Transforming Cl-Containing Waste Plastics into Carbon Resource for Steelmaking: Theoretical Insight

IF 4.3 Q2 ENGINEERING, CHEMICAL

ACS Engineering Au Pub Date : 2023-09-15 DOI:10.1021/acsengineeringau.3c00021

M. Hussein N. Assadi*, and , Esmail Doustkhah*,

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引用次数: 0

Abstract

The accumulation of waste plastics poses a significant environmental challenge, leading to persistent pollution in terrestrial and aquatic ecosystems. A practical approach to address this issue involves the transformation of postconsumer waste plastics into industrially valuable products. This study focuses on an example of harnessing the carbon content in these polymers for carbon-demanding industrial processes, thereby reducing waste plastics from the environment and alleviating the demand for mined carbon resources. Employing quantum simulations, we examine the viability of polychloroprene as a carburizing agent in the steelmaking process. Our simulations reveal that polychloroprene exhibits excellent carbon diffusivity in molten iron, with a theoretical diffusion coefficient of 8.983 × 10^–5cm² s^–1. This value competes favorably with that of metallurgical coke and surpasses the carbon diffusivity of other polymers, such as polycarbonate, polyurethane, and polysulfide. Additionally, our findings demonstrate that the chlorine content in polychloroprene does not permeate into molten iron but instead remains confined to the molten iron and slag interface.

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将含氯废塑料转化为炼钢用碳资源：理论见解。

废塑料的积累对环境构成了重大挑战，导致陆地和水生生态系统的持续污染。解决这一问题的一种切实可行的方法是将消费后的废塑料转化为具有工业价值的产品。这项研究的重点是利用这些聚合物中的碳含量进行碳需求工业过程，从而减少环境中的废塑料，缓解对开采碳资源的需求。通过量子模拟，我们检验了氯丁作为渗碳剂在炼钢过程中的可行性。我们的模拟表明，氯丁在铁液中表现出优异的碳扩散性，理论扩散系数为8.983×10-5cm2 s-1。该值与冶金焦炭的值相竞争，并超过其他聚合物（如聚碳酸酯、聚氨酯和多硫化物）的碳扩散率。此外，我们的研究结果表明，氯丁橡胶中的氯含量不会渗透到熔融铁中，而是保持在熔融铁和炉渣界面。

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ACS Engineering Au 化学工程技术-

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期刊介绍：）ACS Engineering Au is an open access journal that reports significant advances in chemical engineering applied chemistry and energy covering fundamentals processes and products. The journal's broad scope includes experimental theoretical mathematical computational chemical and physical research from academic and industrial settings. Short letters comprehensive articles reviews and perspectives are welcome on topics that include:Fundamental research in such areas as thermodynamics transport phenomena (flow mixing mass & heat transfer) chemical reaction kinetics and engineering catalysis separations interfacial phenomena and materialsProcess design development and intensification (e.g. process technologies for chemicals and materials synthesis and design methods process intensification multiphase reactors scale-up systems analysis process control data correlation schemes modeling machine learning Artificial Intelligence)Product research and development involving chemical and engineering aspects (e.g. catalysts plastics elastomers fibers adhesives coatings paper membranes lubricants ceramics aerosols fluidic devices intensified process equipment)Energy and fuels (e.g. pre-treatment processing and utilization of renewable energy resources; processing and utilization of fuels; properties and structure or molecular composition of both raw fuels and refined products; fuel cells hydrogen batteries; photochemical fuel and energy production; decarbonization; electrification; microwave; cavitation)Measurement techniques computational models and data on thermo-physical thermodynamic and transport properties of materials and phase equilibrium behaviorNew methods models and tools (e.g. real-time data analytics multi-scale models physics informed machine learning models machine learning enhanced physics-based models soft sensors high-performance computing)