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Merged
oscartheran merged 18 commits into from
Feb 7, 2025
Merged

Dev_d #7

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f2a35cd
12/08/2024 update
oscartheran Aug 12, 2024
afa98e7
changes until 16/08/2024
oscartheran Aug 16, 2024
7ee745f
en desarrollo constantes criticas 22/08/2024
oscartheran Aug 22, 2024
cdfb48f
version 02/09/2024
oscartheran Sep 2, 2024
93381b6
changes 04/09/2024
oscartheran Sep 4, 2024
da9702a
05/09/2024
oscartheran Sep 5, 2024
05cbd2a
start a new refactoring 04/11/2024
oscartheran Nov 4, 2024
180da8e
07 enero 2025
Jan 8, 2025
aba100f
commit
Jan 8, 2025
2ff312d
.
Jan 8, 2025
c4f8795
.
Jan 8, 2025
d35e6e9
.
Jan 8, 2025
4d83f87
08 de enero 2025, version actualizada de namelist
Jan 8, 2025
22ee367
eliminar archivo de YPF2 redundante
Jan 8, 2025
89b6037
inputs loads
Feb 7, 2025
7dbd737
2025
oscartheran Feb 7, 2025
ef5a9c2
Merge branch 'dev_d' of https://github.com/ipqa-research/forcha into …
oscartheran Feb 7, 2025
c965e0f
Merge remote-tracking branch 'origin/main' into dev_d
oscartheran Feb 7, 2025
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12 changes: 11 additions & 1 deletion .gitignore
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Original file line number Diff line number Diff line change
Expand Up @@ -86,4 +86,14 @@ infiles/YPF10
YPF10
fig77
fpm.toml

src/tools/ftools__io.mod
YPF1.nml
fpm.toml
src/molecular_weigth/molecular_weigth.mod
.gitignore
src/bfr_routines/bfr_routines.mod
src/characterization/characterization.mod
src/critical_parameters/critical_parameters.mod
.gitignore
src/density/density.mod
src/lumping/lumping.mod
72 changes: 72 additions & 0 deletions PVT1.nml
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! Namelist based input file
! ==============================================================================
! - PVT1 from whitson dataset
! - Composition: molar
! - Molecular Weights: g/mol
! - Density: g/cm3
!
!
&nml_setup
def_comp_nc = 9
! number of defined components before scn
scn_nc = 24
! number of single carbon number components
scn_nc_ps = 30
! CN from which all SCN fractions will be lumped into the specified number of pseudos
numbers_ps = 5
! number of pseudos in which the scn fractions grouped
/
&nml_components
def_components = "N2" "CO2" "C1" "C2" "C3" "iC4" "nC4" "iC5" "nC5"
! names of defined components before scn
scn = 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29
! names of scn fractions
scn_plus= "C30+"
! name of plus fraction
/
&nml_composition
def_comp_z = 0.0088 0.0052 0.6037 0.1259 0.0728 0.0146 0.0308 0.0117 0.0143
! compositions of defined components
scn_z = 0.0189 0.0154 0.0192 0.0121 0.0088 0.0067 0.0054 0.0048 0.0037 0.0029 0.0022 0.0018 0.0016 0.0013 0.0010 0.0008 0.0007 0.0006 0.0005 0.0004 0.0004 0.0003 0.0003 0.0002
! compositions of single carbon numbers
plus_z = 0.0022
! composition of residual fraction CN 20 plus
plus6_z_exp = 0.1122
! composition of residual fraction CN 6 plus
plus7_z_exp = 0.0933
! composition of residual fraction CN 7 plus
plus12_z_exp = 0.0311
! composition of residual fraction CN 12 plus
plus30_z_exp = 0.0022
! composition of residual fraction CN 30 plus
/
&nml_molecular_weight
def_comp_mw = 28.01 44.01 16 30.1 44.1 58.1 58.1 72.2 72.2
! molecular weights of defined components
scn_mw = 86.2 96.4 108.7 123.9 138.3 146.9 160.3 174.8 190.7 207.8 223.7 241.6 247.9 261.1 267 290.8 299.7 298.8 320.4 337.4 350.7 364 377.3 390.6
! molecular weights of single carbon numbers
plus_mw = 561.11
! molecular weight of residual fraction CN 20 plus
plus6_mw_exp = 146.72
! molecular weight of residual fraction CN 6 plus
plus7_mw_exp = 157.58
! molecular weight of residual fraction CN 7 plus
plus12_mw_exp = 243.55
! molecular weight of residual fraction CN 12 plus
plus30_mw_exp = 561.11
! molecular weight of residual fraction CN 30 plus
/
&nml_density
scn_density = 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
! density of single carbon numbers
plus_density = 0.9816
! density of residual fraction CN 20 plus
plus6_density_exp = 0.7969
! density of residual fraction CN 6 plus
plus7_density_exp = 0.8113
! density of residual fraction CN 7 plus
plus12_density_exp = 0.8596
! density of residual fraction CN 12 plus
plus30_density_exp = 0.9816
! density of residual fraction CN 30 plus
/
73 changes: 73 additions & 0 deletions PVT2.nml
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! Namelist based input file
! ==============================================================================
! - PVT2 from whitson dataset
! - Composition: molar
! - Molecular Weights: g/mol
! - Density: g/cm3
!
