mirror of
https://github.com/CoolProp/CoolProp.git
synced 2026-01-21 03:48:08 -05:00
272 lines
8.8 KiB
Python
272 lines
8.8 KiB
Python
from __future__ import print_function
|
|
import os, json, glob, textwrap
|
|
|
|
json_options = {'indent' : 2, 'sort_keys' : True}
|
|
|
|
# Data from Mulero, JPCRD, 2012
|
|
# CAS codes added from CoolProp 4.2, and wikipedia where necessary
|
|
Mulero_data = """67-64-1 Acetone 0.0633 1.160
|
|
7664-41-7 Ammonia 0.1028 1.211 -0.09453 5.585
|
|
7440-37-1 Argon 0.037 1.25
|
|
71-43-2 Benzene 0.07298 1.232 -0.0007802 0.8635 -0.0001756 0.3065
|
|
106-97-8 n-Butane 0.05138 1.209
|
|
106-98-9 1-Butene 0.05644 1.248
|
|
112-40-3 n-Dodecane 0.0154 4.180 0.0480 1.170
|
|
355-25-9 Decafluorobutane 0.04429 1.242
|
|
124-38-9 CarbonDioxide 0.07863 1.254
|
|
630-08-0 CarbonMonoxide 0.02843 1.148
|
|
463-58-1 CarbonylSulfide 0.07246 1.407
|
|
110-82-7 Cyclohexane 0.06485 1.263
|
|
124-18-5 n-Decane 0.05473 1.290
|
|
7782-39-0 Deuterium 0.009376 1.258
|
|
7789-20-0 D2O -0.1423 2.645 0.2094 1.214
|
|
115-10-6 DimethylEther 0.063157 1.2595
|
|
74-84-0 Ethane 0.07602 1.320 -0.02912 1.676
|
|
64-17-5 Ethanol 0.05 0.952
|
|
74-85-1 Ethylene 0.0477 1.170
|
|
7782-41-4 Fluorine 0.03978 1.218
|
|
7440-59-7 Helium 0.0004656 1.040 0.001889 2.468 -0.002006 2.661
|
|
142-82-5 n-Heptane 0.07765 1.319 -0.02599 1.600
|
|
110-54-3 n-Hexane 0.210952 1.0962 -0.158485 1.05893
|
|
1333-74-0 Hydrogen -1.4165 0.63882 0.746383 0.659804 0.675625 0.619149
|
|
7783-06-4 HydrogenSulfide 0.078557 1.2074
|
|
75-28-5 Isobutane -0.01639 2.102 0.06121 1.304
|
|
115-11-7 Isobutene 0.0545 1.230
|
|
107-83-5 Isohexane 0.05024 1.194
|
|
78-78-4 Isopentane 0.051 1.209
|
|
7439-90-9 Krypton 0.0447 1.245
|
|
74-82-8 Methane 0.03825 1.191 -0.006024 5.422 -0.0007065 0.6161
|
|
67-56-1 Methanol 0.22421 1.3355 -0.21408 1.677 0.083233 4.4402
|
|
7440-01-9 Neon 0.012254 1.4136 0.02728 1.4517 -0.025715 1.6567
|
|
7727-37-9 Nitrogen 0.02898 1.246
|
|
10024-97-2 NitrousOxide 0.07087 1.204
|
|
111-84-2 n-Nonane 0.05388 1.262
|
|
111-65-9 n-Octane 0.34338 1.6607 -0.50634 1.9632 0.2238 2.3547
|
|
7782-44-7 Oxygen 0.03843 1.225
|
|
1333-74-0p Parahydrogen 0.005314 1.060
|
|
109-66-0 n-Pentane 0.08015 1.408 0.004384 1.031 -0.03437 1.818
|
|
678-26-2 Perfluoropentane 0.04394 1.254
|
|
74-98-6 n-Propane 0.05334 1.235 -0.01748 4.404
|
|
115-07-1 Propylene 0.05268 1.186
|
|
74-99-7 Propyne 0.05801 1.205
|
|
75-69-4 R11 0.06212 1.247
|
|
75-71-8 R12 -0.000124 0.4318 0.05662 1.263
|
|
75-72-9 R13 0.05045 1.269
|
|
75-73-0 R14 0.0423 1.24
|
|
75-43-4 R21 0.06924 1.259
|
|
75-45-6 R22 3.0587 1.41809 -2.99856 1.42291
|
|
75-46-7 R23 -0.32359 1.6055 0.37702 1.5232
|
|
75-10-5 R32 0.07147 1.246
|
|
593-53-3 R41 0.05049 1.242
|
|
76-13-1 R113 0.0556 1.24
|
|
76-14-2 R114 0.05239 1.258
|
|
76-15-3 R115 0.04771 1.246
|
|
76-16-4 R116 0.047593 1.2666 -0.0073402 1.9892
|
|
306-83-2 R123 0.056151 1.2367
|
|
2837-89-0 R124 0.05175 1.197
|
|
354-33-6 R125 0.05252 1.237
|
|
811-97-2 R134a 0.05801 1.241
|
|
1717-00-6 R141b 7.3958e-5 0.066331 0.059941 1.2214
