new test cases from cantera 1-D flame solution

testApp/Alltest2.py

@@ -0,0 +1,61 @@
+#!/usr/bin/python
+#
+
+import os, sys
+
+import shutil
+
+import csv
+
+import subprocess as sp
+
+import argparse
+
+parser = argparse.ArgumentParser()
+parser.add_argument("test_set", help="Cantera 1-D flame result csv file used as a test set")
+parser.add_argument("cases_dir", help="directory where dummy OpenFOAM cases for test are created")
+args = parser.parse_args()
+
+cases_dir = args.cases_dir
+
+test_set_file = args.test_set
+
+
+os.mkdir(cases_dir)
+
+exit_code=0
+
+error_cases=[]
+
+
+FNULL = open(os.devnull, 'w')
+
+with open('./c2h6_diffusion.csv', 'rb') as csvfile:
+    spamreader = csv.reader(csvfile) # , delimiter=' ', quotechar='|')
+
+    header = spamreader.next()
+
+    print header
+    species = header[5:]
+
+    for row in spamreader:
+        record = { k.split()[0]:v for k, v in zip(header, row)}
+
+        case = os.path.join(cases_dir, record['z'])
+        case_ic = os.path.join(case, "constant/initialConditions")
+
+        shutil.copytree("gri2", case)
+        # sp.check_call(("echo foamDictionary -entry fractions -set '{}' cases2/"+record['z']+"/constant/initialConditions").split())
+
+        sp.check_call(("foamDictionary -entry Tl -set ").split() + [record["T"] , case_ic], stdout=FNULL)
+
+        for s in species:
+            sp.check_call(("foamDictionary -entry fractions." + s + " -set ").split() + [record[s] , case_ic], stdout=FNULL)
+
+        error = sp.call(("./canteraTest -case " + case).split())
+
+        error_cases.append(error)
+
+print error_cases
+
+sys.exit(sum(error_cases))

testApp/c2h6_diffusion.csv

@@ -0,0 +1,97 @@
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testApp/ch4_adiabatic.csv

@@ -0,0 +1,197 @@
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+0.059999999999999998,2.8494041692569541,0.0,2230.1648471975077,0.1498367165417183,0.003500992358773089,0.00039995222459374223,0.0002420846960333431,0.0053583034005333209,0.0030625260819833306,0.18397288971145839,5.7018476144076339e-07,5.0231194902808913e-08,2.3568087206876802e-17,3.2589607894793071e-18,7.7481432591203095e-18,4.7103762424329044e-19,4.3524575655799193e-17,2.01390976775045e-17,0.0087167356124059105,0.085209357378727688,7.8215832117072989e-10,1.2413979249876721e-11,3.8968296703741582e-17,6.2280745177911164e-19,3.0720647094129472e-18,2.9801362718254147e-24,6.9385791806691468e-22,5.3108787535563446e-27,6.0524882602858718e-27,6.5975587029596807e-29,3.4479826677153819e-29,4.599762542156567e-20,5.414396278375502e-20,5.5126257103420709e-23,6.3924082188630835e-09,6.1565846131129446e-10,2.047321290983934e-10,5.5317243836231792e-10,7.7671771178149807e-10,0.00015918383832768429,3.1112178160792117e-08,9.9577912918038957e-08,3.0058846107765237e-09,1.7268737187842087e-14,4.541382017499792e-12,1.3031868054677267e-18,1.2583384695007598e-21,2.2015049982004405e-17,2.7162289000973218e-13,9.0337207707326476e-11,3.9965325186518791e-12,0.70937721114880603,0.0,2.1636360284243514e-42,2.4509515428708372e-43,2.255532674169947e-25,5.6603726113698796e-27

testApp/chemFoam.C

@@ -85,9 +85,7 @@ int main(int argc, char *argv[])
 
     Info<< "\nCreate temperature space\n" << endl;
 
-    scalar Tl = 300;
+    scalarField T(Tn, 0.0);
-    scalar Tu = 3000;
-    scalarField T(100, 0.0);
     forAll (T, i)
     {
         T[i] = i * (Tu - Tl) / scalar(T.size()) + Tl;

testApp/gri/constant/initialConditions

@@ -30,5 +30,11 @@ p               101325;
 
 T               300;
 
