Related references
Note: Only part of the references are listed.Structural order evaluation and structural evolution of coal derived natural graphite during graphitization
Shuai Zhang et al.
CARBON (2020)
Atomistic Scale Analysis of the Carbonization Process for C/H/O/N-Based Polymers with the ReaxFF Reactive Force Field
Malgorzata Kowalik et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2019)
Reductive Gaseous (H2/NH3) Desulfurization and Gasification of High-Sulfur Petroleum Coke via Reactive Force Field Molecular Dynamics Simulations
Qifan Zhong et al.
ENERGY & FUELS (2019)
Raman spectroscopy as a tool to determine the thermal maturity of organic matter: Application to sedimentary, metamorphic and structural geology
Delano G. Henry et al.
EARTH-SCIENCE REVIEWS (2019)
Fe-Ni-P-S Melt Pockets in Elga IIE Iron Meteorite: Evidence for the Origin at High-Pressures Up to 20 GPa
Konstantin D. Litasov et al.
MINERALS (2019)
Micro-Raman Spectroscopy of Microscopically Distinguishable Components of Naturally Graphitized Coals from Central Hunan Province, China
Kuo Li et al.
ENERGY & FUELS (2019)
Carbon structure and the resulting graphitizability upon oxygen evolution
Joseph P. Abrahamson et al.
CARBON (2018)
Geochemical and petrographic analysis of graphitized coals from Central Hunan, China
Kuo Li et al.
INTERNATIONAL JOURNAL OF COAL GEOLOGY (2018)
Revealing the Initial Chemistry of Soot Nanoparticle Formation by ReaxFF Molecular Dynamics Simulations
Song Han et al.
ENERGY & FUELS (2017)
Fast and accurate shale maturity determination by Raman spectroscopy measurement with minimal sample preparation
Bastian Sauerer et al.
INTERNATIONAL JOURNAL OF COAL GEOLOGY (2017)
Extension of the ReaxFF Combustion Force Field toward Syngas Combustion and Initial Oxidation Kinetics
Chowdhury Ashraf et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2017)
A Raman - HRTEM study of the carbonization of wood: A new Raman-based paleothermometer dedicated to archaeometry
Damien Deldicque et al.
CARBON (2016)
Structure of some western Anatolia coals investigated by FTIR, Raman, 13C solid state NMR spectroscopy and X-ray diffraction
Mustafa Baysal et al.
INTERNATIONAL JOURNAL OF COAL GEOLOGY (2016)
Raman microspectroscopy characterization of carbon blacks: Spectral analysis and structural information
Miroslawa Pawlyta et al.
CARBON (2015)
Imaging the C black formation by acetylene pyrolysis with molecular reactive force field simulations
Chaoyang Zhang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
From Organic Matter to Graphite: Graphitization
Peter R. Buseck et al.
ELEMENTS (2014)
Fine structure of Raman spectra in coals of different rank
E. V. Ulyanova et al.
INTERNATIONAL JOURNAL OF COAL GEOLOGY (2014)
Effects of rapid thermal alteration on coal: Geochemical and petrographic signatures in the Springfield (No. 5) Coal, Illinois Basin
Mohammad W. Rahman et al.
INTERNATIONAL JOURNAL OF COAL GEOLOGY (2014)
Sample maturation calculated using Raman spectroscopic parameters for solid organics: Methodology and geological applications
Liu DeHan et al.
CHINESE SCIENCE BULLETIN (2013)
Initial Chemical Reaction Simulation of Coal Pyrolysis via ReaxFF Molecular Dynamics
Mo Zheng et al.
ENERGY & FUELS (2013)
Towards a Higher Comparability of Geothermometric Data obtained by Raman Spectroscopy of Carbonaceous Material. Part I: Evaluation of Biasing Factors
Nils K. Lünsdorf et al.
GEOSTANDARDS AND GEOANALYTICAL RESEARCH (2013)
Microstructural investigations of natural and synthetic graphites and semi-graphites
Sandra Rodrigues et al.
INTERNATIONAL JOURNAL OF COAL GEOLOGY (2013)
Microstructural evolution of carbonaceous material during graphitization in the Gyoja-yama contact aureole: HRTEM, XRD and Raman spectroscopic study
Yoshihiro Nakamura et al.
