Narmin Noorani , Sina Pourebrahimi , Abbas Mehrdad
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引用次数: 0
Abstract
To enhance the CO2 adsorption of almond shell-derived activated carbon (AC) samples treated with cold oxygen plasma, the samples were impregnated with cholinium-amino acid ionic liquids ([Cho][AA] ILs) using the vacuum-assisted impregnation method. The physicochemical and textural properties of the resulting composites (ILs@AC) were characterized using various techniques, including Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), scanning electron microscopy (SEM) coupled with energy-dispersive X-ray (EDX) spectroscopy, and Brunauer-Emmett-Teller (BET) surface area measurement. The CO2 adsorption performance of the samples was evaluated using a quartz crystal microbalance (QCM) over a temperature range of 288.15–308.15 K and gas pressures up to 1 bar. The IL@AC composite materials exhibited notably improved CO2 adsorption capacities compared to pristine AC. The CO2 adsorption isotherms onto the IL@AC composite samples closely conformed to the Langmuir isotherm model, indicating the dominant involvement of strong intermolecular interactions, particularly driven by amine functionalities. Meanwhile, the results revealed that [Cho][His]@AC showed lowered CO2 adsorption capacity compared to [Cho][Pro]@AC and [Cho][Gln]@AC. Among the studied ionic liquids, [Cho][Pro]@AC showed the highest absorption capacity (2.332 mmol·g−1 at 288 K and 1 bar). This was due to the obstruction of internal pores within the AC structure caused by excessive amine incorporation into its porous framework. In the meantime, for a deeper insight into the impregnation process of ILs onto the AC surfaces and their potential interactions with CO2 molecules, we conducted density-functional theory (DFT) calculations using the ωB97XD/6-31 + G(d,p) method. The calculated interaction energies, ranging from − 1.19 to − 1.44 eV, along with calculated quantum chemical descriptors, indicated a notable stabilization of IL species on the AC surfaces, with high affinity toward CO2 molecules.
为了提高经冷氧等离子体处理的杏仁壳活性炭(AC)样品对二氧化碳的吸附能力,采用真空辅助浸渍法对样品进行了胆碱-氨基酸离子液体([Cho][AA] ILs)浸渍。利用傅立叶变换红外光谱(FTIR)、热重分析(TGA)、扫描电子显微镜(SEM)和能量色散 X 射线(EDX)光谱以及布鲁纳-埃美特-泰勒(BET)比表面积测量等多种技术对所制备复合材料(ILs@AC)的物理化学和质构特性进行了表征。使用石英晶体微天平(QCM)在 288.15-308.15 K 的温度范围和高达 1 bar 的气体压力下评估了样品的二氧化碳吸附性能。与原始 AC 相比,IL@AC 复合材料的二氧化碳吸附能力明显提高。IL@AC复合材料样品上的二氧化碳吸附等温线与Langmuir等温线模型非常吻合,这表明强分子间相互作用,特别是胺官能团的驱动在其中起了主导作用。同时,研究结果表明,与[Cho][Pro]@AC和[Cho][Gln]@AC相比,[Cho][His]@AC对二氧化碳的吸附能力较低。在所研究的离子液体中,[Cho][Pro]@AC 的吸收能力最高(288 K 和 1 bar 条件下为 2.332 mmol-g-1)。这是因为 AC 结构的多孔框架中加入了过量的胺,导致内部孔隙受阻。同时,为了更深入地了解 IL 在 AC 表面的浸渍过程及其与 CO2 分子的潜在相互作用,我们采用 ωB97XD/6-31 + G(d,p) 方法进行了密度泛函理论(DFT)计算。计算得出的相互作用能在 - 1.19 至 - 1.44 eV 之间,量子化学描述符的计算结果也表明,IL 物种在 AC 表面上具有显著的稳定性,对 CO2 分子具有很高的亲和力。
期刊介绍:
The Journal of CO2 Utilization offers a single, multi-disciplinary, scholarly platform for the exchange of novel research in the field of CO2 re-use for scientists and engineers in chemicals, fuels and materials.
The emphasis is on the dissemination of leading-edge research from basic science to the development of new processes, technologies and applications.
The Journal of CO2 Utilization publishes original peer-reviewed research papers, reviews, and short communications, including experimental and theoretical work, and analytical models and simulations.