+Tl               300;
+
+Tu               3000;
+
+Tn               100;
+
 
 // ************************************************************************* //

testApp/onedim/constant/GRI30/grimech30.dat

@@ -0,0 +1,449 @@
+! GRI-Mech Version 3.0 7/30/99  CHEMKIN-II format
+! See README30 file at anonymous FTP site unix.sri.com, directory gri;
+! WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or
+! through http://www.gri.org , under 'Basic  Research', 
+! for additional information, contacts, and disclaimer
+ELEMENTS
+O  H  C  N  AR
+END
+SPECIES
+H2      H       O       O2      OH      H2O     HO2     H2O2    
+C       CH      CH2     CH2(S)  CH3     CH4     CO      CO2     
+HCO     CH2O    CH2OH   CH3O    CH3OH   C2H     C2H2    C2H3    
+C2H4    C2H5    C2H6    HCCO    CH2CO   HCCOH   N       NH      
+NH2     NH3     NNH     NO      NO2     N2O     HNO     CN      
+HCN     H2CN    HCNN    HCNO    HOCN    HNCO    NCO     N2      
+AR      C3H7    C3H8    CH2CHO  CH3CHO
+END
+!THERMO
+! Insert GRI-Mech thermodynamics here or use in default file
+!END
+REACTIONS
+2O+M<=>O2+M                              1.200E+17   -1.000        .00
+H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ AR/  .83/ 
+O+H+M<=>OH+M                             5.000E+17   -1.000        .00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+O+H2<=>H+OH                              3.870E+04    2.700    6260.00
+O+HO2<=>OH+O2                            2.000E+13     .000        .00
+O+H2O2<=>OH+HO2                          9.630E+06    2.000    4000.00
+O+CH<=>H+CO                              5.700E+13     .000        .00
+O+CH2<=>H+HCO                            8.000E+13     .000        .00
+O+CH2(S)<=>H2+CO                         1.500E+13     .000        .00
+O+CH2(S)<=>H+HCO                         1.500E+13     .000        .00
+O+CH3<=>H+CH2O                           5.060E+13     .000        .00
+O+CH4<=>OH+CH3                           1.020E+09    1.500    8600.00
+O+CO(+M)<=>CO2(+M)                       1.800E+10     .000    2385.00
+   LOW/ 6.020E+14     .000    3000.00/
+H2/2.00/ O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ AR/ .50/ 
+O+HCO<=>OH+CO                            3.000E+13     .000        .00
+O+HCO<=>H+CO2                            3.000E+13     .000        .00
+O+CH2O<=>OH+HCO                          3.900E+13     .000    3540.00
+O+CH2OH<=>OH+CH2O                        1.000E+13     .000        .00
+O+CH3O<=>OH+CH2O                         1.000E+13     .000        .00
+O+CH3OH<=>OH+CH2OH                       3.880E+05    2.500    3100.00
+O+CH3OH<=>OH+CH3O                        1.300E+05    2.500    5000.00
+O+C2H<=>CH+CO                            5.000E+13     .000        .00
+O+C2H2<=>H+HCCO                          1.350E+07    2.000    1900.00
+O+C2H2<=>OH+C2H                          4.600E+19   -1.410   28950.00
+O+C2H2<=>CO+CH2                          6.940E+06    2.000    1900.00
+O+C2H3<=>H+CH2CO                         3.000E+13     .000        .00
+O+C2H4<=>CH3+HCO                         1.250E+07    1.830     220.00
+O+C2H5<=>CH3+CH2O                        2.240E+13     .000        .00
+O+C2H6<=>OH+C2H5                         8.980E+07    1.920    5690.00
+O+HCCO<=>H+2CO                           1.000E+14     .000        .00
+O+CH2CO<=>OH+HCCO                        1.000E+13     .000    8000.00
+O+CH2CO<=>CH2+CO2                        1.750E+12     .000    1350.00
+O2+CO<=>O+CO2                            2.500E+12     .000   47800.00
+O2+CH2O<=>HO2+HCO                        1.000E+14     .000   40000.00
+H+O2+M<=>HO2+M                           2.800E+18    -.860        .00
+O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/ .00/ AR/ .00/ 
+H+2O2<=>HO2+O2                           2.080E+19   -1.240        .00
+H+O2+H2O<=>HO2+H2O                       11.26E+18    -.760        .00
+H+O2+N2<=>HO2+N2                         2.600E+19   -1.240        .00
+H+O2+AR<=>HO2+AR                         7.000E+17    -.800        .00
+H+O2<=>O+OH                              2.650E+16    -.6707  17041.00
+2H+M<=>H2+M                              1.000E+18   -1.000        .00
+H2/ .00/ H2O/ .00/ CH4/2.00/ CO2/ .00/ C2H6/3.00/ AR/ .63/ 
+2H+H2<=>2H2                              9.000E+16    -.600        .00
+2H+H2O<=>H2+H2O                          6.000E+19   -1.250        .00
+2H+CO2<=>H2+CO2                          5.500E+20   -2.000        .00
+H+OH+M<=>H2O+M                           2.200E+22   -2.000        .00
+H2/ .73/ H2O/3.65/ CH4/2.00/ C2H6/3.00/ AR/ .38/ 
+H+HO2<=>O+H2O                            3.970E+12     .000     671.00
+H+HO2<=>O2+H2                            4.480E+13     .000    1068.00
+H+HO2<=>2OH                              0.840E+14     .000     635.00
+H+H2O2<=>HO2+H2                          1.210E+07    2.000    5200.00
+H+H2O2<=>OH+H2O                          1.000E+13     .000    3600.00
+H+CH<=>C+H2                              1.650E+14     .000        .00
+H+CH2(+M)<=>CH3(+M)                      6.000E+14     .000        .00
+     LOW  /  1.040E+26   -2.760   1600.00/
+     TROE/   .5620  91.00  5836.00  8552.00/
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+CH2(S)<=>CH+H2                         3.000E+13     .000        .00
+H+CH3(+M)<=>CH4(+M)                      13.90E+15    -.534     536.00
+     LOW  /  2.620E+33   -4.760   2440.00/
+     TROE/   .7830   74.00  2941.00  6964.00 /
+H2/2.00/ H2O/6.00/ CH4/3.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+CH4<=>CH3+H2                           6.600E+08    1.620   10840.00
+H+HCO(+M)<=>CH2O(+M)                     1.090E+12     .480    -260.00
+     LOW  /  2.470E+24   -2.570    425.00/
+     TROE/   .7824  271.00  2755.00  6570.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+HCO<=>H2+CO                            7.340E+13     .000        .00
+H+CH2O(+M)<=>CH2OH(+M)                   5.400E+11     .454    3600.00
+     LOW  /  1.270E+32   -4.820   6530.00/
+     TROE/   .7187  103.00  1291.00  4160.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+H+CH2O(+M)<=>CH3O(+M)                    5.400E+11     .454    2600.00
+     LOW  /  2.200E+30   -4.800   5560.00/
+     TROE/   .7580   94.00  1555.00  4200.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+H+CH2O<=>HCO+H2                          5.740E+07    1.900    2742.00
+H+CH2OH(+M)<=>CH3OH(+M)                  1.055E+12     .500      86.00
+     LOW  /  4.360E+31   -4.650   5080.00/
+     TROE/   .600  100.00  90000.0  10000.0 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+H+CH2OH<=>H2+CH2O                        2.000E+13     .000        .00
+H+CH2OH<=>OH+CH3                         1.650E+11     .650    -284.00
+H+CH2OH<=>CH2(S)+H2O                     3.280E+13    -.090     610.00
+H+CH3O(+M)<=>CH3OH(+M)                   2.430E+12     .515      50.00
+     LOW  /  4.660E+41   -7.440   14080.0/
+     TROE/   .700  100.00  90000.0 10000.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+H+CH3O<=>H+CH2OH                         4.150E+07    1.630    1924.00
+H+CH3O<=>H2+CH2O                         2.000E+13     .000        .00
+H+CH3O<=>OH+CH3                          1.500E+12     .500    -110.00
+H+CH3O<=>CH2(S)+H2O                      2.620E+14    -.230    1070.00
+H+CH3OH<=>CH2OH+H2                       1.700E+07    2.100    4870.00
+H+CH3OH<=>CH3O+H2                        4.200E+06    2.100    4870.00
+H+C2H(+M)<=>C2H2(+M)                     1.000E+17   -1.000        .00
+     LOW  /  3.750E+33   -4.800   1900.00/
+     TROE/   .6464  132.00  1315.00  5566.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H2(+M)<=>C2H3(+M)                    5.600E+12     .000    2400.00
+     LOW  /  3.800E+40   -7.270   7220.00/
+     TROE/   .7507   98.50  1302.00  4167.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H3(+M)<=>C2H4(+M)                    6.080E+12     .270     280.00
+     LOW  /  1.400E+30   -3.860   3320.00/
+     TROE/   .7820  207.50  2663.00  6095.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H3<=>H2+C2H2                         3.000E+13     .000        .00
+H+C2H4(+M)<=>C2H5(+M)                    0.540E+12     .454    1820.00
+     LOW  /  0.600E+42   -7.620   6970.00/
+     TROE/   .9753  210.00   984.00  4374.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H4<=>C2H3+H2                         1.325E+06    2.530   12240.00
+H+C2H5(+M)<=>C2H6(+M)                    5.210E+17    -.990    1580.00
+     LOW  /  1.990E+41   -7.080   6685.00/
+     TROE/   .8422  125.00  2219.00  6882.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C2H5<=>H2+C2H4                         2.000E+12     .000        .00
+H+C2H6<=>C2H5+H2                         1.150E+08    1.900    7530.00
+H+HCCO<=>CH2(S)+CO                       1.000E+14     .000        .00
+H+CH2CO<=>HCCO+H2                        5.000E+13     .000    8000.00
+H+CH2CO<=>CH3+CO                         1.130E+13     .000    3428.00
+H+HCCOH<=>H+CH2CO                        1.000E+13     .000        .00
+H2+CO(+M)<=>CH2O(+M)                     4.300E+07    1.500   79600.00
+     LOW  /  5.070E+27   -3.420  84350.00/
+     TROE/   .9320  197.00  1540.00 10300.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+OH+H2<=>H+H2O                            2.160E+08    1.510    3430.00
+2OH(+M)<=>H2O2(+M)                       7.400E+13    -.370        .00
+     LOW  /  2.300E+18    -.900  -1700.00/
+     TROE/   .7346   94.00  1756.00  5182.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+2OH<=>O+H2O                              3.570E+04    2.400   -2110.00
+OH+HO2<=>O2+H2O                          1.450E+13     .000    -500.00
