Salicylic acid-induced single-step synthesis of multimorphic anhydrous MgCO3 from brucite waste: Characterization, mechanism, and DFT calculation

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel Pub Date : 2024-11-29 DOI:10.1016/j.fuel.2024.133865

Jiayi Liu , Yulian Wang , Wanzhong Yin , Haoran Sun , Yu Xie , Xueming Yin , Jin Yao

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引用次数: 0

Abstract

The brucite production generates a large amount of powdered solid waste, which presents significant challenges for direct utilization. Utilizing brucite for CO₂ mineralization enables solid waste reuse and CO₂ utilization and storage. In this study, multimorphic anhydrous MgCO₃ was synthesized from brucite solid waste and salicylic acid using a one-step method. The results indicate that higher temperatures and longer hydrothermal times favor the anhydrous MgCO₃ formation. Cubic, hexagonal block and columnar anhydrous MgCO₃ were synthesized by regulating the salicylic acid additions. The formation mechanism reveals that coordination between salicylic acid and Mg²⁺ inhibits Mg²⁺ hydration, preventing the hydrated MgCO₃ formation. Phenol and phenolate anion derived from salicylic acid decomposition adsorb onto the anhydrous MgCO₃ surfaces, regulating crystal growth. Characterization results and DFT calculations show that the salicylate, phenolate anion, and phenol form ionic coordination bonds and hydrogen bonds with Mg²⁺/anhydrous MgCO₃, achieving chelation and adsorption, which modulate the phase transition and morphology of crystal. Anhydrous MgCO₃ shows potential applications in flame retardancy, electronic component enhancement, photoelectrochemical energy storage, and wastewater treatment. This method represents a comprehensive green technology for CO₂ reduction and anhydrous MgCO₃ synthesis, shortening the preparation process for high-value-added magnesium products, and offering broad industrial prospects.

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水杨酸诱导水镁石废弃物单步合成多晶无水MgCO3：表征、机理及DFT计算

水镁石生产产生大量粉状固体废物，对直接利用提出了重大挑战。利用水镁石进行二氧化碳矿化可以实现固体废物的再利用和二氧化碳的利用与封存。本研究以水镁石固体废弃物和水杨酸为原料，采用一步法合成了多晶无水MgCO3。结果表明，较高的温度和较长的热液时间有利于无水MgCO3的形成。通过调节水杨酸的添加量，合成了立方、六方块和柱状无水MgCO3。水杨酸与Mg2+的配位抑制了Mg2+的水合作用，阻止了水合MgCO3的形成。水杨酸分解产生的苯酚和酚酸阴离子吸附在无水MgCO3表面，调节晶体生长。表征结果和DFT计算表明，水杨酸盐、酚酸盐阴离子和苯酚与Mg2+/无水MgCO3形成离子配位键和氢键，实现螯合和吸附，调节了晶体的相变和形态。无水MgCO3在阻燃、电子元件增强、光电化学储能和废水处理等方面具有潜在的应用前景。该方法代表了一种全面的绿色减排和无水MgCO3合成技术，缩短了高附加值镁产品的制备过程，具有广阔的工业前景。

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来源期刊

Fuel 工程技术-工程：化工

CiteScore

12.80

自引率

20.30%

发文量

3506

审稿时长

64 days

期刊介绍： The exploration of energy sources remains a critical matter of study. For the past nine decades, fuel has consistently held the forefront in primary research efforts within the field of energy science. This area of investigation encompasses a wide range of subjects, with a particular emphasis on emerging concerns like environmental factors and pollution.