کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
6594292 | 458004 | 2016 | 18 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
An experimental and kinetic modeling study of γ-valerolactone pyrolysis
ترجمه فارسی عنوان
یک مطالعه مدلسازی تجربی و جنبشی از آئروآلبولولون آئروآلولاکتون پیرولیز
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
چکیده انگلیسی
The pyrolysis of γ-valerolactone, a cyclic ester readily obtainable from cellulosic biomass and which has potential as a fuel, was investigated from 873 to 1113 K at 0.17 MPa in a tubular continuous flow reactor. Unimolecular decomposition of γ-valerolactone forms 4-pentenoic acid and its selectivity increases upon addition of toluene, a radical scavenger. A kinetic model, consisting of 520 species and 3589 reactions, was developed. Kinetic and thermodynamic data relevant for γ-valerolactone consumption, including hydrogen abstraction, hydrogen addition and fuel radical decomposition, were calculated at the CBS-QB3 level of theory. Experimental and calculated mole fraction profiles are in good agreement. Reaction path analysis shows that γ-valerolactone is mainly consumed by isomerization to 4-pentenoic acid and hydrogen abstraction from the carbon atom α to the carbonyl group and the carbon atom α to the ring oxygen. CC scission of 4-pentenoic acid forming allyl and carboxy methyl is an important source of radicals.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Combustion and Flame - Volume 164, February 2016, Pages 183-200
Journal: Combustion and Flame - Volume 164, February 2016, Pages 183-200
نویسندگان
Ruben De Bruycker, Hans-Heinrich Carstensen, Marie-Françoise Reyniers, Guy B. Marin, John M. Simmie, Kevin M. Van Geem,