+ DUPLICATE
+OH+H2O2<=>HO2+H2O                        2.000E+12     .000     427.00
+ DUPLICATE
+OH+H2O2<=>HO2+H2O                        1.700E+18     .000   29410.00
+ DUPLICATE
+OH+C<=>H+CO                              5.000E+13     .000        .00
+OH+CH<=>H+HCO                            3.000E+13     .000        .00
+OH+CH2<=>H+CH2O                          2.000E+13     .000        .00
+OH+CH2<=>CH+H2O                          1.130E+07    2.000    3000.00
+OH+CH2(S)<=>H+CH2O                       3.000E+13     .000        .00
+OH+CH3(+M)<=>CH3OH(+M)                   2.790E+18   -1.430    1330.00
+     LOW  /  4.000E+36   -5.920   3140.00/
+     TROE/   .4120  195.0  5900.00  6394.00/ 
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+OH+CH3<=>CH2+H2O                         5.600E+07    1.600    5420.00
+OH+CH3<=>CH2(S)+H2O                      6.440E+17   -1.340    1417.00
+OH+CH4<=>CH3+H2O                         1.000E+08    1.600    3120.00
+OH+CO<=>H+CO2                            4.760E+07    1.228      70.00
+OH+HCO<=>H2O+CO                          5.000E+13     .000        .00
+OH+CH2O<=>HCO+H2O                        3.430E+09    1.180    -447.00
+OH+CH2OH<=>H2O+CH2O                      5.000E+12     .000        .00
+OH+CH3O<=>H2O+CH2O                       5.000E+12     .000        .00
+OH+CH3OH<=>CH2OH+H2O                     1.440E+06    2.000    -840.00
+OH+CH3OH<=>CH3O+H2O                      6.300E+06    2.000    1500.00
+OH+C2H<=>H+HCCO                          2.000E+13     .000        .00
+OH+C2H2<=>H+CH2CO                        2.180E-04    4.500   -1000.00
+OH+C2H2<=>H+HCCOH                        5.040E+05    2.300   13500.00
+OH+C2H2<=>C2H+H2O                        3.370E+07    2.000   14000.00
+OH+C2H2<=>CH3+CO                         4.830E-04    4.000   -2000.00
+OH+C2H3<=>H2O+C2H2                       5.000E+12     .000        .00
+OH+C2H4<=>C2H3+H2O                       3.600E+06    2.000    2500.00
+OH+C2H6<=>C2H5+H2O                       3.540E+06    2.120     870.00
+OH+CH2CO<=>HCCO+H2O                      7.500E+12     .000    2000.00
+2HO2<=>O2+H2O2                           1.300E+11     .000   -1630.00
+ DUPLICATE
+2HO2<=>O2+H2O2                           4.200E+14     .000   12000.00
+ DUPLICATE
+HO2+CH2<=>OH+CH2O                        2.000E+13     .000        .00
+HO2+CH3<=>O2+CH4                         1.000E+12     .000        .00
+HO2+CH3<=>OH+CH3O                        3.780E+13     .000        .00
+HO2+CO<=>OH+CO2                          1.500E+14     .000   23600.00
+HO2+CH2O<=>HCO+H2O2                      5.600E+06    2.000   12000.00
+C+O2<=>O+CO                              5.800E+13     .000     576.00
+C+CH2<=>H+C2H                            5.000E+13     .000        .00
+C+CH3<=>H+C2H2                           5.000E+13     .000        .00
+CH+O2<=>O+HCO                            6.710E+13     .000        .00
+CH+H2<=>H+CH2                            1.080E+14     .000    3110.00
+CH+H2O<=>H+CH2O                          5.710E+12     .000    -755.00
+CH+CH2<=>H+C2H2                          4.000E+13     .000        .00
+CH+CH3<=>H+C2H3                          3.000E+13     .000        .00
+CH+CH4<=>H+C2H4                          6.000E+13     .000        .00
+CH+CO(+M)<=>HCCO(+M)                     5.000E+13     .000        .00
+     LOW  /  2.690E+28   -3.740   1936.00/
+     TROE/   .5757  237.00  1652.00  5069.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+CH+CO2<=>HCO+CO                          1.900E+14     .000   15792.00
+CH+CH2O<=>H+CH2CO                        9.460E+13     .000    -515.00
+CH+HCCO<=>CO+C2H2                        5.000E+13     .000        .00
+CH2+O2=>OH+H+CO                          5.000E+12     .000    1500.00
+CH2+H2<=>H+CH3                           5.000E+05    2.000    7230.00
+2CH2<=>H2+C2H2                           1.600E+15     .000   11944.00
+CH2+CH3<=>H+C2H4                         4.000E+13     .000        .00
+CH2+CH4<=>2CH3                           2.460E+06    2.000    8270.00
+CH2+CO(+M)<=>CH2CO(+M)                   8.100E+11     .500    4510.00
+     LOW  /  2.690E+33   -5.110   7095.00/
+     TROE/   .5907  275.00  1226.00  5185.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+CH2+HCCO<=>C2H3+CO                       3.000E+13     .000        .00
+CH2(S)+N2<=>CH2+N2                       1.500E+13     .000     600.00
+CH2(S)+AR<=>CH2+AR                       9.000E+12     .000     600.00
+CH2(S)+O2<=>H+OH+CO                      2.800E+13     .000        .00
+CH2(S)+O2<=>CO+H2O                       1.200E+13     .000        .00
+CH2(S)+H2<=>CH3+H                        7.000E+13     .000        .00
+CH2(S)+H2O(+M)<=>CH3OH(+M)               4.820E+17   -1.160    1145.00
+     LOW  /  1.880E+38   -6.360   5040.00/
+     TROE/   .6027  208.00  3922.00  10180.0 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+CH2(S)+H2O<=>CH2+H2O                     3.000E+13     .000        .00
+CH2(S)+CH3<=>H+C2H4                      1.200E+13     .000    -570.00
+CH2(S)+CH4<=>2CH3                        1.600E+13     .000    -570.00
+CH2(S)+CO<=>CH2+CO                       9.000E+12     .000        .00
+CH2(S)+CO2<=>CH2+CO2                     7.000E+12     .000        .00
+CH2(S)+CO2<=>CO+CH2O                     1.400E+13     .000        .00
+CH2(S)+C2H6<=>CH3+C2H5                   4.000E+13     .000    -550.00
+CH3+O2<=>O+CH3O                          3.560E+13     .000   30480.00
+CH3+O2<=>OH+CH2O                         2.310E+12     .000   20315.00
+CH3+H2O2<=>HO2+CH4                       2.450E+04    2.470    5180.00
+2CH3(+M)<=>C2H6(+M)                      6.770E+16   -1.180     654.00
+     LOW  /  3.400E+41   -7.030   2762.00/
+     TROE/   .6190  73.20  1180.00  9999.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+2CH3<=>H+C2H5                            6.840E+12     .100   10600.00
+CH3+HCO<=>CH4+CO                         2.648E+13     .000        .00
+CH3+CH2O<=>HCO+CH4                       3.320E+03    2.810    5860.00
+CH3+CH3OH<=>CH2OH+CH4                    3.000E+07    1.500    9940.00
+CH3+CH3OH<=>CH3O+CH4                     1.000E+07    1.500    9940.00
+CH3+C2H4<=>C2H3+CH4                      2.270E+05    2.000    9200.00
+CH3+C2H6<=>C2H5+CH4                      6.140E+06    1.740   10450.00
+HCO+H2O<=>H+CO+H2O                       1.500E+18   -1.000   17000.00
+HCO+M<=>H+CO+M                           1.870E+17   -1.000   17000.00
+H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 
+HCO+O2<=>HO2+CO                          13.45E+12     .000     400.00
+CH2OH+O2<=>HO2+CH2O                      1.800E+13     .000     900.00
+CH3O+O2<=>HO2+CH2O                       4.280E-13    7.600   -3530.00
+C2H+O2<=>HCO+CO                          1.000E+13     .000    -755.00
+C2H+H2<=>H+C2H2                          5.680E+10    0.900    1993.00
+C2H3+O2<=>HCO+CH2O                       4.580E+16   -1.390    1015.00
+C2H4(+M)<=>H2+C2H2(+M)                   8.000E+12     .440   86770.00
+     LOW  /  1.580E+51   -9.300  97800.00/
+     TROE/   .7345  180.00  1035.00  5417.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+C2H5+O2<=>HO2+C2H4                       8.400E+11     .000    3875.00
+HCCO+O2<=>OH+2CO                         3.200E+12     .000     854.00
+2HCCO<=>2CO+C2H2                         1.000E+13     .000        .00
+N+NO<=>N2+O                              2.700E+13     .000     355.00
+N+O2<=>NO+O                              9.000E+09    1.000    6500.00
+N+OH<=>NO+H                              3.360E+13     .000     385.00
+N2O+O<=>N2+O2                            1.400E+12     .000   10810.00
+N2O+O<=>2NO                              2.900E+13     .000   23150.00
+N2O+H<=>N2+OH                            3.870E+14     .000   18880.00
+N2O+OH<=>N2+HO2                          2.000E+12     .000   21060.00
+N2O(+M)<=>N2+O(+M)                       7.910E+10     .000   56020.00
+     LOW  /  6.370E+14     .000  56640.00/
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .625/ 
+HO2+NO<=>NO2+OH                          2.110E+12     .000    -480.00
+NO+O+M<=>NO2+M                           1.060E+20   -1.410        .00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+NO2+O<=>NO+O2                            3.900E+12     .000    -240.00
+NO2+H<=>NO+OH                            1.320E+14     .000     360.00
+NH+O<=>NO+H                              4.000E+13     .000        .00
+NH+H<=>N+H2                              3.200E+13     .000     330.00
+NH+OH<=>HNO+H                            2.000E+13     .000        .00
+NH+OH<=>N+H2O                            2.000E+09    1.200        .00
+NH+O2<=>HNO+O                            4.610E+05    2.000    6500.00
+NH+O2<=>NO+OH                            1.280E+06    1.500     100.00
+NH+N<=>N2+H                              1.500E+13     .000        .00
+NH+H2O<=>HNO+H2                          2.000E+13     .000   13850.00
+NH+NO<=>N2+OH                            2.160E+13    -.230        .00
+NH+NO<=>N2O+H                            3.650E+14    -.450        .00
+NH2+O<=>OH+NH                            3.000E+12     .000        .00
+NH2+O<=>H+HNO                            3.900E+13     .000        .00
+NH2+H<=>NH+H2                            4.000E+13     .000    3650.00
+NH2+OH<=>NH+H2O                          9.000E+07    1.500    -460.00
+NNH<=>N2+H                               3.300E+08     .000        .00
+NNH+M<=>N2+H+M                           1.300E+14    -.110    4980.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+NNH+O2<=>HO2+N2                          5.000E+12     .000        .00