JOURNAL OF MINERALOGICAL AND PETROLOGICAL SCIENCES (2013)
Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field
Fidel Castro-Marcano et al.
COMBUSTION AND FLAME (2012)
Characterization of chemical functional groups in macerals across different coal ranks via micro-FTIR spectroscopy
Yanyan Chen et al.
INTERNATIONAL JOURNAL OF COAL GEOLOGY (2012)
Carbonization in Polyacrylonitrile (PAN) Based Carbon Fibers Studied by ReaxFF Molecular Dynamics Simulations
Biswajit Saha et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
Comparative XRD, Raman, and TEM Study on Graphitization of PBO-Derived Carbon Fibers
M. Beatriz Vazquez-Santos et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Microstructural evolution of high temperature treated anthracites of different rank
Sandra Rodrigues et al.
INTERNATIONAL JOURNAL OF COAL GEOLOGY (2011)
Development and Application of a ReaxFF Reactive Force Field for Hydrogen Combustion
Satyam Agrawalla et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
XANES, Raman and XRD study of anthracene-based cokes and saccharose-based chars submitted to high-temperature pyrolysis
S. Bernard et al.
CARBON (2010)
Structural characterization of Nigerian coals by X-ray diffraction, Raman and FTIR spectroscopy
Oluwadayo O. Sonibare et al.
ENERGY (2010)
Micro-Raman spectroscopy of collotelinite, fusinite and macrinite
A. Guedes et al.
INTERNATIONAL JOURNAL OF COAL GEOLOGY (2010)
Raman spectroscopy of selected carbonaceous samples
Barbara Kwiecinska et al.
INTERNATIONAL JOURNAL OF COAL GEOLOGY (2010)
Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool
Alexander Stukowski
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2010)
Correlation between optical, chemical and micro-structural parameters of high-rank coals and graphite
M. Marques et al.
INTERNATIONAL JOURNAL OF COAL GEOLOGY (2009)
Initiation Mechanisms and Kinetics of Pyrolysis and Combustion of JP-10 Hydrocarbon Jet Fuel
Kimberly Chenoweth et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Thermal decomposition process in algaenan of Botryococcus braunii race L. Part 2: Molecular dynamics simulations using the ReaxFF reactive force field
Elodie Salmon et al.
ORGANIC GEOCHEMISTRY (2009)
ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation
Kimberly Chenoweth et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Optical parameters as a tool to study the microstructural evolution of carbonized anthracites during high-temperature treatment
Isabel Suarez-Ruiz et al.
ENERGY & FUELS (2007)
Further development of Raman Microprobe spectroscopy for characterization of char reactivity
Alon Zaida et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2007)
Studying disorder in graphite-based systems by Raman spectroscopy
M. A. Pimenta et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Maturation grade of coals as revealed by Raman spectroscopy: Progress and problems
E Quirico et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2005)
Raman micro spectroscopy of soot and related carbonaceous materials:: Spectral analysis and structural information
A Sadezky et al.
CARBON (2005)
Structural characterization of graphite materials prepared from anthracites of different characteristics:: A comparative analysis
D González et al.
ENERGY & FUELS (2004)
Graphite, semi-graphite, natural coke, and natural char classification - ICCP system
B Kwiecinska et al.
INTERNATIONAL JOURNAL OF COAL GEOLOGY (2004)
Raman spectra of carbonaceous material in metasediments:: a new geothermometer
O Beyssac et al.
JOURNAL OF METAMORPHIC GEOLOGY (2002)
Structural ordering of Pennsylvania anthracites on heat treatment to 2000-2900°C
JV Atria et al.
ENERGY & FUELS (2002)
Graphitization in a high-pressure, low-temperature metamorphic gradient:: a Raman microspectroscopy and HRTEM study
O Beyssac et al.
CONTRIBUTIONS TO MINERALOGY AND PETROLOGY (2002)
ReaxFF: A reactive force field for hydrocarbons
ACT van Duin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Maturity trends in Raman spectra from kerogen and coal
SR Kelemen et al.
ENERGY & FUELS (2001)
Interpretation of Raman spectra of disordered and amorphous carbon
AC Ferrari et al.
PHYSICAL REVIEW B (2000)