Modeling the Crystallization of Aviation Fuels Containing Different Amounts of Aromatic Hydrocarbons

IF 0.8 4区 化学 Q4 CHEMISTRY, PHYSICAL Russian Journal of Physical Chemistry A Pub Date : 2025-04-05 DOI:10.1134/S0036024424703291
M. N. Mamontov, A. P. Oshchenko
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Abstract

Thermodynamic modeling is used to study the effect additives of a number of organic substances have on the temperatures of incipient crystallization of kerosene fractions (KFes) derived from crude oil (straight-run KFes (SRKFs)) and produced in the catalytic hydrocracking of heavy oil residues (HCKFs). Normal paraffins \({{{\text{C}}}_{n}}{{{\text{H}}}_{{2n + 2}}}\) (n = 9, 11, 16) are used as additives to KFes, and m-ethylbutylbenzene is employed as an aromatic hydrocarbon. It is shown the UNIFAC and UNIQUAC models allow the reproduction of published experimental data showing that adding normal paraffins to HCKFs greatly raises the freezing point when n ≥ 11. For SRKFs, this rise starts at n = 16. Calculations show that m-ethylbutylbenzene additives have hardly any effect on the temperature of incipient crystallization.

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含不同量芳烃的航空燃料结晶模拟
采用热力学模型研究了几种有机物质添加剂对重油渣油催化加氢裂化过程中煤油馏分(直馏馏分,SRKFs)结晶温度的影响。正构烷烃\({{{\text{C}}}_{n}}{{{\text{H}}}_{{2n + 2}}}\) (n = 9,11,16)作为KFes的添加剂,间乙基丁基苯作为芳香烃。结果表明,UNIFAC和UNIQUAC模型允许复制已发表的实验数据,表明当n≥11时,向hckf中加入正构烷烃大大提高了凝固点。对于SRKFs,这种上升从n = 16开始。计算表明,间乙基丁基苯添加剂对结晶初期温度几乎没有影响。
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来源期刊
CiteScore
1.20
自引率
14.30%
发文量
376
审稿时长
5.1 months
期刊介绍: Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world. Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.
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