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In [1]:



    


import pandas as pd



    











In [2]:



    


rxn = pd.read_csv('cti_rxn.txt', header = None)
AnE = pd.read_csv('complete_rateconstant_list.txt', header = None)
AnE_list = AnE.values.tolist()
rxn_list = rxn.values.tolist()



    











In [ ]:



    






    











In [3]:



    


rxn.head()



    


















    
Out[3]:










  
    

      
      0
    

  
  
    

      0
      PLIGH => PRLIGH
    

    

      1
      LIGH => C3H6 + OH + RLIGM2A
    

    

      2
      LIGM2 => RPHENOXM2 + RADIOM2
    

    

      3
      PLIGM2 => RPHENOXM2 + PRADIOM2
    

    

      4
      LIG => RPHENOX + RADIO
    

  




















In [4]:



    


df = pd.DataFrame()
temp_list = []
for i in range(406):
    AnE = AnE_list[i][0]
    rxn = rxn_list[i][0]
    content = "reaction" + '(' + "'" + rxn + "'" + ', ' + '[' + AnE + ']' + ')'
    temp_list.append(content)
        
    
df['rxn_list'] = temp_list
#df['AnE'] = AnE_list
temp_list



    


















    
Out[4]:








["reaction('PLIGH => PRLIGH', [1.00E+13 0 163254])",
 "reaction('LIGH => C3H6 + OH + RLIGM2A', [1.00E+13 0 163254])",
 "reaction('LIGM2 => RPHENOXM2 + RADIOM2', [1.00E+13 0 163254])",
 "reaction('PLIGM2 => RPHENOXM2 + PRADIOM2', [1.00E+13 0 163254])",
 "reaction('LIG => RPHENOX + RADIO', [1.00E+13 0 184184])",
 "reaction('PLIG => RPHENOX + PRADIO', [1.00E+13 0 188370])",
 "reaction('PADIOM2 => PRADIOM2', [1.00E+13 0 171626])",
 "reaction('PADIO => PRADIO', [1.00E+13 0 179998])",
 "reaction('PKETM2 => PRKETM2', [1.00E+13 0 167440])",
 "reaction('PRKETM2 => KETDM2 + OH', [1.00E+13 0 121394])",
 "reaction('RPHENOXM2 => CO + 0.5 C10H2M4 + 0.5 H2', [4.00E+10 0 209300])",
 "reaction('RPHENOX => CO + 0.5 C10H2 + 1.5 H2', [4.00E+10 0 209300])",
 "reaction('RLIGH => RLIGM2A + ALD3', [1.00E+13 0 133952])",
 "reaction('PRLIGH2 => PRLIGM2A + ALD3', [1.00E+13 0 133952])",
 "reaction('RADIOM2 => RMGUAI + C3H6O2', [1.00E+13 0 133952])",
 "reaction('RLIGM2A => KETM2 + RPHENOXM2', [5.00E+12 0 133952])",
 "reaction('PRLIGM2A => PKETM2 + RPHENOXM2', [5.00E+12 0 133952])",
 "reaction('RLIGM2B => RMGUAI + PFET3M2', [1.00E+13 0 163254])",
 "reaction('PRFET3M2 => RPHENOXM2 + C3H4O2', [1.00E+13 0 133952])",
 "reaction('RADIO => RPHENOL + C3H6O2', [1.00E+13 0 163254])",
 "reaction('RLIGA => KET + RPHENOX', [1.00E+13 0 138138])",
 "reaction('RLIGB => RPHENOL + PFET3', [1.00E+13 0 163254])",
 "reaction('PRFET3 => RPHENOX + C3H4O2', [1.00E+13 0 138138])",
 "reaction('RADIOM2 => OH + SYNAPYL', [3.00E+11 0 104650])",
 "reaction('RKETM2 => OH + KETDM2', [3.00E+11 0 104650])",
 "reaction('RADIO => OH + COUMARYL', [3.00E+11 0 104650])",
 "reaction('RKET => OH + KETD', [3.00E+11 0 113022])",
 "reaction('RC3H7O2 => RCH3O + CH3CHO', [1.00E+13 0 129766])",
 "reaction('C10H2M4 => RCH3O + 0.5 C10H2M4 + RPHENOX', [1.00E+13 0 196742])",
 "reaction('C10H2M2 => RCH3O + 0.5 C10H2 + RPHENOX', [1.00E+13 0 196742])",
 "reaction('PLIGC => PLIG + CH2CO', [1.00E+08 0 121394])",
 "reaction('PLIGO => PLIGM2 + CO2', [1.00E+09 0 108836])",
 "reaction('ADIOM2 + RPHENOXM2 => C10H2M4 + 0.5 H2 + PH2 + 2 PCOH + RC3H7O2', [1.00E+09 0 121394])",
 "reaction('KETM2 + RPHENOXM2 => C10H2M4 + 0.5 H2 + PH2 + 2 PCOH + RC3H5O2', [1.00E+09 0 121394])",
