Simulation of SIMS for monomer and dimer of lignin under the assumption of thermal decomposition using QMD method

Applied Surface Science

Volumn 255, Issue 4, 2008, Pages 1040-1043

  Kato, Kenichi ^a   Endo, Kazunaka ^a   Matsumoto, Daisuke ^a   Ida, Tomonori ^a   Saito, Kaori ^b   Fukushima, Kazuhiko ^b   Kato, Nobuhiko ^c  

^a KANAZAWA UNIVERSITY   (Japan)

^b NAGOYA UNIVERSITY   (Japan)

^c SEIKEI UNIVERSITY   (Japan)

Author keywords

Lignin; Molecular dynamics simulation; SIMS; Thermal decomposition

Indexed keywords

CALCULATIONS; DECOMPOSITION; LIGNIN; MOLECULAR DYNAMICS; MONOMERS; PYROLYSIS; SECONDARY ION MASS SPECTROMETRY; THERMOLYSIS;

FRAGMENT DISTRIBUTIONS; LIGNIN MONOMER; MOLECULAR DYNAMICS SIMULATIONS; NEGATIVE CHARGE; NEGATIVELY CHARGED; QUANTUM MOLECULAR DYNAMICS; SAMPLING POSITIONS; SCF-MO CALCULATION;

DIMERS;

DYNAMICS; GRAVIMETRY; LIGNINS; MASS SPECTROMETERS; MONOMERS; PYROLYSIS; QUANTUM CHEMISTRY; THERMAL ANALYSIS;

EID: 56449127694     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2008.05.074     Document Type: Article

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