Application of experiments and density function theory on the formation mechanism of NH3 during O2/Ar and O2/H2O combustion process of demineralized coals

An experimental and theoretical study of NO heterogeneous reduction in the reduction zone of ammonia co-firing in a coal-fired boiler: Influence of CO

(2022) Ping Chen et al.   FUEL PROCESSING TECHNOLOGY

A review on nitrogen transformation and conversion during coal pyrolysis and combustion based on quantum chemical calculation and experimental study

(2021) Tingting Jiao et al.   CHINESE JOURNAL OF CHEMICAL ENGINEERING

Experimental investigation on the evolution characteristics of anthracite-N and semi-coke reactivity under various O2/H2O pre-oxidation atmospheres

(2021) Zhuozhi Wang et al.   FUEL PROCESSING TECHNOLOGY

Structural Characterization and NO Generation Characteristics of Coal Char under O2/CO2 Atmosphere

(2021) Dawei Yan et al.   Journal of Thermal Science

DFT study of the effect of Ca on NO heterogeneous reduction by char

(2020) Xiuxia Zhang et al.   FUEL

Density functional theory study of the heterogenous interaction between char-bound nitrogen and CO2 during oxy-fuel coal combustion

(2020) Shanhui Zhao et al.   COMBUSTION AND FLAME

Density Functional Theory Study on the Effect of Sodium on the Adsorption of NO on a Char Surface

(2020) Jiancheng Yang et al.   ENERGY & FUELS

Evolution characteristics of structural nitrogen and the microstructure of anthracite particles in the process of O2/Ar and O2/H2O pre-oxidation

(2020) Zhuozhi Wang et al.   FUEL

Effect of H2O on the volatilization characteristics of arsenic during isothermal O2/CO2 combustion

(2019) Chan Zou et al.   International Journal of Greenhouse Gas Control

NO emissions under pulverized char combustion in O2/CO2/H2O preheated by a circulating fluidized bed

(2019) Shujun Zhu et al.   FUEL

Theoretical study on the reduction reactions from solid char(N): The effect of the nearby group and the high-spin state

(2019) Hai Zhang et al.   ENERGY

Density functional and experimental study of NO/O2 on zigzag char

(2019) Jun Shen et al.   Journal of Environmental Sciences-China

Density Functional Theory Study of the Role of an Carbon–Oxygen Single Bond Group in the NO–Char Reaction

(2018) Tong Zhao et al.   ENERGY & FUELS

Experiments and modelling of NO x precursors release (NH 3 and HCN) in fixed-bed biomass combustion conditions

(2018) Andrés Anca-Couce et al.   FUEL

DFT study on the alternative NH 3 formation path and its functional group effect

(2018) Hai Zhang et al.   FUEL

Theoretical Investigation of the Formation Mechanism of NH3 and HCN during Pyrrole Pyrolysis: The Effect of H2O

(2018) Ji Liu et al.   MOLECULES

Influence of H2O phase state on system efficiency in O2/H2O combustion power plant

(2018) Yanlei Xiang et al.   International Journal of Greenhouse Gas Control

Emission control of NO x precursors during sewage sludge pyrolysis using an integrated pretreatment of Fenton peroxidation and CaO conditioning

(2017) Huan Liu et al.   FUEL

An operational approach for the designing of an energy integrated oxy-fuel CFB power plant

(2017) Sergio Espatolero et al.   International Journal of Greenhouse Gas Control

Computed electronic structure of polynuclear aromatic hydrocarbon agglomerates

(2017) Erin M. Adkins et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

An overview of coal rank influence on ignition and combustion phenomena at the particle level

(2016) Reza Khatami et al.   COMBUSTION AND FLAME

Numerical simulation and parametric sensitivity study of optical band gap in a laminar co-flow ethylene diffusion flame

(2016) Edward K.Y. Yapp et al.   COMBUSTION AND FLAME

Density functional theory study on two different oxygen enhancement mechanisms during NO–char interaction

(2016) Hai Zhang et al.   COMBUSTION AND FLAME

Reactivity and Structural Changes of Coal during Its Combustion in a Low-Oxygen Environment

(2016) Pedro N. Alvarado et al.   ENERGY & FUELS

Effects of CO 2 on the fuel nitrogen conversion during coal rapid pyrolysis

(2016) Mingxin Xu et al.   FUEL

Rate-Determining Step or Rate-Determining Configuration? The Deacon Reaction over RuO2(110) Studied by DFT-Based KMC Simulations

(2016) Franziska Hess et al.   ACS Catalysis

Mechanistic insight into the selective catalytic reduction of NO by NH3 over low-valent titanium-porphyrin: a DFT study

(2016) Phornphimon Maitarad et al.   Catalysis Science & Technology

Thermodynamic and kinetic evaluation of the reaction between NO (nitric oxide) and char(N) (char bound nitrogen) in coal combustion

(2015) Hai Zhang et al.   ENERGY

Comprehensive investigation of process characteristics for oxy-steam combustion power plants

(2015) Bo Jin et al.   ENERGY CONVERSION AND MANAGEMENT

Multivariate Calibration and Model Integrity for Wood Chemistry Using Fourier Transform Infrared Spectroscopy

(2015) Chengfeng Zhou et al.   Journal of Analytical Methods in Chemistry

Effect of H 2 O on the combustion characteristics of pulverized coal in O 2 /CO 2 atmosphere

(2014) Baojun Yi et al.   APPLIED ENERGY

The effect of functional forms of nitrogen on fuel-NO x emissions

(2014) Linghui Zhang et al.   ENVIRONMENTAL MONITORING AND ASSESSMENT

Simulation and comparative exergy analyses of oxy-steam combustion and O2/CO2 recycled combustion pulverized-coal-fired power plants

(2014) Lei Sheng et al.   International Journal of Greenhouse Gas Control

Intrinsic kinetics in carbon gasification: Understanding linearity, “nanoworms” and alloy catalysts

(2013) Luis Sousa Lobo   APPLIED CATALYSIS B-ENVIRONMENTAL

Release of Nitrogen Species during Rapid Pyrolysis of Model Coals

(2012) Lei Deng et al.   ENERGY & FUELS

NOx precursors evolution during coal heating process in CO2 atmosphere

(2011) Lunbo Duan et al.   FUEL

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

How to Conceptualize Catalytic Cycles? The Energetic Span Model

(2010) Sebastian Kozuch et al.   ACCOUNTS OF CHEMICAL RESEARCH

NOx and N2O precursors (NH3 and HCN) from biomass pyrolysis: Co-pyrolysis of amino acids and cellulose, hemicellulose and lignin

(2010) Qiangqiang Ren et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

Distribution of HCN, NH3, NO and N2 in an entrained flow gasifier

(2008) Zhong Chen et al.   CHEMICAL ENGINEERING JOURNAL

Formation of N-containing gas-phase species from char gasification in steam

(2007) Dong-Chan Park et al.   FUEL