+NNH+O<=>OH+N2                            2.500E+13     .000        .00
+NNH+O<=>NH+NO                            7.000E+13     .000        .00
+NNH+H<=>H2+N2                            5.000E+13     .000        .00
+NNH+OH<=>H2O+N2                          2.000E+13     .000        .00
+NNH+CH3<=>CH4+N2                         2.500E+13     .000        .00
+H+NO+M<=>HNO+M                           4.480E+19   -1.320     740.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+HNO+O<=>NO+OH                            2.500E+13     .000        .00
+HNO+H<=>H2+NO                            9.000E+11     .720     660.00
+HNO+OH<=>NO+H2O                          1.300E+07    1.900    -950.00
+HNO+O2<=>HO2+NO                          1.000E+13     .000   13000.00
+CN+O<=>CO+N                              7.700E+13     .000        .00
+CN+OH<=>NCO+H                            4.000E+13     .000        .00
+CN+H2O<=>HCN+OH                          8.000E+12     .000    7460.00
+CN+O2<=>NCO+O                            6.140E+12     .000    -440.00
+CN+H2<=>HCN+H                            2.950E+05    2.450    2240.00
+NCO+O<=>NO+CO                            2.350E+13     .000        .00
+NCO+H<=>NH+CO                            5.400E+13     .000        .00
+NCO+OH<=>NO+H+CO                         0.250E+13     .000        .00
+NCO+N<=>N2+CO                            2.000E+13     .000        .00
+NCO+O2<=>NO+CO2                          2.000E+12     .000   20000.00
+NCO+M<=>N+CO+M                           3.100E+14     .000   54050.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+NCO+NO<=>N2O+CO                          1.900E+17   -1.520     740.00
+NCO+NO<=>N2+CO2                          3.800E+18   -2.000     800.00
+HCN+M<=>H+CN+M                           1.040E+29   -3.300  126600.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+HCN+O<=>NCO+H                            2.030E+04    2.640    4980.00
+HCN+O<=>NH+CO                            5.070E+03    2.640    4980.00
+HCN+O<=>CN+OH                            3.910E+09    1.580   26600.00
+HCN+OH<=>HOCN+H                          1.100E+06    2.030   13370.00
+HCN+OH<=>HNCO+H                          4.400E+03    2.260    6400.00
+HCN+OH<=>NH2+CO                          1.600E+02    2.560    9000.00
+H+HCN(+M)<=>H2CN(+M)                     3.300E+13     .000        .00
+      LOW /  1.400E+26   -3.400    1900.00/
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H2CN+N<=>N2+CH2                          6.000E+13     .000     400.00
+C+N2<=>CN+N                              6.300E+13     .000   46020.00
+CH+N2<=>HCN+N                            3.120E+09    0.880   20130.00
+CH+N2(+M)<=>HCNN(+M)                     3.100E+12     .150        .00
+     LOW  /  1.300E+25   -3.160    740.00/
+     TROE/   .6670  235.00  2117.00  4536.00 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ 1.0/ 
+CH2+N2<=>HCN+NH                          1.000E+13     .000   74000.00
+CH2(S)+N2<=>NH+HCN                       1.000E+11     .000   65000.00
+C+NO<=>CN+O                              1.900E+13     .000        .00
+C+NO<=>CO+N                              2.900E+13     .000        .00
+CH+NO<=>HCN+O                            4.100E+13     .000        .00
+CH+NO<=>H+NCO                            1.620E+13     .000        .00
+CH+NO<=>N+HCO                            2.460E+13     .000        .00
+CH2+NO<=>H+HNCO                          3.100E+17   -1.380    1270.00
+CH2+NO<=>OH+HCN                          2.900E+14    -.690     760.00
+CH2+NO<=>H+HCNO                          3.800E+13    -.360     580.00
+CH2(S)+NO<=>H+HNCO                       3.100E+17   -1.380    1270.00
+CH2(S)+NO<=>OH+HCN                       2.900E+14    -.690     760.00
+CH2(S)+NO<=>H+HCNO                       3.800E+13    -.360     580.00
+CH3+NO<=>HCN+H2O                         9.600E+13     .000   28800.00
+CH3+NO<=>H2CN+OH                         1.000E+12     .000   21750.00
+HCNN+O<=>CO+H+N2                         2.200E+13     .000        .00
+HCNN+O<=>HCN+NO                          2.000E+12     .000        .00
+HCNN+O2<=>O+HCO+N2                       1.200E+13     .000        .00
+HCNN+OH<=>H+HCO+N2                       1.200E+13     .000        .00
+HCNN+H<=>CH2+N2                          1.000E+14     .000        .00
+HNCO+O<=>NH+CO2                          9.800E+07    1.410    8500.00
+HNCO+O<=>HNO+CO                          1.500E+08    1.570   44000.00
+HNCO+O<=>NCO+OH                          2.200E+06    2.110   11400.00
+HNCO+H<=>NH2+CO                          2.250E+07    1.700    3800.00
+HNCO+H<=>H2+NCO                          1.050E+05    2.500   13300.00
+HNCO+OH<=>NCO+H2O                        3.300E+07    1.500    3600.00
+HNCO+OH<=>NH2+CO2                        3.300E+06    1.500    3600.00
+HNCO+M<=>NH+CO+M                         1.180E+16     .000   84720.00
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+HCNO+H<=>H+HNCO                          2.100E+15    -.690    2850.00
+HCNO+H<=>OH+HCN                          2.700E+11     .180    2120.00
+HCNO+H<=>NH2+CO                          1.700E+14    -.750    2890.00
+HOCN+H<=>H+HNCO                          2.000E+07    2.000    2000.00
+HCCO+NO<=>HCNO+CO                        0.900E+13     .000        .00
+CH3+N<=>H2CN+H                           6.100E+14    -.310     290.00
+CH3+N<=>HCN+H2                           3.700E+12     .150     -90.00
+NH3+H<=>NH2+H2                           5.400E+05    2.400    9915.00
+NH3+OH<=>NH2+H2O                         5.000E+07    1.600     955.00
+NH3+O<=>NH2+OH                           9.400E+06    1.940    6460.00
+NH+CO2<=>HNO+CO                          1.000E+13     .000   14350.00
+CN+NO2<=>NCO+NO                          6.160E+15   -0.752     345.00
+NCO+NO2<=>N2O+CO2                        3.250E+12     .000    -705.00
+N+CO2<=>NO+CO                            3.000E+12     .000   11300.00
+O+CH3=>H+H2+CO                           3.370E+13     .000        .00
+O+C2H4<=>H+CH2CHO                        6.700E+06    1.830     220.00
+O+C2H5<=>H+CH3CHO                        1.096E+14     .000        .00
+OH+HO2<=>O2+H2O                          0.500E+16     .000   17330.00
+  DUPLICATE
+OH+CH3=>H2+CH2O                          8.000E+09     .500   -1755.00
+CH+H2(+M)<=>CH3(+M)                      1.970E+12     .430    -370.00
+   LOW/ 4.820E+25  -2.80  590.0 /
+   TROE/ .578  122.0  2535.0  9365.0 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+CH2+O2=>2H+CO2                           5.800E+12     .000    1500.00
+CH2+O2<=>O+CH2O                          2.400E+12     .000    1500.00
+CH2+CH2=>2H+C2H2                         2.000E+14     .000   10989.00
+CH2(S)+H2O=>H2+CH2O                      6.820E+10     .250    -935.00
+C2H3+O2<=>O+CH2CHO                       3.030E+11     .290      11.00
+C2H3+O2<=>HO2+C2H2                       1.337E+06    1.610    -384.00
+O+CH3CHO<=>OH+CH2CHO                     2.920E+12     .000    1808.00
+O+CH3CHO=>OH+CH3+CO                      2.920E+12     .000    1808.00
+O2+CH3CHO=>HO2+CH3+CO                    3.010E+13     .000   39150.00
+H+CH3CHO<=>CH2CHO+H2                     2.050E+09    1.160    2405.00
+H+CH3CHO=>CH3+H2+CO                      2.050E+09    1.160    2405.00
+OH+CH3CHO=>CH3+H2O+CO                    2.343E+10    0.730   -1113.00
+HO2+CH3CHO=>CH3+H2O2+CO                  3.010E+12     .000   11923.00
+CH3+CH3CHO=>CH3+CH4+CO                   2.720E+06    1.770    5920.00
+H+CH2CO(+M)<=>CH2CHO(+M)                 4.865E+11    0.422   -1755.00
+    LOW/ 1.012E+42  -7.63  3854.0/
+    TROE/ 0.465  201.0  1773.0  5333.0 /
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+O+CH2CHO=>H+CH2+CO2                      1.500E+14     .000       .00
+O2+CH2CHO=>OH+CO+CH2O                    1.810E+10     .000       .00
+O2+CH2CHO=>OH+2HCO                       2.350E+10     .000       .00
+H+CH2CHO<=>CH3+HCO                       2.200E+13     .000       .00
+H+CH2CHO<=>CH2CO+H2                      1.100E+13     .000       .00
+OH+CH2CHO<=>H2O+CH2CO                    1.200E+13     .000       .00
+OH+CH2CHO<=>HCO+CH2OH                    3.010E+13     .000       .00
+CH3+C2H5(+M)<=>C3H8(+M)                  .9430E+13     .000       .00
+     LOW/ 2.710E+74  -16.82  13065.0 /
+     TROE/ .1527  291.0  2742.0  7748.0 / 
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+O+C3H8<=>OH+C3H7                         1.930E+05    2.680   3716.00
+H+C3H8<=>C3H7+H2                         1.320E+06    2.540   6756.00
+OH+C3H8<=>C3H7+H2O                       3.160E+07    1.800    934.00
+C3H7+H2O2<=>HO2+C3H8                     3.780E+02    2.720   1500.00
+CH3+C3H8<=>C3H7+CH4                      0.903E+00    3.650   7154.00
+CH3+C2H4(+M)<=>C3H7(+M)                  2.550E+06    1.600   5700.00
+      LOW/ 3.00E+63  -14.6  18170./
+      TROE/ .1894  277.0  8748.0  7891.0 / 
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+O+C3H7<=>C2H5+CH2O                       9.640E+13     .000       .00
+H+C3H7(+M)<=>C3H8(+M)                    3.613E+13     .000       .00
+      LOW/ 4.420E+61  -13.545  11357.0/
+      TROE/ .315  369.0  3285.0  6667.0 / 
+H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/ 
+H+C3H7<=>CH3+C2H5                        4.060E+06    2.190    890.00
+OH+C3H7<=>C2H5+CH2OH                     2.410E+13     .000       .00
+HO2+C3H7<=>O2+C3H8                       2.550E+10    0.255   -943.00
+HO2+C3H7=>OH+C2H5+CH2O                   2.410E+13     .000       .00
+CH3+C3H7<=>2C2H5                         1.927E+13   -0.320       .00
+END

