人工智能赋能工业固废基吸附剂开发的研究进展与前景展望

Research Progress and Prospects of AI-enabled Development of Adsorbents Derived from Industrial Solid Waste

  • 摘要: 人工智能(AI)技术正日益成为推动工业固体废物资源化利用的重要支撑工具。固废基吸附剂的开发作为固废资源化利用的重要方向, 面临着原料来源复杂、工艺缺乏规律性指导、参数优化高度依赖试错实验等问题。AI技术在数据提取、合成路径优化、性能预测与高通量筛选等关键环节展现出显著的应用潜力。本文通过系统梳理AI在金属有机框架、沸石、生物炭等典型多孔材料体系中的应用进展, 分析其向工业固废材料体系的迁移路径与适配机制, 并总结其在当前固废基吸附剂开发中的具体实践。结合AI在固废材料领域应用中面临的主要挑战, 指出未来应着力于标准化数据体系建设、多尺度模拟方法集成与跨学科协同机制构建, 为固废基吸附剂的智能化开发提供坚实的理论支撑与技术路径指引。

     

    Abstract: Artificial intelligence (AI) technologies are becoming vital tools in promoting the resource utilization of industrial solid waste (ISW) and the intelligent development of waste-derived adsorbents. As the preparation of ISW-based adsorbents is increasingly regarded as a promising utilization pathway, it still faces major obstacles such as the complexity and variability of raw materials, the lack of rule-based guidance in process design, and a heavy reliance on trial-and-error parameter optimization. In this context, AI demonstrates significant potential in key stages of adsorbent development, including experimental data extraction and structuring, synthesis pathway design using algorithmic optimization, property-performance relationship modeling through machine learning, and high-throughput virtual screening enabled by intelligent surrogate models. This review summarizes the progress of AI applications in representative porous materials such as metal-organic frameworks, zeolites and biochar, with emphasis on how different AI models, such as artificial neural networks, decision trees and support vector machines, have been employed to guide synthesis conditions, predict adsorption capacity and identify key descriptors. In addition, practical explorations of AI-enabled ISW-derived adsorbent development are reviewed. Finally, key challenges such as fragmented data, limited model interpretability and complex pollutant-material interactions, are discussed. Future research is suggested to focus on building standardized and shareable data infrastructures, incorporating multiscale simulations that couple quantum-level and process-level insights, enhancing model interpretability via explainable AI techniques and fostering interdisciplinary collaboration to advance the intelligent development of ISW-based adsorbents.

     

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