Oxidation study of n-propylamine with SVUV-photoionization molecular-beam mass spectrometry

ZH Zheng, D Wang, W Li, XP Yu, TL Lv… - Proceedings of the …, 2023 - Elsevier
This work reports the experimental results of n-propylamine (NPA) oxidation in a jet-stirred
reactor at 1 atm within 625–875 K, equivalence ratios from 0.5 to 2.0. Oxidation products and …

Theoretical study of hydrogen abstraction by HO 2 radicals from primary straight chain amines C n H 2n+ 1-NH 2 (n= 1–4)

Y Bao, X Liu, Z He, J Shi - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Hydrogen abstraction reactions by HO2 radicals from four primary amines including
methylamine (MA), ethylamine (EA), n-propylamine (PA), and n-butylamine (BA), are …

Combustion kinetics of n-propylamine: Theoretical calculations and ignition delay time measurements

Z Zhang, C Li, Y Luo, Y Shang, J Shi, H Ning, SN Luo - Fuel, 2022 - Elsevier
To better understand the combustion chemistry and improve the model performance of
aliphatic amines, the kinetics of H-abstraction reactions from n-propylamine (NPA) by H, CH …

Experimental and kinetic modeling study of iso-propylamine oxidation with SVUV-time of flight mass spectrometry

ZH Zheng, KR Jin, D Wang, W Li, XP Yu, TL Lv… - Combustion and …, 2024 - Elsevier
Atmospheric oxidation experiments of iso-propylamine (IPA) were conducted in a jet-stirred
reactor over the temperature range from 550 to 870 K at fuel-equivalence ratios of 0.5 and …

Benchmark calculations of proton affinity and gas‐phase basicity using multilevel (G4 and G3B3), B3LYP and MP2 computational methods of para‐substituted …

ZS Safi, N Wazzan - Journal of Computational Chemistry, 2021 - Wiley Online Library
This study presents the benchmark calculations of proton affinities (PAs) and gas‐phase
basicities (GBs) of 8‐para substituted benzaldehyde compounds using the multilevel model …

Ab initio kinetics of hydrogen abstraction reactions of iso-propylamine

Y Bao, S Zhang, Y Xu, YB Zhu, X Liu, J Shi - Fuel, 2024 - Elsevier
Kinetics of amine-based biofuels in the atmosphere and combustion are mainly initiated by
hydrogen abstraction reactions with small radicals, which are crucial in understanding their …

Disclosing the thermal reactions of aliphatic amines in the presence of TiO2 nanoparticles by multi-shot analytical pyrolysis

B Komárková, M Mattonai, I Degano… - Journal of Analytical and …, 2021 - Elsevier
Analytical pyrolysis is a powerful tool to study the thermal behaviour of organic compounds,
but relatively little information is available on the pyrolysis of amines, especially when bound …

Investigation of the laminar premixed n-propylamine flame

W Li, J Chen, J Yang, Z Tian - Journal of Thermal Science, 2022 - Springer
The laminar premixed n-propylamine (NPA) flame with equivalence ratio of 1.70 has been
investigated at 4666.28 Pa using tunable synchrotron photoionization and molecular-beam …

A theoretical investigation on the degradation reactions of CH3CH2CH2NH and (CH3CH2CH2) 2N radicals in the presence of NO, NO2 and O2

H Zhao, C Lu, Y Tang, Y Zhang, J Sun - Chemosphere, 2022 - Elsevier
The degradation reactions of propylamino and dipropylamino radicals in the presence of
NO, NO 2 and O 2 were investigated at the CCSD (T)/6–311++ G (2d, 2p)//B3LYP/6–311++ …

The gas-phase pyrolysis of cyclopropylamine. A computational study on the kinetics and reaction mechanism

Y Monascal, MP Badenes, CJ Cobos - Combustion and Flame, 2023 - Elsevier
Small amines represent an accessible model to understand the reactivity of the nitrogenous
components of biomass during combustion and pyrolysis processes. In this work, the …