Определение закономерностей совместного превращения одноатомного спирта алифатического ряда и парафина нормального строения в условиях каталитического крекинга на примере модельной смеси н-гексадекан–изопропанол

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Определены закономерности совместного крекинга одноатомного спирта алифатического ряда и парафина нормального строения на примере модельной смеси н-гексадекан–изопропанол. Анализ температурных зависимостей константы скорости крекинга н-гексадекана и н-гексадекана в смеси с изопропанолом указывает на эффект промотирования крекинга углеводорода при его совместном превращении с алифатическим спиртом. Данные о составе продуктов крекинга модельной смеси показывают, что характер распределения продуктов в присутствии алифатического спирта существенно не меняется. Основную часть газообразных продуктов составляет пропан-пропиленовая фракция. Методом DFT-моделирования показана разница в энергиях адсорбции н-гексадекана и изопропанола при температурах крекинга.

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作者简介

Петр Липин

Институт катализа СО РАН

编辑信件的主要联系方式.
Email: lipin@ihcp.ru
ORCID iD: 0000-0002-3337-6827

Центр новых химических технологий ИК СО РАН, к. х. н.

俄罗斯联邦, 644040, Омск

Владислав Ковеза

Институт катализа СО РАН

Email: lipin@ihcp.ru
ORCID iD: 0000-0003-3103-7925

Центр новых химических технологий ИК СО РАН

俄罗斯联邦, 644040, Омск

Олег Потапенко

Институт катализа СО РАН

Email: lipin@ihcp.ru
ORCID iD: 0000-0002-2755-7998

Центр новых химических технологий ИК СО РАН, к. х. н.

俄罗斯联邦, 644040, Омск

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2. Fig. 1. Dependence of the conversion of n-hexadecane (■) and n-hexadecane in the model mixture n-hexadecane–isopropanol (■) on the cracking temperature.

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3. Fig. 2. Temperature dependence of the cracking rate constant of n-hexadecane (■) and the model mixture n-hexadecane–isopropanol (■).

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4. Fig. 3. Scheme of joint conversion of n-hexadecane and isopropanol on zeolite catalysts (ZeOH–BCS zeolite).

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5. Fig. 4. Hydrocarbon composition of liquid products of n-hexadecane cracking (a) and model mixture n-hexadecane–isopropanol (b): 350 (■), 400 (■), 450 (■) and 500°C (■), where n-P, iso-P are normal and iso-paraffins; n-O, iso-O are normal and iso-olefins; H is naphthenes; mA and pA are monoaromatic and polyaromatic hydrocarbons.

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6. Fig. 5. Conformers of n-hexadecane obtained as a result of conformational analysis: (a) — conformation with the lowest energy; (b) — linear conformation with the lowest energy. Color designation of atoms: white — hydrogen, blue — carbon.

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7. Fig. 6. Distribution of n-hexadecane conformers: (a) – from the distance between the terminal carbon atoms C1…C16 and the distance between the central atom C8 in the n-hexadecane molecule and the BAC located at the intersection of two supercages, obtained as a result of molecular dynamics at a temperature of 698 K; (b) – from the distance between the terminal carbon atoms C1…C16 and energies in the range from 0 to 5 kJ/mol, relative to the energy of the conformer with the lowest energy, obtained as a result of conformational analysis.

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8. Fig. 7. Optimized geometry of adsorbed n-hexadecane (a) and isopropanol (b) on the BAC of lanthanum-modified zeolite Y. Atom color coding: white – hydrogen, blue – carbon, yellow – silicon, soft pink – aluminum, golden – lanthanum.

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