Rational design of microporous biochar based on ion exchange using carboxyl as an anchor for high-efficiency capture of gaseous p-xylene
Rational design of microporous biochar based on ion exchange using carboxyl as an anchor for high-efficiency capture of gaseous p-xylene
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基于羧基为锚的离子交换微孔生物炭的合理设计用于高效捕获气态对二甲苯
DOI：
10.1016/j.seppur.2021.120402
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发表时间：
2021-12
影响因子：
8.6
通讯作者：
Sun Lei
中科院分区：
文献类型：
--
作者：
Yuan Dan;Zhang Lisheng;Wan Shungang;Sun Lei
从废气中捕集对二甲苯是当务之急，因为它被列为第一类致癌物，对人类生存环境造成极大危害。在本研究中，设计了一种简便的合成路线，通过酯化和离子交换制备微孔生物炭（CABCs），并在碳化前在生物炭前体表面相继引入羧基和碱金属离子。 CABC 在捕获对二甲苯方面表现出优异的性能。最佳制备条件为柠檬酸浓度0.6 mol L−1、KOH浓度2 mol L−1、碳化温度800 ℃、时间60 min。 CABC 的孔径为 1.48 nm，比未经柠檬酸改性的生物炭前体衍生的 n-CABC 大 2.60 倍。水分的存在对捕获对二甲苯有负面影响。此外，利用准二级动力学和Langmuir等温模型很好地描述了CABCs对二甲苯的吸附，在313 K时单层最大吸附容量为110.74 mg g−1。此外，基于密度泛函理论和分子动力学模拟的理论计算证明了对二甲苯在CABCs上的吸附特性，以指导孔径的优化。此外，对二甲苯吸附本质上是吸热自发的，吸附机理主要包括微孔填充和π-π相互作用。
Capturingp-xylene from waste gas is a top priority, as it is classified as a Group I carcinogen, which can cause great harm to the human living environment. In this study, a facile synthetic route was designed to prepare microporous biochar (CABCs) through esterification and ion exchange and successively introduce carboxyl and alkali metal ions on the surface of biochar precursor before carbonation. The CABCs showed excellent performance in capturingp-xylene. The optimal preparation conditions were citric acid concentration of 0.6 mol L−1, KOH concentration of 2 mol L−1, carbonization temperature of 800 °C, and time of 60 min. The pore size of CABCs was 1.48 nm, which was 2.60-fold larger than n-CABCs derived from biochar precursor without citric acid modification. The presence of moisture had a negative effect on capturingp-xylene. In addition, the adsorption ofp-xylene onto CABCs was described well using pseudo-second-order kinetic and Langmuir isothermal models, and the maximum monolayer adsorption capacity was 110.74 mg g−1at 313 K. Furthermore, the adsorption properties ofp-xylene onto CABCs were demonstrated by theoretical calculations based on density functional theory and molecular dynamics simulation to guide the optimization of pore size. Moreover,p-xylene adsorption was endothermic and spontaneous in nature, and the adsorption mechanism primarily included micropore filling and π–π interaction.
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