!
&nml_setup
def_comp_nc = 9
! number of defined components before scn
scn_nc = 24
! number of single carbon number components
scn_nc_ps = 30
! CN from which all SCN fractions will be lumped into the specified number of pseudos
numbers_ps = 5
! number of pseudos in which the scn fractions grouped
/
&nml_components
def_components = "N2" "CO2" "C1" "C2" "C3" "iC4" "nC4" "iC5" "nC5"
! names of defined components before scn
scn = 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29
! names of scn fractions
scn_plus= "C30+"
! name of plus fraction
/
&nml_composition
def_comp_z = 0.0021 0.0035 0.6048 0.1317 0.0604 0.0125 0.0279 0.0120 0.0148
! compositions of defined components
scn_z = 0.0188 0.0186 0.0233 0.0149 0.0107 0.0076 0.0057 0.0054 0.0041 0.0030 0.0024 0.0020 0.0018 0.0016 0.0012 0.0011 0.0009 0.0008 0.0007 0.0006 0.0006 0.0005 0.0004 0.0004
! compositions of single carbon numbers
plus_z = 0.0032
! composition of residual fraction CN 20 plus
plus6_z_exp = 0.1303
! composition of residual fraction CN 6 plus
plus7_z_exp = 0.1114
! composition of residual fraction CN 7 plus
plus12_z_exp = 0.0364
! composition of residual fraction CN 12 plus
plus30_z_exp = 0.0032
! composition of residual fraction CN 30 plus
/
&nml_molecular_weight
def_comp_mw = 28.01 44.01 16 30.1 44.1 58.1 58.1 72.2 72.2
! molecular weights of defined components
scn_mw = 85.92 95.74 107.97 123.86 138.88 146.65 162.24 174.24 189.11 207.29 220.29 238.25 255.75 262.48 282.67 279 309.59 312.96 334.59 346.06 359.99 373.92 387.86 401.79
! molecular weights of single carbon numbers
plus_mw = 553.6
! molecular weight of residual fraction CN 20 plus
plus6_mw_exp = 150.4
! molecular weight of residual fraction CN 6 plus
plus7_mw_exp = 159.93
! molecular weight of residual fraction CN 7 plus
plus12_mw_exp = 253.63
! molecular weight of residual fraction CN 12 plus
plus30_mw_exp = 553.6
! molecular weight of residual fraction CN 30 plus
/
&nml_density
scn_density = 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
! density of single carbon numbers
plus_density = 0.9807
! density of residual fraction CN 20 plus
plus6_density_exp = 0.8022
! density of residual fraction CN 6 plus
plus7_density_exp = 0.8146
! density of residual fraction CN 7 plus
plus12_density_exp = 0.8654
! density of residual fraction CN 12 plus
plus30_density_exp = 0.9807
! density of residual fraction CN 30 plus
/

72 changes: 72 additions & 0 deletions PVT4.nml
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! Namelist based input file
! ==============================================================================
! - PVT4 from whitson dataset
! - Composition: molar
! - Molecular Weights: g/mol
! - Density: g/cm3
!
!