testApp/onedim/constant/GRI30/insertTranlib.py

@@ -0,0 +1,31 @@
+import os
+import sys
+import argparse
+
+
+parser = argparse.ArgumentParser(description='Optional app description')
+
+# Switch
+parser.add_argument('--overwrite', action='store_true',
+                            help='write to transport file')
+
+args = parser.parse_args()
+
+print args.overwrite
+
+
+foamTranFile = "transport30.foam"
+
+with open("transport.dat") as tranlibFile:
+    for line in tranlibFile:
+        name = line[:19].strip(" ")
+        params = "( {} );".format(line[19:70])
+        checkCmd = 'foamDictionary -entry "{}" ' + foamTranFile + ' &> /dev/null'
+        dictCmd = 'foamDictionary -entry "{}.transport.tranlib" -set "{}" ' + foamTranFile + ' &> /dev/null'
+        if os.system(checkCmd.format(name)) == 0:
+            res = os.system(dictCmd.format(name, params))
+            if res != 0:
+                print "Error! processing ", name
+                exit(-1)
+
+

testApp/onedim/constant/GRI30/thermo30.dat

@@ -0,0 +1,222 @@
+THERMO ALL
+   300.000  1000.000  5000.000
+! GRI-Mech Version 3.0 Thermodynamics released 7/30/99
+! NASA Polynomial format for CHEMKIN-II
+! see README file for disclaimer
+O                 L 1/90O   1               G   200.000  3500.000  1000.000    1
+ 2.56942078E+00-8.59741137E-05 4.19484589E-08-1.00177799E-11 1.22833691E-15    2
+ 2.92175791E+04 4.78433864E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06    3
+-6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00                   4
+O2                TPIS89O   2               G   200.000  3500.000  1000.000    1
+ 3.28253784E+00 1.48308754E-03-7.57966669E-07 2.09470555E-10-2.16717794E-14    2
+-1.08845772E+03 5.45323129E+00 3.78245636E+00-2.99673416E-03 9.84730201E-06    3
+-9.68129509E-09 3.24372837E-12-1.06394356E+03 3.65767573E+00                   4
+H                 L 7/88H   1               G   200.000  3500.000  1000.000    1
+ 2.50000001E+00-2.30842973E-11 1.61561948E-14-4.73515235E-18 4.98197357E-22    2
+ 2.54736599E+04-4.46682914E-01 2.50000000E+00 7.05332819E-13-1.99591964E-15    3
+ 2.30081632E-18-9.27732332E-22 2.54736599E+04-4.46682853E-01                   4
+H2                TPIS78H   2               G   200.000  3500.000  1000.000    1
+ 3.33727920E+00-4.94024731E-05 4.99456778E-07-1.79566394E-10 2.00255376E-14    2
+-9.50158922E+02-3.20502331E+00 2.34433112E+00 7.98052075E-03-1.94781510E-05    3
+ 2.01572094E-08-7.37611761E-12-9.17935173E+02 6.83010238E-01                   4
+OH                RUS 78O   1H   1          G   200.000  3500.000  1000.000    1
+ 3.09288767E+00 5.48429716E-04 1.26505228E-07-8.79461556E-11 1.17412376E-14    2
+ 3.85865700E+03 4.47669610E+00 3.99201543E+00-2.40131752E-03 4.61793841E-06    3
+-3.88113333E-09 1.36411470E-12 3.61508056E+03-1.03925458E-01                   4
+H2O               L 8/89H   2O   1          G   200.000  3500.000  1000.000    1
+ 3.03399249E+00 2.17691804E-03-1.64072518E-07-9.70419870E-11 1.68200992E-14    2
+-3.00042971E+04 4.96677010E+00 4.19864056E+00-2.03643410E-03 6.52040211E-06    3
+-5.48797062E-09 1.77197817E-12-3.02937267E+04-8.49032208E-01                   4
+HO2               L 5/89H   1O   2          G   200.000  3500.000  1000.000    1
+ 4.01721090E+00 2.23982013E-03-6.33658150E-07 1.14246370E-10-1.07908535E-14    2
+ 1.11856713E+02 3.78510215E+00 4.30179801E+00-4.74912051E-03 2.11582891E-05    3
+-2.42763894E-08 9.29225124E-12 2.94808040E+02 3.71666245E+00                   4
+H2O2              L 7/88H   2O   2          G   200.000  3500.000  1000.000    1
+ 4.16500285E+00 4.90831694E-03-1.90139225E-06 3.71185986E-10-2.87908305E-14    2
+-1.78617877E+04 2.91615662E+00 4.27611269E+00-5.42822417E-04 1.67335701E-05    3
+-2.15770813E-08 8.62454363E-12-1.77025821E+04 3.43505074E+00                   4
+C                 L11/88C   1               G   200.000  3500.000  1000.000    1
+ 2.49266888E+00 4.79889284E-05-7.24335020E-08 3.74291029E-11-4.87277893E-15    2
+ 8.54512953E+04 4.80150373E+00 2.55423955E+00-3.21537724E-04 7.33792245E-07    3
+-7.32234889E-10 2.66521446E-13 8.54438832E+04 4.53130848E+00                   4
+CH                TPIS79C   1H   1          G   200.000  3500.000  1000.000    1
+ 2.87846473E+00 9.70913681E-04 1.44445655E-07-1.30687849E-10 1.76079383E-14    2
+ 7.10124364E+04 5.48497999E+00 3.48981665E+00 3.23835541E-04-1.68899065E-06    3
+ 3.16217327E-09-1.40609067E-12 7.07972934E+04 2.08401108E+00                   4
+CH2               L S/93C   1H   2          G   200.000  3500.000  1000.000    1
+ 2.87410113E+00 3.65639292E-03-1.40894597E-06 2.60179549E-10-1.87727567E-14    2
+ 4.62636040E+04 6.17119324E+00 3.76267867E+00 9.68872143E-04 2.79489841E-06    3
+-3.85091153E-09 1.68741719E-12 4.60040401E+04 1.56253185E+00                   4
+CH2(S)            L S/93C   1H   2          G   200.000  3500.000  1000.000    1
+ 2.29203842E+00 4.65588637E-03-2.01191947E-06 4.17906000E-10-3.39716365E-14    2
+ 5.09259997E+04 8.62650169E+00 4.19860411E+00-2.36661419E-03 8.23296220E-06    3
+-6.68815981E-09 1.94314737E-12 5.04968163E+04-7.69118967E-01                   4
+CH3               L11/89C   1H   3          G   200.000  3500.000  1000.000    1
+ 2.28571772E+00 7.23990037E-03-2.98714348E-06 5.95684644E-10-4.67154394E-14    2
+ 1.67755843E+04 8.48007179E+00 3.67359040E+00 2.01095175E-03 5.73021856E-06    3
+-6.87117425E-09 2.54385734E-12 1.64449988E+04 1.60456433E+00                   4
+CH4               L 8/88C   1H   4          G   200.000  3500.000  1000.000    1
+ 7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13    2
+-9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05    3
+-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00                   4
+CO                TPIS79C   1O   1          G   200.000  3500.000  1000.000    1
+ 2.71518561E+00 2.06252743E-03-9.98825771E-07 2.30053008E-10-2.03647716E-14    2
+-1.41518724E+04 7.81868772E+00 3.57953347E+00-6.10353680E-04 1.01681433E-06    3
+ 9.07005884E-10-9.04424499E-13-1.43440860E+04 3.50840928E+00                   4
+CO2               L 7/88C   1O   2          G   200.000  3500.000  1000.000    1