|
|
75-68-3 R142b 0.05685 1.237
|
|
420-46-2 R143a 0.05416 1.255
|
|
75-37-6 R152a 0.05808 1.2115
|
|
353-36-6 R161 0.05385 1.111
|
|
76-19-7 R218 0.04322 1.224
|
|
431-89-0 R227ea 0.06127 1.192 -0.009516 0.9795 -0.00192 1.421
|
|
431-63-0 R236ea 0.306974 1.12614 -0.247277 1.09899
|
|
690-39-1 R236fa 0.05389 1.249
|
|
679-86-7 R245ca 0.069297 1.2795 -0.022419 3.1368
|
|
460-73-1 R245fa 0.073586 1.0983 0.0103 0.60033 -0.02663 0.72765
|
|
406-58-6 R365mfc 0.0534 1.210
|
|
754-12-1 R1234yf 0.06274 1.394
|
|
115-25-3 RC318 0.0507 1.250
|
|
7446-09-5 SulfurDioxide 0.0803 0.928 0.0139 1.570 -0.0114 0.364
|
|
2551-62-4 SulfurHexafluoride 0.0538 1.271 -4.064e-5 0.2116
|
|
108-88-3 Toluene 0.06897 1.291
|
|
2314-97-8 Trifluoroiodomethane 0.05767 1.298
|
|
7732-18-5 Water -0.1306 2.471 0.2151 1.233
|
|
7440-63-3 Xenon -0.11538 1.0512 0.16598 1.098"""
|
|
|
|
def inject_surface_tension(root_dir):
|
|
print("*** Injecting surface tension curves from Mulero")
|
|
Tc_dict = {'Argon':150.687,
|
|
'Benzene':562.02,
|
|
'1-Butene':419.29, #Butene from Mulero
|
|
'CarbonMonoxide':132.86,
|
|
'Cyclohexane':553.64,
|
|
'D2O':643.847,
|
|
'n-Decane':617.7,
|
|
'Ethane':305.322,
|
|
'Fluorine':144.414,
|
|
'Helium':5.1953,
|
|
'Isobutane':407.81,
|
|
'Isobutene':418.09,
|
|
'Isopentane':460.35,
|
|
'Methanol':513.38,
|
|
'Nitrogen':126.192,
|
|
'n-Nonane':594.55,
|
|
'Oxygen':154.581,
|
|
'Parahydrogen':32.938,
|
|
'Perfluorobutane':386.326,
|
|
'n-Propane':369.89,
|
|
'Propyne':402.38,
|
|
'R11':471.11,
|
|
'R113':487.21,
|
|
'R114':418.83,
|
|
'R115':353.1,
|
|
'R123':456.831,
|
|
'R1234yf':367.85,
|
|
'R124':395.425,
|
|
'R125':339.173,
|
|
'R134a':374.21,
|
|
'R14':227.51,
|
|
'R142b':410.26,
|
|
'R143a':345.857,
|
|
'R152a':386.411,
|
|
'R21':451.48,
|
|
'R218':345.02,
|
|
'R227ea':374.9,
|
|
'R32':351.255,
|
|
'R365mfc':460,
|
|
'RC318':388.38,
|
|
'SulfurDioxide':430.64,
|
|
'Toluene':591.75,
|
|
'Trifluoroiodomethane':396.44,
|
|
'Water':647.096,
|
|
'Acetone':508.1,
|
|
'n-Butane':425.125,
|
|
'CarbonDioxide':304.128,
|
|
'DimethylEther':400.378,
|
|
'n-Dodecane':658.1, #Decane in Mulero
|
|
'Ethylene':282.35,
|
|
'n-Heptane':540.13,
|
|
'n-Hexane':507.82,
|
|
'HydrogenSulfide':373.1,
|
|
'Isohexane':497.7,
|
|
'Krypton':209.48,
|
|
'NitrousOxide':309.52,
|
|
'n-Pentane':469.7,
|
|
'R116':293.03,
|
|
'R13':302,
|
|
'R23':299.293,
|
|
'R245ca':447.57,
|
|
'Xenon':289.733,
|
|
'CarbonylSulfide':378.77,
|
|
'Hydrogen':33.145,
|
|
'Methane':190.564,
|
|
'n-Octane':569.32,
|
|
'Perfluoropentane':420.555,
|
|
'Propylene':364.211,
|
|
'R12':385.12,
|
|
'R141b':477.5,
|
|
'R161':375.3,
|
|
'R22':369.295,
|
|
'R236ea':412.44,
|
|
'R236fa':398.07,
|
|
'R245fa':427.16,
|
|
'R41':317.28,
|
|
'SulfurHexafluoride':318.723,
|
|
'Ammonia':405.4,
|
|
'Deuterium':38.34,
|
|
'Ethanol':513.9,
|
|
'Neon':44.4918,
|
|
'Decafluorobutane':113.3+273.15 # According to http://encyclopedia.airliquide.com/Encyclopedia.asp?GasID=19#GeneralData, not in Mulero
|
|
}
|
|
|
|
import glob, json, os
|
|
for row in Mulero_data.split('\n'):
