4.7 Article

Structural Evolution of High-Rank Coals during Coalification and Graphitization: X-ray Diffraction, Raman Spectroscopy, High-Resolution Transmission Electron Microscopy, and Reactive Force Field Molecular Dynamics Simulation Study

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

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)

Article Chemistry, Physical

Carbon structure and the resulting graphitizability upon oxygen evolution

Joseph P. Abrahamson et al.

CARBON (2018)

Article Energy & Fuels

Geochemical and petrographic analysis of graphitized coals from Central Hunan, China

Kuo Li et al.

INTERNATIONAL JOURNAL OF COAL GEOLOGY (2018)

Article Energy & Fuels

Fast and accurate shale maturity determination by Raman spectroscopy measurement with minimal sample preparation

Bastian Sauerer et al.

INTERNATIONAL JOURNAL OF COAL GEOLOGY (2017)

Article Chemistry, Physical

Extension of the ReaxFF Combustion Force Field toward Syngas Combustion and Initial Oxidation Kinetics

Chowdhury Ashraf et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2017)

Article Chemistry, Physical

Imaging the C black formation by acetylene pyrolysis with molecular reactive force field simulations

Chaoyang Zhang et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Article Geochemistry & Geophysics

From Organic Matter to Graphite: Graphitization

Peter R. Buseck et al.

ELEMENTS (2014)

Article Energy & Fuels

Fine structure of Raman spectra in coals of different rank

E. V. Ulyanova et al.

INTERNATIONAL JOURNAL OF COAL GEOLOGY (2014)

Article Energy & Fuels

Microstructural investigations of natural and synthetic graphites and semi-graphites

Sandra Rodrigues et al.

INTERNATIONAL JOURNAL OF COAL GEOLOGY (2013)

Article Chemistry, Physical

Carbonization in Polyacrylonitrile (PAN) Based Carbon Fibers Studied by ReaxFF Molecular Dynamics Simulations

Biswajit Saha et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2012)

Article Chemistry, Physical

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)

Article Energy & Fuels

Microstructural evolution of high temperature treated anthracites of different rank

Sandra Rodrigues et al.

INTERNATIONAL JOURNAL OF COAL GEOLOGY (2011)

Article Chemistry, Physical

Development and Application of a ReaxFF Reactive Force Field for Hydrogen Combustion

Satyam Agrawalla et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2011)

Article Energy & Fuels

Micro-Raman spectroscopy of collotelinite, fusinite and macrinite

A. Guedes et al.

INTERNATIONAL JOURNAL OF COAL GEOLOGY (2010)

Article Energy & Fuels

Raman spectroscopy of selected carbonaceous samples

Barbara Kwiecinska et al.

INTERNATIONAL JOURNAL OF COAL GEOLOGY (2010)

Article Materials Science, Multidisciplinary

Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool

Alexander Stukowski

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2010)

Article Energy & Fuels

Correlation between optical, chemical and micro-structural parameters of high-rank coals and graphite

M. Marques et al.

INTERNATIONAL JOURNAL OF COAL GEOLOGY (2009)

Article Chemistry, Physical

Initiation Mechanisms and Kinetics of Pyrolysis and Combustion of JP-10 Hydrocarbon Jet Fuel

Kimberly Chenoweth et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2009)

Article Chemistry, Physical

ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation

Kimberly Chenoweth et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

Article Thermodynamics

Further development of Raman Microprobe spectroscopy for characterization of char reactivity

Alon Zaida et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2007)

Article Chemistry, Physical

Studying disorder in graphite-based systems by Raman spectroscopy

M. A. Pimenta et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)

Article Spectroscopy

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)

Article Energy & Fuels

Graphite, semi-graphite, natural coke, and natural char classification - ICCP system

B Kwiecinska et al.

INTERNATIONAL JOURNAL OF COAL GEOLOGY (2004)

Article Geology

Raman spectra of carbonaceous material in metasediments:: a new geothermometer

O Beyssac et al.

JOURNAL OF METAMORPHIC GEOLOGY (2002)

Article Geochemistry & Geophysics

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)

Article Chemistry, Physical

ReaxFF: A reactive force field for hydrocarbons

ACT van Duin et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2001)

Article Energy & Fuels

Maturity trends in Raman spectra from kerogen and coal

SR Kelemen et al.

ENERGY & FUELS (2001)

Article Materials Science, Multidisciplinary

Interpretation of Raman spectra of disordered and amorphous carbon

AC Ferrari et al.

PHYSICAL REVIEW B (2000)