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Optimize the co-solvent for methanol in diesel with group of oxygen-containing reagents: Molecular structure and intermolecular forces analysis
Fuel Processing Technology ( IF 7.2 ) Pub Date : 2021-08-05 , DOI: 10.1016/j.fuproc.2021.106980
Zixiang Gao 1 , Shiliang Wu 1 , Junyi Luo 1 , Bo Zhang 1 , Huiyan Zhang 1 , Rui Xiao 1
Affiliation  

Oxygen-containing fuels or additives used to reduce the pollutant emissions from diesel combustion have the potential as a co-solvent to prepare methanol/diesel blends, however their performance has less been evaluated, especially how their molecular structure affects the solubility of methanol in diesel. In this work, the abilities of higher alcohols, long-chain ethers and esters to improve the solubility of methanol in diesel were investigated, and intermolecular forces were also analyzed according to the solubility parameters. Results show that different performance for oxygen-containing chemicals as a co-solvent to prepare methanol/diesel blends originates from different contribution of various functional groups to their Hansen solubility parameters (HSPs) and the fraction of HSPs. And dispersion solubility parameter larger than 15.9 and its fraction in the range of 0.45–0.64 were proposed as a reference for choosing a suitable co-solvent to prepare methanol/diesel blends. Besides, it was found that 1-Octanol exhibits excellent performance as a co-solvent to prepare stable methanol/diesel blends, and can substantially reduce the PODE or methyl palmitate usage when they being used in preparing methanol/diesel mixtures.



中文翻译:

用一组含氧试剂优化柴油中甲醇的共溶剂:分子结构和分子间力分析

用于减少柴油燃烧污染物排放的含氧燃料或添加剂具有作为制备甲醇/柴油混合物的共溶剂的潜力,但对其性能的评估较少,特别是它们的分子结构如何影响甲醇在柴油中的溶解度. 本文研究了高级醇、长链醚和酯提高甲醇在柴油中溶解度的能力,并根据溶解度参数分析了分子间作用力。结果表明,含氧化学品作为共溶剂制备甲醇/柴油混合物的不同性能源于各种官能团对其汉森溶解度参数 (HSP) 和 HSP 分数的不同贡献。且分散溶解度参数大于 15。9 及其在 0.45-0.64 范围内的分数被提议作为选择合适的共溶剂来制备甲醇/柴油混合物的参考。此外,发现1-辛醇作为共溶剂制备稳定的甲醇/柴油混合物表现出优异的性能,并且在用于制备甲醇/柴油混合物时可以显着减少PODE或棕榈酸甲酯的使用。

更新日期:2021-08-05
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