&nml_setup
def_comp_nc = 9
! number of defined components before scn
scn_nc = 24
! number of single carbon number components
scn_nc_ps = 30
! CN from which all SCN fractions will be lumped into the specified number of pseudos
numbers_ps = 5
! number of pseudos in which the scn fractions grouped
/
&nml_components
def_components = "N2" "CO2" "C1" "C2" "C3" "iC4" "nC4" "iC5" "nC5"
! names of defined components before scn
scn = 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29
! names of scn fractions
scn_plus= "C30+"
! name of plus fraction
/
&nml_composition
def_comp_z = 0.0054 0.0023 0.7261 0.1179 0.0532 0.0112 0.0176 0.011 0.0074
! compositions of defined components
scn_z = 0.00978 0.00778 0.01038 0.00559 0.00369 0.00249 0.0017 0.0016 0.0011 0.0009 0.0006 0.0005 0.0004 0.0003 0.00021 0.00016 0.00013 0.0001 0.00008 0.00007 0.00005 0.00004 0.00003 0.00003
! compositions of single carbon numbers
plus_z = 0.0002
! composition of residual fraction CN 20 plus
plus6_z_exp = 0.0478
! composition of residual fraction CN 6 plus
plus7_z_exp = 0.0381
! composition of residual fraction CN 7 plus
plus12_z_exp = 0.0082
! composition of residual fraction CN 12 plus
plus30_z_exp = 0.0002
! composition of residual fraction CN 30 plus
/
&nml_molecular_weight
def_comp_mw = 28.01 44.01 16 30.1 44.1 58.1 58.1 72.2 72.2
! molecular weights of defined components
scn_mw = 85.71 96.64 108.98 124.03 137.52 145.38 161.53 169.94 186.01 197.43 233.32 242.3 255.76 269.22 279.99 294.34 308.69 323.04 337.39 351.74 366.08 380.43 394.78 409.13
! molecular weights of single carbon numbers
plus_mw = 551.2
! molecular weight of residual fraction CN 20 plus
plus6_mw_exp = 126.64
! molecular weight of residual fraction CN 6 plus
plus7_mw_exp = 134.38
! molecular weight of residual fraction CN 7 plus
plus12_mw_exp = 217.35
! molecular weight of residual fraction CN 12 plus
plus30_mw_exp = 551.2
! molecular weight of residual fraction CN 30 plus
/
&nml_density
scn_density = 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
! density of single carbon numbers
plus_density = 0.9804
! density of residual fraction CN 20 plus
plus6_density_exp = 0.7728
! density of residual fraction CN 6 plus
plus7_density_exp = 0.7889
! density of residual fraction CN 7 plus
plus12_density_exp = 0.8414
! density of residual fraction CN 12 plus
plus30_density_exp = 0.9804
! density of residual fraction CN 30 plus
/
74 changes: 74 additions & 0 deletions PVT5.nml
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! Namelist based input file
! ==============================================================================
! - PVT5 from whitson dataset
! - Composition: molar
! - Molecular Weights: g/mol
! - Density: g/cm3
!
!
&nml_setup
def_comp_nc = 9
! number of defined components before scn
scn_nc = 24
! number of single carbon number components
scn_nc_ps = 30
! CN from which all SCN fractions will be lumped into the specified number of pseudos
numbers_ps = 5
! number of pseudos in which the scn fractions grouped
/
&nml_components
def_components = "N2" "CO2" "C1" "C2" "C3" "iC4" "nC4" "iC5" "nC5"
! names of defined components before scn
scn = 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29
! names of scn fractions
scn_plus= "C30+"
! name of plus fraction
/
&nml_composition
def_comp_z = 0.0026 0.0053 0.5403 0.1260 0.0764 0.0139 0.0341 0.0136 0.0168
! compositions of defined components
scn_z = 0.0213 0.0183 0.0205 0.0152 0.0112 0.0098 0.0079 0.0072 0.0055 0.0040 0.0031 0.0027 0.0025 0.0022 0.0017 0.0015 0.0013 0.0012 0.0010 0.0010 0.0008 0.0007 0.0006 0.0006
! compositions of single carbon numbers
plus_z = 0.0057
! composition of residual fraction CN 20 plus
plus6_z_exp = 0.1711
! composition of residual fraction CN 6 plus
plus7_z_exp = 0.1492
! composition of residual fraction CN 7 plus
plus12_z_exp = 0.0512
! composition of residual fraction CN 12 plus
plus30_z_exp = 0.0057