+ 3.85746029E+00 4.41437026E-03-2.21481404E-06 5.23490188E-10-4.72084164E-14    2
+-4.87591660E+04 2.27163806E+00 2.35677352E+00 8.98459677E-03-7.12356269E-06    3
+ 2.45919022E-09-1.43699548E-13-4.83719697E+04 9.90105222E+00                   4
+HCO               L12/89H   1C   1O   1     G   200.000  3500.000  1000.000    1
+ 2.77217438E+00 4.95695526E-03-2.48445613E-06 5.89161778E-10-5.33508711E-14    2
+ 4.01191815E+03 9.79834492E+00 4.22118584E+00-3.24392532E-03 1.37799446E-05    3
+-1.33144093E-08 4.33768865E-12 3.83956496E+03 3.39437243E+00                   4
+CH2O              L 8/88H   2C   1O   1     G   200.000  3500.000  1000.000    1
+ 1.76069008E+00 9.20000082E-03-4.42258813E-06 1.00641212E-09-8.83855640E-14    2
+-1.39958323E+04 1.36563230E+01 4.79372315E+00-9.90833369E-03 3.73220008E-05    3
+-3.79285261E-08 1.31772652E-11-1.43089567E+04 6.02812900E-01                   4
+CH2OH             GUNL93C   1H   3O   1     G   200.000  3500.000  1000.000    1
+ 3.69266569E+00 8.64576797E-03-3.75101120E-06 7.87234636E-10-6.48554201E-14    2
+-3.24250627E+03 5.81043215E+00 3.86388918E+00 5.59672304E-03 5.93271791E-06    3
+-1.04532012E-08 4.36967278E-12-3.19391367E+03 5.47302243E+00                   4
+CH3O              121686C   1H   3O   1     G   300.00   3000.00   1000.000    1
+ 0.03770799E+02 0.07871497E-01-0.02656384E-04 0.03944431E-08-0.02112616E-12    2
+ 0.12783252E+03 0.02929575E+02 0.02106204E+02 0.07216595E-01 0.05338472E-04    3
+-0.07377636E-07 0.02075610E-10 0.09786011E+04 0.13152177E+02                   4
+CH3OH             L 8/88C   1H   4O   1     G   200.000  3500.000  1000.000    1
+ 1.78970791E+00 1.40938292E-02-6.36500835E-06 1.38171085E-09-1.17060220E-13    2
+-2.53748747E+04 1.45023623E+01 5.71539582E+00-1.52309129E-02 6.52441155E-05    3
+-7.10806889E-08 2.61352698E-11-2.56427656E+04-1.50409823E+00                   4
+C2H               L 1/91C   2H   1          G   200.000  3500.000  1000.000    1
+ 3.16780652E+00 4.75221902E-03-1.83787077E-06 3.04190252E-10-1.77232770E-14    2
+ 6.71210650E+04 6.63589475E+00 2.88965733E+00 1.34099611E-02-2.84769501E-05    3
+ 2.94791045E-08-1.09331511E-11 6.68393932E+04 6.22296438E+00                   4
+C2H2              L 1/91C   2H   2          G   200.000  3500.000  1000.000    1
+ 4.14756964E+00 5.96166664E-03-2.37294852E-06 4.67412171E-10-3.61235213E-14    2
+ 2.59359992E+04-1.23028121E+00 8.08681094E-01 2.33615629E-02-3.55171815E-05    3
+ 2.80152437E-08-8.50072974E-12 2.64289807E+04 1.39397051E+01                   4
+C2H3              L 2/92C   2H   3          G   200.000  3500.000  1000.000    1
+ 3.01672400E+00 1.03302292E-02-4.68082349E-06 1.01763288E-09-8.62607041E-14    2
+ 3.46128739E+04 7.78732378E+00 3.21246645E+00 1.51479162E-03 2.59209412E-05    3
+-3.57657847E-08 1.47150873E-11 3.48598468E+04 8.51054025E+00                   4
+C2H4              L 1/91C   2H   4          G   200.000  3500.000  1000.000    1
+ 2.03611116E+00 1.46454151E-02-6.71077915E-06 1.47222923E-09-1.25706061E-13    2
+ 4.93988614E+03 1.03053693E+01 3.95920148E+00-7.57052247E-03 5.70990292E-05    3
+-6.91588753E-08 2.69884373E-11 5.08977593E+03 4.09733096E+00                   4
+C2H5              L12/92C   2H   5          G   200.000  3500.000  1000.000    1
+ 1.95465642E+00 1.73972722E-02-7.98206668E-06 1.75217689E-09-1.49641576E-13    2
+ 1.28575200E+04 1.34624343E+01 4.30646568E+00-4.18658892E-03 4.97142807E-05    3
+-5.99126606E-08 2.30509004E-11 1.28416265E+04 4.70720924E+00                   4
+C2H6              L 8/88C   2H   6          G   200.000  3500.000  1000.000    1
+ 1.07188150E+00 2.16852677E-02-1.00256067E-05 2.21412001E-09-1.90002890E-13    2
+-1.14263932E+04 1.51156107E+01 4.29142492E+00-5.50154270E-03 5.99438288E-05    3
+-7.08466285E-08 2.68685771E-11-1.15222055E+04 2.66682316E+00                   4
+CH2CO             L 5/90C   2H   2O   1     G   200.000  3500.000  1000.000    1
+ 4.51129732E+00 9.00359745E-03-4.16939635E-06 9.23345882E-10-7.94838201E-14    2
+-7.55105311E+03 6.32247205E-01 2.13583630E+00 1.81188721E-02-1.73947474E-05    3
+ 9.34397568E-09-2.01457615E-12-7.04291804E+03 1.22156480E+01                   4
+HCCO              SRIC91H   1C   2O   1     G   300.00   4000.00   1000.000    1
+ 0.56282058E+01 0.40853401E-02-0.15934547E-05 0.28626052E-09-0.19407832E-13    2
+ 0.19327215E+05-0.39302595E+01 0.22517214E+01 0.17655021E-01-0.23729101E-04    3
+ 0.17275759E-07-0.50664811E-11 0.20059449E+05 0.12490417E+02                   4
+HCCOH              SRI91C   2O   1H   2     G   300.000  5000.000  1000.000    1
+ 0.59238291E+01 0.67923600E-02-0.25658564E-05 0.44987841E-09-0.29940101E-13    2
+ 0.72646260E+04-0.76017742E+01 0.12423733E+01 0.31072201E-01-0.50866864E-04    3
+ 0.43137131E-07-0.14014594E-10 0.80316143E+04 0.13874319E+02                   4
+H2CN               41687H   2C   1N   1     G   300.00   4000.000  1000.000    1
+ 0.52097030E+01 0.29692911E-02-0.28555891E-06-0.16355500E-09 0.30432589E-13    2
+ 0.27677109E+05-0.44444780E+01 0.28516610E+01 0.56952331E-02 0.10711400E-05    3
+-0.16226120E-08-0.23511081E-12 0.28637820E+05 0.89927511E+01                   4
+HCN               GRI/98H   1C   1N   1     G   200.000  6000.000  1000.000    1
+ 0.38022392E+01 0.31464228E-02-0.10632185E-05 0.16619757E-09-0.97997570E-14    2
+ 0.14407292E+05 0.15754601E+01 0.22589886E+01 0.10051170E-01-0.13351763E-04    3
+ 0.10092349E-07-0.30089028E-11 0.14712633E+05 0.89164419E+01                   4
+HNO               And93 H   1N   1O   1     G   200.000  6000.000  1000.000    1
+ 0.29792509E+01 0.34944059E-02-0.78549778E-06 0.57479594E-10-0.19335916E-15    2
+ 0.11750582E+05 0.86063728E+01 0.45334916E+01-0.56696171E-02 0.18473207E-04    3
+-0.17137094E-07 0.55454573E-11 0.11548297E+05 0.17498417E+01                   4
+N                 L 6/88N   1               G   200.000  6000.000  1000.000    1
+ 0.24159429E+01 0.17489065E-03-0.11902369E-06 0.30226245E-10-0.20360982E-14    2
+ 0.56133773E+05 0.46496096E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00    3
+ 0.00000000E+00 0.00000000E+00 0.56104637E+05 0.41939087E+01                   4
+NNH               T07/93N   2H   1          G   200.000  6000.000  1000.000    1
