Ur's Manual for the
CPD Model
Thomas H. Fletcher
Chemical Engineering Department
350 CB
Brigham Young University
表格识别
Provo, Utah (USA) 84602
The Advanced
Combustion
Engineering
Rearch
Center
Introduction
The original CPD model was incorporated into two parate computer programs:
股东分红怎么分•cpd.f reads in particle temperatures vs. particle residence times
•cpdcp.f reads in gas temperatures and particle velocities, and then calculates particle temperatures bad on the particle energy equation.
小王子感悟As a result of work by Genetti and Fletcher (1999), a new version of the CPD model was developed that includes a nitrogen relea model and a submodel to determine the species in the light gas fraction. The modified CPD model was incorporated into the same two proframs, but
s. Therefore,
三周年祭日敬辞
•cpdnlg.f reads in particle temperatures vs. particle residence times
血防
•cpdcpnlg.f reads in gas temperatures and particle velocities, and then calculates particle temperatures bad on the particle energy equation.
All of the codes are written in FORTRAN-77, and have been shown to work on VAX/VMS machines, CONVEX machines, and on HP-750 workstations. Source codes, sample inputs, and sample outputs are provided. Terminology is directly related to that ud in the Summary Report of the CPD Model (Sandia Report) and in Genetti's M.S. Thesis (BYU, 1999). Inputs are similar, but will be repeated in this ur's manual for all four codes (cpd.f, cpdcp.f, cpdnlg.f, cpdcpnlg.f).
cpd.f
•input parameters p o, c o, σ+1, M clust (mw in input file), and mδ (mdel in input file) specify the che
mical structure of the coal, and are taken directly from NMR data.
•kinetic parameters:
A b, E b, σb Labile bridge dissocation rate (ab,eb,ebsig in the code)
ρcomposite rate constant (ac in the code; ec should be 0)
A g, E g, σg Gas relea rate (ag, eg, egsig in the code)
A cr, E cr Crosslinking rate (Acr, Ecr in code)
•time and temperatures are read from this file, with time in milliconds and the particle temperature in Kelvin. Any time-temperature profile can be specified in this manner.•time step parameters
dt, iprint, maxdt Initial time step (s), print index (print every i th time step), maximum time step (s) [a lf-adjusting time step is ud to bridge over areas of slow
reaction]
timax Maximum time to be considered (s)
nmax Maximum number of mers to be considered for tar molecular weight (usually 20)
Output from the cpd.f program consists of two files: cpd.out and cpdb.out.技术合同
Variables printed in cpd.out include time (ms), T p (K), fraction of original coal that was once metaplast and then crosslinked into the char matrix (fcross), labile bridge population (£), tar fraction (ftar; fraction of original daf coal), gas fraction (fgas), fraction of solid left (fsolid; includes char plus metaplast), total volatiles yield (ftot), and the fraction existing as metaplast (fmet).
Variables printed in cpdb.out are mainly bridge population parameters; time (ms), labile bridge population (l or £), char bridge population (c), side chain population (del/2 or δ/2; multiply by 2 to get the real number), g1 bridge population, g2 bridge population, total g population, and total
bridge population (p = £ + c). Note that the parameters are not printed out on a mass basis, but on a bridge population basis.
背背乐英语cpdnlg.f
• input parameters
p o , c o , σ+1, M clust (mw in input file), and m δ (mdel in input file) specify the chemical structure of the coal, and are taken directly from NMR data.fnit
Daf mass fraction of nitrogen in the parent coal fst
Fraction of stable nitrogen species (=max{0.5, [0.018*%C-1.062]})fhyd,fcar,foxy
Daf mass fractions of hydrogen, carbon, and oxygen in the parent coal • kinetic parameters:
A b , E b , σb
Labile bridge dissocation rate (ab,eb,ebsig in the code)ρ
composite rate constant (ac in the code; ec should be 0)A g , E g , σg
Gas relea rate (ag, eg, egsig in the code)A cr , E cr
Crosslinking rate (Acr, Ecr in code)A N , E N , and σN
Nitrogen relea rate coefficients (nitrogen in char leaves as HCN)•
total pressure is read in atmospheres •
time and temperatures are read from this file, with time in milliconds and the particle temperature in Kelvin. Any time-temperature profile can be specified in this manner.•time step parameters
dt, iprint, maxdt Initial time step (s), print index (print every i th time step), maximum time
step (s) [a lf-adjusting time step is ud to bridge over areas of slow
reaction]
timax Maximum time to be considered (s)
nmax Maximum number of mers to be considered for tar molecular weight
(usually 20)
Output from the cpd.f program consists of four files which can be named by the ur. The will be referred to as output1, output2, output3, and output4.
output1
孔子生平事迹Variables printed in output1 include time (ms), T p (K), fraction of original coal that was once metapl
ast and then crosslinked into the char matrix (fcross), labile bridge population (£), tar
