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Thermal Formation of Polycyclic Aromatic Hydrocarbons from Cyclopentadiene (CPD)
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  • Thermal Formation of Polycyclic Aromatic Hydrocarbons from Cyclopentadiene (CPD)
저자명
Kim. Do-Hyong,Kim. Jeong-Kwon,Jang. Seong-Ho,Mulholland. James A.,Ryu. Jae-Yong
간행물명
Environmental engineering research
권/호정보
2007년|12권 5호|pp.211-217 (7 pages)
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대한환경공학회
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

Polycyclic aromatic hydrocarbon growth from cyclopentadiene (CPD) pyrolysis was investigated using a laminar flow reactor operating in a temperature range of 600 to $950^{circ}c$. Major products from CPD pyrolysis are benzene, indene and naphthalene. Formation of observed products from CPD is explained as follows. Addition of the cyclopentadienyl radical to a CPD $pi$-bond produces a resonance-stabilized radical, which further reacts by one of three unimolecular channels: intramolecular addition, C-H bond $eta$-scission, or C-C bond $eta$-scission. The intramolecular addition pathway produces a 7-norbornenyl radical, which then decomposes to indene. Decomposition by C-H bond $eta$-scission produces a biaryl intermediate, which then undergoes a ring fusion sequence that has been proposed for dihydrofulvalene-to-naphthalene conversion. In this study, we propose C-C bond $eta$-scission pathway as an alternative reaction channel to naphthalene from CPD. As preliminary computational analysis, Parametric Method 3 (PM3) molecular calculation suggests that intramolecular addition to form indene is favored at low temperatures and C-C bond $eta$-scission leading to naphthalene is predominant at high temperatures.