Dynamics of electron collision with potential biofuel: N-butanol

被引:7
作者
Bhavsar, Nirali [1 ]
Jani, Tejas [1 ]
Vinodkumar, P. C. [2 ]
Limbachiya, Chetan [3 ]
Vinodkumar, Minaxi [1 ]
机构
[1] VP & RPTP Sci Coll, Vallabh Vidyanagar, Gujarat, India
[2] Sardar Patel Univ, Dept Phys, Vallabh Vidyanagar, Gujarat, India
[3] Maharaja Sayajirao Univ Baroda, Dept Appl Phys, Vadodara, Gujarat, India
关键词
IONIZATION CROSS-SECTIONS; IMPACT IONIZATION; EMISSION CHARACTERISTICS; ROTATIONAL-EXCITATION; ELASTIC-SCATTERING; MASS-SPECTRA; 1-BUTANOL; ENERGY; SPECTROSCOPY; PERFORMANCE;
D O I
10.1016/j.radphyschem.2022.110504
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A detailed theoretical investigation of electron impact collision on n-butanol, a potential biofuel, is carried out over a wide energy impact range from 0.1 to 5000 eV. The low energy scattering calculations from 0.1 to 20 eV are performed using UK molecular R-matrix method via Quantemol-N software. This scattering investigation aims to predict various resonances by providing dissociative electron attachment via C-O bond cleavage. Furthermore, the study focuses on estimating several cross-sections namely elastic, differential, momentum transfer, excitation, ionization and total cross-section. In addition, we also computed higher energy cross-section from the ionization threshold to 5000 eV using the spherical complex optical potential (SCOP) method. A good agreement is observed between the computed cross-section at the overlapping energies of employing (SCOP and R-matrix) formalisms. Apart from the scattering study, we also obtained various resonances having significance at low energy. Theoretically predicted resonance peaks agree well with previously reported data and a few new resonance states are also identified. The cross-sectional data presented here will be beneficial as an input parameter modelling electron transport processes during the spark ignition.
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页数:12
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