Pyrolysis mechanisms of coal extracts based on TG-FTIR and ReaxFF MD study

Gas generation mechanisms of bituminous coal under shear stress based on ReaxFF molecular dynamics simulation

(2021) Jin Wang et al.   FUEL

Construction of a coal char model and its combustion and gasification characteristics: Molecular dynamic simulations based on ReaxFF

(2021) Dikun Hong et al.   FUEL

Thermal decomposition mechanism study of 3-nitro-1,2,4-triazol-5-one (NTO): Combined TG-FTIR-MS techniques and ReaxFF reactive molecular dynamics simulations

(2021) Guanchao Lan et al.   FUEL

Effects of water on pyridine pyrolysis: A reactive force field molecular dynamics study

(2021) Zhongze Bai et al.   ENERGY

A comprehensive understanding of the synergistic effect during co-pyrolysis of polyvinyl chloride (PVC) and coal

(2021) Dikun Hong et al.   ENERGY

Effect of inner and outer secondary air ratios on ignition, C and N conversion process of pulverized coal in swirl burner under sub-stoichiometric ratio

(2021) Zhichao Chen et al.   ENERGY

Investigation of recycled phenol effects on supercritical water gasification of coal using ReaxFF MD simulation

(2021) Huifang Feng et al.   FUEL

The effect of biomass addition on pyrolysis characteristics and gas emission of coal gangue by multi-component reaction model and TG-FTIR-MS

(2021) Haobo Bi et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Recirculating structures and combustion characteristics in a reverse-jet swirl pulverized coal burner

(2020) Minhang Song et al.   FUEL

Insight into the calcium carboxylate release behavior during Zhundong coal pyrolysis and combustion

(2020) Dikun Hong et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

Solvent Extraction of Superfine Pulverized Coal. Part 1. Composition of the Extract

(2020) Jiaxun Liu et al.   ENERGY & FUELS

Effects of flue gases (CO/CO2/SO2/H2O/O2) on NO-Char interaction at high temperatures

(2019) Yijun Zhao et al.   ENERGY

Study on the product distribution and thermal behavior of coal, extract and extracted residue over FeCl3

(2019) Jianwei Liu et al.   FUEL

Theoretical understanding of coal char oxidation and gasification using reactive molecular dynamics simulation

(2019) Chao Chen et al.   FUEL

ReaxFF-based molecular dynamics simulation of the initial pyrolysis mechanism of lignite

(2019) Fang Xu et al.   FUEL PROCESSING TECHNOLOGY

Investigation of N behavior during coal pyrolysis and oxidation using ReaxFF molecular dynamics

(2018) Mo Zheng et al.   FUEL

In-situ analysis of catalytic pyrolysis of Baiyinhua coal with pyrolysis time-of-flight mass spectrometry

(2018) Zhiwei Shi et al.   FUEL

Study on the structural evolution of semi-chars and their solvent extracted materials during pyrolysis process of a Chinese low-rank coal

(2018) Liangping Zhang et al.   FUEL

Evolution of NO X precursors of superfine pulverized coal with a fixed bed in N 2 and CO 2

(2018) Lei Luo et al.   FUEL

Pyrolysis behaviors and product distribution of Shenmu coal at high heating rate: A study using TG-FTIR and Py-GC/MS

(2018) Yuan Jiang et al.   ENERGY CONVERSION AND MANAGEMENT

Pyrolysis behavior and kinetics of the trapped small molecular phase in a lignite

(2017) Bin Tian et al.   ENERGY CONVERSION AND MANAGEMENT

Molecular composition of soluble organic species in Baiyinhua lignite and their evolution profiles during pyrolysis

(2017) Yun-Peng Zhao et al.   FUEL

Molecular structure characterization of the tetrahydrofuran-microwave-extracted portions from three Chinese low-rank coals

(2017) Liangping Zhang et al.   FUEL

Molecular dynamics simulations of Zhundong coal pyrolysis using reactive force field

(2017) Dikun Hong et al.   FUEL

Mechanistic influences of different solvents on microwave-assisted extraction of Shenfu low-rank coal

(2017) Liangping Zhang et al.   FUEL PROCESSING TECHNOLOGY

Structural features and thermal degradation behaviors of extracts obtained by heat reflux extraction of low rank coals with cyclohexanone

(2017) Bin Tian et al.   JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Pyrolysis of Huolinhe lignite extract by in-situ pyrolysis-time of flight mass spectrometry

(2015) Liang Zou et al.   FUEL PROCESSING TECHNOLOGY

Pyrolysis behavior of Indonesia oil sand by TG-FTIR and in a fixed bed reactor

(2015) Chunxia Jia et al.   JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Direct mechanochemical cleavage of functional groups from graphene

(2015) Jonathan R. Felts et al.   Nature Communications

Pyrolysis of superfine pulverized coal. Part 2. Mechanisms of carbon monoxide formation

(2014) Jiaxun Liu et al.   ENERGY CONVERSION AND MANAGEMENT

Comparison of thermal and catalytic cracking of 1-heptene from ReaxFF reactive molecular dynamics simulations

(2013) Fidel Castro-Marcano et al.   COMBUSTION AND FLAME

A molecular model for Illinois No. 6 Argonne Premium coal: Moving toward capturing the continuum structure

(2012) Fidel Castro-Marcano et al.   FUEL

Study on combustion mechanism of asphalt binder by using TG–FTIR technique

(2010) Tao Xu et al.   FUEL

Selective C-4 Alkylation of Pyridine by Nickel/Lewis Acid Catalysis

(2010) Yoshiaki Nakao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Force-induced activation of covalent bonds in mechanoresponsive polymeric materials

(2009) Douglas A. Davis et al.   NATURE

Effect of pre-swelling of coal on its solvent extraction and liquefaction properties

(2008) H SHUI et al.   FUEL

A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations

(2007) Ken-ichi Nomura et al.   COMPUTER PHYSICS COMMUNICATIONS