology and Industrial Environmental Protection, Franz-Josef-Strasse 18, 8700 Leoben, Austria.
Data in brief
|February 6, 2026
概括
本研究介绍了小型工厂规模逆水气转移 (rWGS) 实验的数据集. 这些数据支持模型验证和开发,以有效利用CO2和生产H2.
科学领域:
- 化学工程是化学工程的重要组成部分.
- 催化科学 催化科学
- 数据科学数据科学数据科学
背景情况:
- 反向水气转移 (rWGS) 反应对于将二氧化碳转化为CO和H2等有价值产品至关重要.
- 准确的实验数据对于开发和验证用于rWGS过程的动力和模拟模型至关重要.
- 迷你植物规模的数据提供了实验室规模研究和工业应用之间的桥梁.
研究的目的:
- 为了呈现一个全面的数据集的小型工厂规模的rWGS实验.
- 为透明度和公平数据原则提供处理的测量和链接到可重复的数据处理.
- 通过为模型开发和验证提供数据来支持rWGS技术的进步.
主要方法:
- 在小型工厂规模的加热固定床反应堆中进行rWGS实验.
- 系统地改变运行条件:温度 (550-950°C),H2:CO2料比率 (2:1到3:1) 和气体每小时空间速度 (8000-20,000h-1).
- 处理原始数据,包括信号校准,平滑,干气计算和不确定性估计.
主要成果:
- 一个包含稳定状态反应器温度,CO2,CO,H2,CH4的摩尔分数以及CO2转换和CO选择性等衍生指标的数据集.
- 详细,可重复的数据处理工作流程,确保FAIR数据原则.
- 涵盖广泛参数空间的数据,对动力和模拟模型开发具有重要意义.
结论:
- 提出的数据集对于验证机械动力学模型和对rWGS反应堆的CFD模拟进行基准测试是有价值的.
- 这些数据可以用于训练机器学习模型,包括基于物理的框架.
- 公共可用的原始和加工数据确保了 FAIR 访问,并促进了用于推进 rWGS 技术的重复使用.
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