Synthesis and properties of symmetric glycerol-derived 1,2,3-triethers and 1,3-diether-2-ketones for CO2 absorption
Synthesis and properties of symmetric glycerol-derived 1,2,3-triethers and 1,3-diether-2-ketones for CO2 absorption
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DOI：
10.1016/j.ces.2021.117150
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发表时间：
2022-02
影响因子：
4.7
通讯作者：
Shuai Qian;Xiaoyang Liu;C. Turner;J. Bara
中科院分区：
文献类型：
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作者：
Shuai Qian;Xiaoyang Liu;C. Turner;J. Bara
具有甘油骨架的五种化合物：1，3-二乙氧基-2-丙酮（[E，K，E]），2，5，9，12-四氧杂十三烷-7-酮（[ME，K，ME]），1，3-bis（2，2，2-三氟乙氧基）丙-2-酮（[F，K，F]），7-（2-甲氧基乙氧基）-2，5，9，12-四氧杂十三烷（[ME，ME，ME]）和2-以环氧氯丙烷为原料，在摩尔比范围内高区域选择性地合成了（2-甲氧基乙氧基）-1，3-双（2，2，2-三氟乙氧基）丙烷（[F，ME，F]）-。在293.15至353.15 K的温度范围内测量密度和粘度。在303.15、318.15、333.15和348.15 K下，获得了中等压力（2 ~ 10 atm）下CO2的亨利常数。通过比较聚乙二醇二甲醚（DMPG）和离子液体（ILs）对CO2的亲合性，发现[ME，ME，ME]和[F，ME，F]是一种优良的CO2捕集物理溶剂。通过密度泛函（DFT）计算，了解了CO2吸收机理的结构-性质-性能关系.所有五种化合物与除己烷和水之外的大多数常见溶剂混溶。除了气体吸收应用之外，这些化合物还可用作通用绿色溶剂。
Five compounds bearing glycerol skeletons: 1,3-diethoxypropan-2-one ([E, K, E]), 2,5,9,12-tetraoxatridecan-7-one ([ME, K, ME]), 1,3-bis(2,2,2-trifluoroethoxy)propan-2-one ([F, K, F]), 7-(2-methoxyethoxy)-2,5,9,12-tetraoxatridecane ([ME, ME, ME]) and 2-(2-methoxyethoxy)-1,3-bis(2,2,2-trifluoroethoxy)propane ([F, ME, F]) – were synthesized from epichlorohydrin at molar scales with high regioselectivity. Density and viscosity were measured over a temperature range of 293.15 to 353.15 K. Henry’s constants for CO2were obtained under moderate pressures (2 to 10 atm) at 303.15, 318.15, 333.15 and 348.15 K. Comparison of CO2affinity with dimethyl ethers of polyethylene glycol (DMPEG) and ionic liquids (ILs) indicated that [ME, ME, ME] and [F, ME, F] are excellent candidates as novel physical solvents for CO2capture. DFT calculations were performed to understand the structure–property-performance relationships for the CO2absorption mechanism. All five compounds were miscible with most common solvents except hexanes and water. In addition to gas absorption applications, these compounds might also find use as general purpose green solvents.