! composition of residual fraction CN 30 plus
/
&nml_molecular_weight
def_comp_mw = 28.01 44.01 16 30.1 44.1 58.1 58.1 72.2 72.2
! molecular weights of defined components
scn_mw = 86 95.9 108.2 124 138.3 147.5 161.1 174.1 189.5 207.7 223.1 236.6 247.8 262 276.8 297.8 310.3 312.2 325.3 353.6 360.2 377.3 384.0 401.5
! molecular weights of single carbon numbers
plus_mw = 579.2
! molecular weight of residual fraction CN 20 plus
plus6_mw_exp = 157.21
! molecular weight of residual fraction CN 6 plus
plus7_mw_exp = 167.73
! molecular weight of residual fraction CN 7 plus
plus12_mw_exp = 265.89
! molecular weight of residual fraction CN 12 plus
plus30_mw_exp = 579.2
! molecular weight of residual fraction CN 30 plus
/
&nml_density
scn_density = 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
! density of single carbon numbers
plus_density = 0.9837
! density of residual fraction CN 20 plus
plus6_density_exp = 0.8102
! density of residual fraction CN 6 plus
plus7_density_exp = 0.8214
! density of residual fraction CN 7 plus
plus12_density_exp = 0.8732
! density of residual fraction CN 12 plus
plus30_density_exp = 0.9837
! density of residual fraction CN 30 plus
/


78 changes: 78 additions & 0 deletions YPF2.nml
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! Namelist based input file
! ==============================================================================
! - YPF2
! - Composition: molar
! - Molecular Weights: g/mol
! - Density: g/cm3
!
!
&nml_setup
def_comp_nc = 9
! number of defined components before scn
scn_nc = 14
! number of single carbon number components
scn_nc_ps = 20
! CN from which all SCN fractions will be lumped into the specified number of pseudos
numbers_ps = 5
! number of pseudos in which the scn fractions grouped
density_setup = .true.
! Logical variable to choose the density calculation method
number_plus_density = 6
! CN from which we considered .......
/
&nml_components
def_components = "N2" "CO2" "C1" "C2" "C3" "iC4" "nC4" "iC5" "nC5"
! names of defined components before scn
scn = 6 7 8 9 10 11 12 13 14 15 16 17 18 19
! names of scn fractions
scn_plus= "C20+"
! name of plus fraction
/
&nml_composition
def_comp_z = 0.00005 0.01963 0.06271 0.00707 0.01354 0.0045 0.01607 0.01069 0.01562
! compositions of defined components
scn_z = 0.03374 0.06051 0.08007 0.06365 0.05495 0.03993 0.03139 0.03392 0.03133 0.03183 0.03042 0.02984 0.03127 0.02964
! compositions of single carbon numbers
plus_z = 0.26762
! composition of residual fraction CN 20 plus
plus6_z_exp = 0.26762
! composition of residual fraction CN 6 plus
plus7_z_exp = 0.26762
! composition of residual fraction CN 7 plus
plus12_z_exp = 0.26762
! composition of residual fraction CN 12 plus
plus30_z_exp = 0.26762
! composition of residual fraction CN 30 plus
/
&nml_molecular_weight
def_comp_mw = 28.01 44.01 16 30.1 44.1 58.1 58.1 72.1 72.1
! molecular weights of defined components
scn_mw = 84 96 107 121 134 147 161 175 190 206 222 237 251 263
! molecular weights of single carbon numbers
plus_mw = 543.35
! molecular weight of residual fraction CN 20 plus
plus6_mw_exp = 465
! molecular weight of residual fraction CN 6 plus
plus7_mw_exp = 500
! molecular weight of residual fraction CN 7 plus
plus12_mw_exp = 600
! molecular weight of residual fraction CN 12 plus
plus30_mw_exp = 700
! molecular weight of residual fraction CN 30 plus
/
&nml_density
scn_density = 0.685 0.749 0.768 0.793 0.808 0.815 0.836 0.85 0.861 0.873 0.882 0.873 0.875 0.885
! density of single carbon numbers
plus_density = 0.936
! density of residual fraction CN 20 plus
plus6_density_exp = 0.77
! density of residual fraction CN 6 plus
plus7_density_exp = 0.77
! density of residual fraction CN 7 plus
plus12_density_exp = 0.77
! density of residual fraction CN 12 plus
plus30_density_exp = 0.77
! density of residual fraction CN 30 plus
/


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