|
|
row = row.split(' ')
|
|
cas = row.pop(0)
|
|
name = row.pop(0)
|
|
a = row[0:len(row):2]
|
|
a = [float(_) for _ in a]
|
|
n = row[1:len(row):2]
|
|
n = [float(_) for _ in n]
|
|
if name not in Tc_dict:
|
|
raise ValueError( 'could not find Tc for ' + name)
|
|
continue
|
|
Tc = Tc_dict[name]
|
|
|
|
# The dictionary of values for the surface tension
|
|
j_st = dict(Tc = Tc,
|
|
a = a,
|
|
n = n,
|
|
BibTeX = 'Mulero-JPCRD-2012',
|
|
description = 'sigma = sum(a_i*(1-T/Tc)^n_i)'
|
|
)
|
|
|
|
fname = os.path.join(root_dir,'dev','fluids',name+'.json')
|
|
if not os.path.exists(fname):
|
|
print(fname+' does not exist')
|
|
continue
|
|
|
|
j = json.load(open(fname,'r'))
|
|
|
|
j['ANCILLARIES']['surface_tension'] = j_st
|
|
|
|
fp = open(fname, 'w')
|
|
fp.write(json.dumps(j, **json_options))
|
|
fp.close()
|
|
|
|
def inject_environmental_data(root_dir):
|
|
print('*** Injecting environmental data from DTU')
|
|
j = json.load(open(os.path.join(root_dir,'dev','environmental_data_from_DTU','DTU_environmental.json'),'r'))
|
|
|
|
for CAS in j:
|
|
data = j[CAS]
|
|
fname = os.path.join(root_dir,'dev','fluids',data['Name']+'.json')
|
|
if os.path.isfile(fname):
|
|
fluid = json.load(open(fname,'r'))
|
|
fluid['ENVIRONMENTAL'] = data
|
|
fp = open(fname, 'w')
|
|
fp.write(json.dumps(fluid, **json_options))
|
|
else:
|
|
print('Could not inject environmental data for',data['Name'])
|
|
|
|
def inject_ancillaries(root_dir):
|
|
print('*** Injecting saturation ancillary curves')
|
|
master = []
|
|
|
|
for file in glob.glob(os.path.join(root_dir,'dev','fluids','*.json')):
|
|
path, file_name = os.path.split(file)
|
|
fluid_name = file_name.split('.')[0]
|
|
# Load the fluid file
|
|
fluid = json.load(open(os.path.join(root_dir,'dev','fluids', fluid_name+'.json'), 'r'))
|
|
|
|
# Load the ancillary
|
|
anc = json.load(open(os.path.join(root_dir,'dev','ancillaries',fluid_name+'_anc.json'),'r'))
|
|
# Apply the ancillary by merging dictionaries
|
|
fluid.update(anc)
|
|
# Write fluid back to file
|
|
fp = open(os.path.join(root_dir,'dev','fluids', fluid_name+'.json'),'w')
|
|
fp.write(json.dumps(fluid, **json_options))
|
|
|
|
def package_json(root_dir):
|
|
|
|
master = []
|
|
|
|
inject_ancillaries(root_dir)
|
|
inject_surface_tension(root_dir)
|
|
inject_environmental_data(root_dir)
|
|
|
|
print('*** Combining fluid JSON files in JSON format in dev folder...')
|
|
for file in glob.glob(os.path.join(root_dir,'dev','fluids','*.json')):
|
|
|
|
path, file_name = os.path.split(file)
|
|
fluid_name = file_name.split('.')[0]
|
|
|
|
# Load the fluid file
|
|
fluid = json.load(open(os.path.join(root_dir,'dev','fluids', fluid_name+'.json'), 'r'))
|
|
|
|
master += [fluid]
|
|
|
|
fp = open(os.path.join(root_dir,'dev','all_fluids_verbose.json'),'w')
|
|
fp.write(json.dumps(master, **json_options))
|
|
fp.close()
|
|
|
|
fp = open(os.path.join(root_dir,'dev','all_fluids.json'),'w')
|
|
fp.write(json.dumps(master))
|
|
fp.close()
|
|
|
|
if __name__=='__main__':
|
|
package_json(root_dir = '..') |