#!/usr/bin/env python
# encoding: utf-8

name = "Aromatics_high_pressure/C10H10-1"
shortDesc = u"CPDyl_recombination"
longDesc = u"""
Pressure dependent kinetic analysis of pathways to naphthalene from cyclopentadienyl recombination
Alan E. Long et al.
Combustion and Flame 187 (2018) 247–256

Calculated at the CBS-QB3 level of theory
"""
duplicatesChecked=True
entry(
    index = 0,
    label = "T4e <=> T4g",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(3.984e+08, 's^-1'), n=1.349, Ea=(27.096, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 1,
    label = "T4e <=> T4h",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(6.574e+08, 's^-1'), n=1.27, Ea=(27.844, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 2,
    label = "T1b <=> T2",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(107.6, 's^-1'), n=3.156, Ea=(45.874, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 3,
    label = "T2 <=> T3",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(3.892e+11, 's^-1'), n=0.886, Ea=(40.811, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 4,
    label = "T3 <=> T4a",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(8.785e+10, 's^-1'), n=0.41, Ea=(34.448, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 5,
    label = "T4a <=> T4b",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(5.385e+08, 's^-1'), n=1.287, Ea=(22.475, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 6,
    label = "T4b <=> T4c",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(2087, 's^-1'), n=2.723, Ea=(29.957, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 7,
    label = "T4a <=> T4d",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(0.0001681, 's^-1'), n=4.741, Ea=(31.183, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 8,
    label = "T4d <=> T4e",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(1690, 's^-1'), n=2.764, Ea=(27.727, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 9,
    label = "T4b <=> T4f",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(2.044e+08, 's^-1'), n=1.402, Ea=(25.683, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 10,
    label = "T1a <=> T1b",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(8.342e+09, 's^-1'), n=1.137, Ea=(22.629, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 11,
    label = "T1b <=> T1c",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(1.328e+09, 's^-1'), n=1.146, Ea=(19.486, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 12,
    label = "T1b <=> T1f",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(3.363e+08, 's^-1'), n=1.338, Ea=(24.683, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 13,
    label = "T1c <=> T1d",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(2.73e+09, 's^-1'), n=1.091, Ea=(25.705, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 14,
    label = "T1d <=> T1e",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(7.525e+09, 's^-1'), n=1.042, Ea=(25.551, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

entry(
    index = 15,
    label = "T1d <=> T1f",
    degeneracy = 1.0,
    kinetics = Arrhenius(A=(3.079e+10, 's^-1'), n=0.964, Ea=(27.017, 'kcal/mol'), T0=(1, 'K')),
    longDesc = 
u"""
Originally from reaction library: Unclassified
""",
)

