2024
DOI: 10.1007/s40242-024-3279-2
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Robust Carbon-Carbon Cleavage in Lignin to Produce Phenol and Cyclohexanone

Lulin Wang,
Xiaomeng Cheng,
Minghua Dong
et al.
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“…The number density of seed atoms before ionization ( ) needs to be computed first before the electron number density ( ). This quantity ( ) can be calculated using the microscopic version of the ideal gas law as described in Equation (22) [ 127 , 128 ] In the present study, the initial total absolute pressure (before ionization but after seeding) in the simulations (unless otherwise specified) is 1 atm or 101325 Pa [ [129] , [130] , [131] ], and the mole reaction of the seed alkali metal is 0.01 or 1 % (also before ionization but after seeding). Thus, the seeding pressure ( ) is 1013.25 Pa by default.…”
Section: Methodsmentioning
confidence: 99%
See 1 more Smart Citation
“…The number density of seed atoms before ionization ( ) needs to be computed first before the electron number density ( ). This quantity ( ) can be calculated using the microscopic version of the ideal gas law as described in Equation (22) [ 127 , 128 ] In the present study, the initial total absolute pressure (before ionization but after seeding) in the simulations (unless otherwise specified) is 1 atm or 101325 Pa [ [129] , [130] , [131] ], and the mole reaction of the seed alkali metal is 0.01 or 1 % (also before ionization but after seeding). Thus, the seeding pressure ( ) is 1013.25 Pa by default.…”
Section: Methodsmentioning
confidence: 99%
“…In the present study, the initial total absolute pressure (before ionization but after seeding) in the simulations (unless otherwise specified) is 1 atm or 101325 Pa [129][130][131], and the mole reaction of the seed alkali metal is 0.01 or 1 % (also before ionization but after seeding). Thus, the seeding pressure (p ʹ s ) is 1013.25 Pa by default.…”
Section: Calculating the Number Density Of Electronsmentioning
confidence: 95%