+ 0.37667544E+01 0.28915082E-02-0.10416620E-05 0.16842594E-09-0.10091896E-13    2
+ 0.28650697E+05 0.44705067E+01 0.43446927E+01-0.48497072E-02 0.20059459E-04    3
+-0.21726464E-07 0.79469539E-11 0.28791973E+05 0.29779410E+01                   4
+N2O               L 7/88N   2O   1          G   200.000  6000.000  1000.000    1
+ 0.48230729E+01 0.26270251E-02-0.95850874E-06 0.16000712E-09-0.97752303E-14    2
+ 0.80734048E+04-0.22017207E+01 0.22571502E+01 0.11304728E-01-0.13671319E-04    3
+ 0.96819806E-08-0.29307182E-11 0.87417744E+04 0.10757992E+02                   4
+NH                And94 N   1H   1          G   200.000  6000.000  1000.000    1
+ 0.27836928E+01 0.13298430E-02-0.42478047E-06 0.78348501E-10-0.55044470E-14    2
+ 0.42120848E+05 0.57407799E+01 0.34929085E+01 0.31179198E-03-0.14890484E-05    3
+ 0.24816442E-08-0.10356967E-11 0.41880629E+05 0.18483278E+01                   4
+NH2               And89 N   1H   2          G   200.000  6000.000  1000.000    1
+ 0.28347421E+01 0.32073082E-02-0.93390804E-06 0.13702953E-09-0.79206144E-14    2
+ 0.22171957E+05 0.65204163E+01 0.42040029E+01-0.21061385E-02 0.71068348E-05    3
+-0.56115197E-08 0.16440717E-11 0.21885910E+05-0.14184248E+00                   4
+NH3               J 6/77N   1H   3          G   200.000  6000.000  1000.000    1
+ 0.26344521E+01 0.56662560E-02-0.17278676E-05 0.23867161E-09-0.12578786E-13    2
+-0.65446958E+04 0.65662928E+01 0.42860274E+01-0.46605230E-02 0.21718513E-04    3
+-0.22808887E-07 0.82638046E-11-0.67417285E+04-0.62537277E+00                   4
+NO                RUS 78N   1O   1          G   200.000  6000.000  1000.000    1
+ 0.32606056E+01 0.11911043E-02-0.42917048E-06 0.69457669E-10-0.40336099E-14    2
+ 0.99209746E+04 0.63693027E+01 0.42184763E+01-0.46389760E-02 0.11041022E-04    3
+-0.93361354E-08 0.28035770E-11 0.98446230E+04 0.22808464E+01                   4
+NO2               L 7/88N   1O   2          G   200.000  6000.000  1000.000    1
+ 0.48847542E+01 0.21723956E-02-0.82806906E-06 0.15747510E-09-0.10510895E-13    2
+ 0.23164983E+04-0.11741695E+00 0.39440312E+01-0.15854290E-02 0.16657812E-04    3
+-0.20475426E-07 0.78350564E-11 0.28966179E+04 0.63119917E+01                   4
+HCNO              BDEA94H   1N   1C   1O   1G   300.000  5000.000  1382.000    1
+ 6.59860456E+00 3.02778626E-03-1.07704346E-06 1.71666528E-10-1.01439391E-14    2
+ 1.79661339E+04-1.03306599E+01 2.64727989E+00 1.27505342E-02-1.04794236E-05    3
+ 4.41432836E-09-7.57521466E-13 1.92990252E+04 1.07332972E+01                   4
+HOCN              BDEA94H   1N   1C   1O   1G   300.000  5000.000  1368.000    1
+ 5.89784885E+00 3.16789393E-03-1.11801064E-06 1.77243144E-10-1.04339177E-14    2
+-3.70653331E+03-6.18167825E+00 3.78604952E+00 6.88667922E-03-3.21487864E-06    3
+ 5.17195767E-10 1.19360788E-14-2.82698400E+03 5.63292162E+00                   4
+HNCO              BDEA94H   1N   1C   1O   1G   300.000  5000.000  1478.000    1
+ 6.22395134E+00 3.17864004E-03-1.09378755E-06 1.70735163E-10-9.95021955E-15    2
+-1.66599344E+04-8.38224741E+00 3.63096317E+00 7.30282357E-03-2.28050003E-06    3
+-6.61271298E-10 3.62235752E-13-1.55873636E+04 6.19457727E+00                   4
+NCO               EA 93 N   1C   1O   1     G   200.000  6000.000  1000.000    1
+ 0.51521845E+01 0.23051761E-02-0.88033153E-06 0.14789098E-09-0.90977996E-14    2
+ 0.14004123E+05-0.25442660E+01 0.28269308E+01 0.88051688E-02-0.83866134E-05    3
+ 0.48016964E-08-0.13313595E-11 0.14682477E+05 0.95504646E+01                   4
+CN                HBH92 C   1N   1          G   200.000  6000.000  1000.000    1
+ 0.37459805E+01 0.43450775E-04 0.29705984E-06-0.68651806E-10 0.44134173E-14    2
+ 0.51536188E+05 0.27867601E+01 0.36129351E+01-0.95551327E-03 0.21442977E-05    3
+-0.31516323E-09-0.46430356E-12 0.51708340E+05 0.39804995E+01                   4
+HCNN              SRI/94C   1N   2H   1     G   300.000  5000.000  1000.000    1
+ 0.58946362E+01 0.39895959E-02-0.15982380E-05 0.29249395E-09-0.20094686E-13    2
+ 0.53452941E+05-0.51030502E+01 0.25243194E+01 0.15960619E-01-0.18816354E-04    3
+ 0.12125540E-07-0.32357378E-11 0.54261984E+05 0.11675870E+02                   4
+N2                121286N   2               G   300.000  5000.000  1000.000    1
+ 0.02926640E+02 0.14879768E-02-0.05684760E-05 0.10097038E-09-0.06753351E-13    2
+-0.09227977E+04 0.05980528E+02 0.03298677E+02 0.14082404E-02-0.03963222E-04    3
+ 0.05641515E-07-0.02444854E-10-0.10208999E+04 0.03950372E+02                   4
+AR                120186AR  1               G   300.000  5000.000  1000.000    1
+ 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00    2
+-0.07453750E+04 0.04366000E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00    3
+ 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.04366000E+02                   4
+C3H8              L 4/85C   3H   8          G   300.000  5000.000  1000.000    1
+ 0.75341368E+01 0.18872239E-01-0.62718491E-05 0.91475649E-09-0.47838069E-13    2
+-0.16467516E+05-0.17892349E+02 0.93355381E+00 0.26424579E-01 0.61059727E-05    3
+-0.21977499E-07 0.95149253E-11-0.13958520E+05 0.19201691E+02                   4
+C3H7              L 9/84C   3H   7          G   300.000  5000.000  1000.000    1
+ 0.77026987E+01 0.16044203E-01-0.52833220E-05 0.76298590E-09-0.39392284E-13    2
+ 0.82984336E+04-0.15480180E+02 0.10515518E+01 0.25991980E-01 0.23800540E-05    3
+-0.19609569E-07 0.93732470E-11 0.10631863E+05 0.21122559E+02                   4
+CH3CHO            L 8/88C   2H   4O   1     G   200.000  6000.000  1000.000    1
+ 0.54041108E+01 0.11723059E-01-0.42263137E-05 0.68372451E-09-0.40984863E-13    2
+-0.22593122E+05-0.34807917E+01 0.47294595E+01-0.31932858E-02 0.47534921E-04    3
+-0.57458611E-07 0.21931112E-10-0.21572878E+05 0.41030159E+01                   4
+CH2CHO            SAND86O   1H   3C   2     G   300.000  5000.000  1000.000    1
+ 0.05975670E+02 0.08130591E-01-0.02743624E-04 0.04070304E-08-0.02176017E-12    2
+ 0.04903218E+04-0.05045251E+02 0.03409062E+02 0.10738574E-01 0.01891492E-04    3
+-0.07158583E-07 0.02867385E-10 0.15214766E+04 0.09558290E+02                   4
+END
+
+
+
+

