Experimental and theoretical calculations study on heterogeneous reduction of NO by char/NH3 in the reduction zone of ammonia co-firing with pulverized coal: Influence of mineral Fe

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

Numerical calculation with detailed chemistry on ammonia co-firing in a coal-fired boiler: Effect of ammonia co-firing ratio on NO emissions

(2020) Sakiko Ishihara et al.   FUEL

Updated effect of carbon monoxide on the interaction between NO and char bound nitrogen: A combined thermodynamic and kinetic study

(2020) Hai Zhang et al.   COMBUSTION AND FLAME

The Effect Mechanism of Fe on Coal Pyrolysis to NOx Precursors: Quantum Chemical Calculations and Mass Spectrometry Experiments

(2020) Ping Chen et al.   ACS Omega

Experimental and density functional theory study of the influence mechanism of oxygen on NO heterogeneous reduction in deep air-staged combustion

(2020) Ping Chen et al.   COMBUSTION AND FLAME

Effects of O2/CO/CO2 on NH3 reducing NO at 1073–1773 K in different flow reactors-Part Ⅰ: The effect of O2

(2020) Jun Chen et al.   FUEL

Experimental study on the impact of adding NH3 on NO production in coal combustion and the effects of char, coal ash, and additives on NH3 reducing NO under high temperature

(2019) Weidong Fan et al.   ENERGY

Directly catalytic reduction of NO without NH3 by single atom iron catalyst: A DFT calculation

(2019) Weijie Yang et al.   FUEL

Analysis and optimization for energy, cost and carbon emission of a solar driven steam-autothermal hybrid methane reforming for hydrogen, ammonia and power production

(2019) H. Ishaq et al.   JOURNAL OF CLEANER PRODUCTION

The effect of metal calcium on nitrogen migration and transformation during coal pyrolysis: Mass spectrometry experiments and quantum chemical calculations

(2019) Ping Chen et al.   FUEL

Ammonia for power

(2018) A Valera-Medina et al.   PROGRESS IN ENERGY AND COMBUSTION SCIENCE

Study of the reaction mechanism of oxygen to heterogeneous reduction of NO by char

(2018) Ping Chen et al.   FUEL

Selective non-catalytic reduction – Fe-based additive hybrid technology

(2017) Syed Sheraz Daood et al.   FUEL

Why Low Valent Lead(II) Hydride Complex Would be a Better Catalyst for CO2 Activation than Its 14 Group Analogues?

(2017) Nery Villegas-Escobar et al.   Journal of Physical Chemistry C

Mechanism of conditioner CaO on NO x precursors evolution during sludge steam gasification

(2017) Qiang Zhang et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

Mechanism study on the adsorption and reactions of NH 3 , NO, and O 2 on the CaO surface in the SNCR deNO x process

(2016) Shi-long Fu et al.   CHEMICAL ENGINEERING JOURNAL

Comparative life cycle assessment of various ammonia production methods

(2016) Yusuf Bicer et al.   JOURNAL OF CLEANER PRODUCTION

A DFT study on NHC-catalyzed intramolecular aldehyde–ketone crossed-benzoin reaction: mechanism, regioselectivity, stereoselectivity, and role of NHC

(2016) Wei Zhang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Temperature Dependence of the Reconstruction of Zigzag Edges in Graphene

(2015) Kuang He et al.   ACS Nano

Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm

(2012) Tian Lu et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Multiwfn: A multifunctional wavefunction analyzer

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

Applications and validations of the Minnesota density functionals

(2010) Yan Zhao et al.   CHEMICAL PHYSICS LETTERS

Design and Test of a Selective Noncatalytic Reduction (SNCR) System for Full-Scale Refinery CO Boilers To Achieve High NOxRemoval

(2010) Wei Zhou et al.   ENERGY & FUELS

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ammonia as a green fuel and hydrogen source for vehicular applications

(2009) C. Zamfirescu et al.   FUEL PROCESSING TECHNOLOGY

Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions

(2008) Yan Zhao et al.   Journal of Chemical Theory and Computation

Current status of combined systems using alkaline fuel cells and ammonia as a hydrogen carrier

(2007) T. Hejze et al.   JOURNAL OF POWER SOURCES