testApp/onedim/constant/GRI30/transport.dat

@@ -0,0 +1,110 @@
+AR                 0   136.500     3.330     0.000     0.000     0.000
+C                  0    71.400     3.298     0.000     0.000     0.000 ! *
+C2                 1    97.530     3.621     0.000     1.760     4.000
+C2O                1   232.400     3.828     0.000     0.000     1.000 ! *
+CN2                1   232.400     3.828     0.000     0.000     1.000 ! OIS
+C2H                1   209.000     4.100     0.000     0.000     2.500
+C2H2               1   209.000     4.100     0.000     0.000     2.500
+C2H2OH             2   224.700     4.162     0.000     0.000     1.000 ! *
+C2H3               2   209.000     4.100     0.000     0.000     1.000 ! *
+C2H4               2   280.800     3.971     0.000     0.000     1.500
+C2H5               2   252.300     4.302     0.000     0.000     1.500
+C2H6               2   252.300     4.302     0.000     0.000     1.500
+C2N                1   232.400     3.828     0.000     0.000     1.000 ! OIS
+C2N2               1   349.000     4.361     0.000     0.000     1.000 ! OIS
+C3H2               2   209.000     4.100     0.000     0.000     1.000 ! *
+C3H4               1   252.000     4.760     0.000     0.000     1.000
+C3H6               2   266.800     4.982     0.000     0.000     1.000
+C3H7               2   266.800     4.982     0.000     0.000     1.000
+C4H6               2   357.000     5.180     0.000     0.000     1.000
+I*C3H7             2   266.800     4.982     0.000     0.000     1.000
+N*C3H7             2   266.800     4.982     0.000     0.000     1.000
+C3H8               2   266.800     4.982     0.000     0.000     1.000
+C4H                1   357.000     5.180     0.000     0.000     1.000
+C4H2               1   357.000     5.180     0.000     0.000     1.000
+C4H2OH             2   224.700     4.162     0.000     0.000     1.000 ! *
+C4H8               2   357.000     5.176     0.000     0.000     1.000
+C4H9               2   357.000     5.176     0.000     0.000     1.000
+I*C4H9             2   357.000     5.176     0.000     0.000     1.000
+C5H2               1   357.000     5.180     0.000     0.000     1.000
+C5H3               1   357.000     5.180     0.000     0.000     1.000
+C6H2               1   357.000     5.180     0.000     0.000     1.000
+C6H5               2   412.300     5.349     0.000     0.000     1.000 ! JAM
+C6H5O              2   450.000     5.500     0.000     0.000     1.000 ! JAM
+C5H5OH             2   450.000     5.500     0.000     0.000     1.000 ! JAM
+C6H6               2   412.300     5.349     0.000     0.000     1.000 ! SVE
+C6H7               2   412.300     5.349     0.000     0.000     1.000 ! JAM
+CH                 1    80.000     2.750     0.000     0.000     0.000
+CH2                1   144.000     3.800     0.000     0.000     0.000
+CH2(S)             1   144.000     3.800     0.000     0.000     0.000
+CH2*               1   144.000     3.800     0.000     0.000     0.000
+CH2CHCCH           2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH2CHCCH2          2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH2CHCH2           2   260.000     4.850     0.000     0.000     1.000 ! JAM
+CH2CHCHCH          2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH2CHCHCH2         2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH2CO              2   436.000     3.970     0.000     0.000     2.000
+CH2O               2   498.000     3.590     0.000     0.000     2.000
+CH2OH              2   417.000     3.690     1.700     0.000     2.000
+CH3                1   144.000     3.800     0.000     0.000     0.000
+CH3CC              2   252.000     4.760     0.000     0.000     1.000 ! JAM
+CH3CCCH2           2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH3CCCH3           2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH3CCH2            2   260.000     4.850     0.000     0.000     1.000 ! JAM
+CH3CHCH            2   260.000     4.850     0.000     0.000     1.000 ! JAM
+CH3CH2CCH          2   357.000     5.180     0.000     0.000     1.000 ! JAM
+CH3CHO             2   436.000     3.970     0.000     0.000     2.000
+CH2CHO             2   436.000     3.970     0.000     0.000     2.000
+CH3CO              2   436.000     3.970     0.000     0.000     2.000
+CH3O               2   417.000     3.690     1.700     0.000     2.000
+CH3OH              2   481.800     3.626     0.000     0.000     1.000 ! SVE
+CH4                2   141.400     3.746     0.000     2.600    13.000
+CH4O               2   417.000     3.690     1.700     0.000     2.000
+CN                 1    75.000     3.856     0.000     0.000     1.000 ! OIS
+CNC                1   232.400     3.828     0.000     0.000     1.000 ! OIS
+CNN                1   232.400     3.828     0.000     0.000     1.000 ! OIS
+CO                 1    98.100     3.650     0.000     1.950     1.800
+CO2                1   244.000     3.763     0.000     2.650     2.100
+H                  0   145.000     2.050     0.000     0.000     0.000
+H2C4O              2   357.000     5.180     0.000     0.000     1.000 ! JAM
+H2                 1    38.000     2.920     0.000     0.790   280.000
+H2CCCCH            2   357.000     5.180     0.000     0.000     1.000 ! JAM
+H2CCCCH2           2   357.000     5.180     0.000     0.000     1.000 ! JAM
+H2CCCH             2   252.000     4.760     0.000     0.000     1.000 ! JAM
+H2CN               1   569.000     3.630     0.000     0.000     1.000 ! os/jm
+H2NO               2   116.700     3.492     0.000     0.000     1.000 ! JAM
+H2O                2   572.400     2.605     1.844     0.000     4.000
+H2O2               2   107.400     3.458     0.000     0.000     3.800
+HC2N2              1   349.000     4.361     0.000     0.000     1.000 ! OIS
+HCCHCCH            2   357.000     5.180     0.000     0.000     1.000 ! JAM
+HCCO               2   150.000     2.500     0.000     0.000     1.000 ! *
+HCNN               2   150.000     2.500     0.000     0.000     1.000 ! *
+HCCOH              2   436.000     3.970     0.000     0.000     2.000
+HCN                1   569.000     3.630     0.000     0.000     1.000 ! OIS
+HCO                2   498.000     3.590     0.000     0.000     0.000
+HE                 0    10.200     2.576     0.000     0.000     0.000 ! *
+HCNO               2   232.400     3.828     0.000     0.000     1.000 ! JAM
+HOCN               2   232.400     3.828     0.000     0.000     1.000 ! JAM
+HNCO               2   232.400     3.828     0.000     0.000     1.000 ! OIS
+HNNO               2   232.400     3.828     0.000     0.000     1.000 ! *
+HNO                2   116.700     3.492     0.000     0.000     1.000 ! *
+HNOH               2   116.700     3.492     0.000     0.000     1.000 ! JAM
+HO2                2   107.400     3.458     0.000     0.000     1.000 ! *
+N                  0    71.400     3.298     0.000     0.000     0.000 ! *
+N2                 1    97.530     3.621     0.000     1.760     4.000
+N2H2               2    71.400     3.798     0.000     0.000     1.000 ! *
+N2H3               2   200.000     3.900     0.000     0.000     1.000 ! *
+N2H4               2   205.000     4.230     0.000     4.260     1.500
+N2O                1   232.400     3.828     0.000     0.000     1.000 ! *
+NCN                1   232.400     3.828     0.000     0.000     1.000 ! OIS
+NCO                1   232.400     3.828     0.000     0.000     1.000 ! OIS
+NH                 1    80.000     2.650     0.000     0.000     4.000
+NH2                2    80.000     2.650     0.000     2.260     4.000
+NH3                2   481.000     2.920     1.470     0.000    10.000
+NNH                2    71.400     3.798     0.000     0.000     1.000 ! *
+NO                 1    97.530     3.621     0.000     1.760     4.000
+NCNO               2   232.400     3.828     0.000     0.000     1.000 ! OIS
+NO2                2   200.000     3.500     0.000     0.000     1.000 ! *
+O                  0    80.000     2.750     0.000     0.000     0.000
+O2                 1   107.400     3.458     0.000     1.600     3.800
+OH                 1    80.000     2.750     0.000     0.000     0.000

testApp/onedim/constant/chemistryProperties

@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  4.x                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      chemistryProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+chemistryType
+{
+    chemistrySolver   ode;
+    chemistryThermo   psi;
+}
+
+chemistry       on;
+
+initialChemicalTimeStep 1e-7;
+
+EulerImplicitCoeffs
+{
+    cTauChem        1;
+    equilibriumRateLimiter off;
+}
+
+odeCoeffs
+{
+    solver          seulex;
+    absTol          1e-12;
+    relTol          1e-1;
+}
+
+
+// ************************************************************************* //

testApp/onedim/constant/initialConditions

@@ -0,0 +1,35 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  4.x                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      initialConditions;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+constantProperty pressure;
+
+fractionBasis   mole;
+
+fractions
+{
+    CH4             0.5;
+    N2              3.76;
+    O2              1;
+}
+
+p               101325;
+
+T               300;
+
+Tl               300;
+
+// ************************************************************************* //

testApp/onedim/constant/thermophysicalProperties

@@ -0,0 +1,38 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  4.x                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      thermophysicalProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+thermoType
+{
+    type            hePsiThermo;
+    mixture         reactingMixture;
+    transport       sutherland;
+    thermo          janaf;
+    energy          sensibleEnthalpy;
+    equationOfState perfectGas;
+    specie          specie;
+}
+
+chemistryReader foamChemistryReader;
+
+foamChemistryFile "$FOAM_CASE/constant/GRI30/grimech30.foam";
+
+foamChemistryThermoFile "$FOAM_CASE/constant/GRI30/thermo30.foam";
+
+foamTransportFile "$FOAM_CASE/constant/GRI30/transport30.foam";
+
+
+// ************************************************************************* //

testApp/onedim/system/controlDict

@@ -0,0 +1,55 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  4.x                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      controlDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+application     chemFoam;
+
+startFrom       startTime;
+
+startTime       0;
+
+stopAt          endTime;
+
+endTime         0.07;
+
+deltaT          1e-05;
+
+maxDeltaT       1e-4;
+
+adjustTimeStep  on;
+
+writeControl    adjustableRunTime;
+
+writeInterval   0.01;
+
+purgeWrite      0;
+
+writeFormat     ascii;
+
+writeCompression uncompressed;
+
+timeFormat      general;
+
+timePrecision   6;
+
+runTimeModifiable yes;
+
+DebugSwitches
+{
+    SolverPerformance   0;
+}
+
+// ************************************************************************* //

testApp/onedim/system/fvSchemes

@@ -0,0 +1,32 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  4.x                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSchemes;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+ddtSchemes
+{
+    default         Euler;
+}
+
+gradSchemes
+{}
+
+divSchemes
+{}
+
+laplacianSchemes
+{}
+
+// ************************************************************************* //

testApp/onedim/system/fvSolution

@@ -0,0 +1,30 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  4.x                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSolution;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+solvers
+{
+    Yi
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-12;
+        relTol          0;
+    }
+}
+
+
+// ************************************************************************* //

testApp/readInitialConditions.H

@@ -14,6 +14,16 @@
             << fractionBasis << abort(FatalError);
     }
 
+    scalar Tl = readScalar(initialConditions.lookup("Tl"));
+    scalar Tu = initialConditions.lookupOrDefault<scalar>("Tu", Tl);
+    label Tn = initialConditions.lookupOrDefault<label>("Tn", 1);
+
+    Info 
+        << " Tl  = " << Tl << " [K]" << nl
+        << " Tu  = " << Tu << " [K] " << nl
+        << " Tn  = " << Tn << nl
+        << endl;
+
     label nSpecie = Y.size();
     PtrList<gasHThermoPhysics> specieData(Y.size());
     forAll(specieData, i)