 "reaction('KETDM2 + RPHENOXM2 => C10H2M4 + 0.5 H2 + PH2 + 2 PCOH + RC3H3O', [1.00E+09 0 121394])",
 "reaction('SYNAPYL + RPHENOXM2 => C10H2M4 + H2 + 1.5 PH2 + 2 PCOH + RC3H3O', [1.00E+09 0 121394])",
 "reaction('ADIOM2 + RPHENOX => 0.5 C10H2M4 + 0.5 C10H2 1.5 H2 + PH2 + PCOS + PCOH + RC3H7O2', [1.00E+09 0 121394])",
 "reaction('KETM2 + RPHENOX => 0.5 C10H2M4 + 0.5 C10H2 + 0.5 H2 + 2 PH2 + 2 PCOS + RC3H5O2', [1.00E+09 0 121394])",
 "reaction('KETDM2 + RPHENOX => 0.5 C10H2M4 + 0.5 C10H2 + 0.5 H2 + 2 PH2 + PCOS + PCOH + RC3H3O', [1.00E+09 0 121394])",
 "reaction('SYNAPYL + RPHENOX => 0.5 C10H2 + 0.5 C10H2M4 + 1.5 H2 + 2 PH2 + PCOH + PCOS + RC3H3O', [1.00E+09 0 121394])",
 "reaction('ADIO + RPHENOX => C10H2 + 1.5 H2 + 2 PH2 + 2 PCOS + RC3H7O2', [1.00E+09 0 121394])",
 "reaction('KET + RPHENOX => C10H2 + 1.5 H2 + 2 PCOS + RC3H5O2 + 2 PH2', [1.00E+09 0 121394])",
 "reaction('KETD + RPHENOX => C10H2 + 1.5 H2 + 2 PCOS + RC3H3O + 2 PH2', [1.00E+09 0 121394])",
 "reaction('COUMARYL + RPHENOX => C10H2 + 2.5 H2 + 2 PCOS + RC3H3O + 2 PH2', [1.00E+09 0 121394])",
 "reaction('ADIO + RPHENOXM2 => 0.5 C10H2 + 0.5 C10H2M4 + 1.5 H2 + PH2 + PCOS + PCOH + RC3H7O2', [1.00E+09 0 121394])",
 "reaction('KET + RPHENOXM2 => 0.5 C10H2 + 0.5 C10H2M4 + 1.5 H2 + PH2 + PCOS + PCOH + RC3H5O2', [1.00E+09 0 121394])",
 "reaction('KETD + RPHENOXM2 => 0.5 C10H2 + 0.5 C10H2M4 + 1.5 H2 + PH2 + PCOS + PCOH + RC3H3O', [1.00E+09 0 121394])",
 "reaction('COUMARYL + RPHENOXM2 => 0.5 C10H2 + 0.5 C10H2M4 + 1.5 H2 + 2 PH2 + PCOS + PCOH + RC3H3O', [1.00E+09 0 121394])",
 "reaction('C10H2M4 + RPHENOXM2 => 0.5 C10H2M2 + C10H2M4 + RCH3O + 0.5 H2 + PCOH', [1.00E+09 0 115115])",
 "reaction('C10H2M2 + RPHENOXM2 => 0.5 C0H2M2 + 0.5 C10H2 + RCH3O + 0.5 C10H2M4 + 0.5 H2 + PCOH', [1.00E+09 0 115115])",
 "reaction('C10H2M4 + RPHENOX => 0.5 C10H2M2 + 0.5 C10H2M4 + RCH3O + 0.5 C10H2 + 1.5 H2 + PCOS', [1.00E+09 0 117208])",
 "reaction('C10H2M2 + RPHENOX => 0.5 C10H2M2 + RCH3O + C10H2 + 1.5 H2 + PCOS', [1.00E+09 0 117208])",
 "reaction('RCH3O + RPHENOX => RCH3 + CO2 + 0.5 C10H2 + 1.5 H2', [1.00E+08 0 54418])",
 "reaction('RCH3O + RPHENOXM2 => RCH3 + CO2 + 0.5 C10H2M4 + 0.5 H2', [1.00E+08 0 54418])",
 "reaction('RPHENOXM2 + RCH3 => PCOH + 0.5 C10H2M4 + 0.5 PH2 + PCH3', [1.00E+08 0 48139])",
 "reaction('RPHENOX + RCH3 => PCOH + 0.5 C10H2 + 1.5 PH2 + PCH3', [1.00E+08 0 48139])",
 "reaction('RCH3O + RCH3 => ETOH', [1.00E+08 0 12558])",
 "reaction('-2 RCH3O => CH3CHO + H2O', [1.00E+08 0 12558])",
 "reaction('RCH3O + PRADIOM2 => PCH2OH + PADIOM2', [1.00E+08 0 52325])",
 "reaction('RCH3O + PRKETM2 => PCH2OH + PKETM2', [1.00E+08 0 52325])",
 "reaction('-2 RADIOM2 => 2 PCH2OH + 2 PCHP2 + 2 PCHOHP + 2 PH2 + C10H2M4 + 2 PCOH', [3.16E+07 0 83720])",
 "reaction('-2 RLIGM2B => 0.2 CHAR + 2 PCH2OH + 2 PCHOHP + 3 PH2 + 2 C10H2M4 + 4 PCOH', [3.16E+07 0 83720])",
 "reaction('-2 RLIGM2A => 2 PCOHP2 + 2 H2O + 2 PC2H2 + 4 PCOH + 3 PH2 + 2 C10H2M4', [3.16E+07 0 83720])",
 "reaction('-2 RMGUAI => 2 PH2 + C10H2M4 + 2 PCOH', [3.16E+07 0 83720])",
 "reaction('-2 RKETM2 => 2 PCHP2 + 2 PCH2OH + 2 PH2 + C10H2M4 + 4 PCOH', [3.16E+07 0 83720])",
 "reaction('PRFET3M2 + PRFET3M2 => 2 PCOH + C10H2M4 + 2 PCHP2 + 2 PCHO + 2 PCHOHP + PH2', [3.16E+07 0 83720])",
 "reaction('-2 RC3H7O2 => 2 H2O + 2 PC2H2 + 2 PCHOHP + PH2', [1.00E+08 0 12558])",
 "reaction('-2 RC3H5O2 => 2 H2O + 2 PC2H2 + PH2 + 2 PCOH', [1.00E+08 0 12558])",
 "reaction('-2 RC3H3O => 2 PC2H2 + PH2 + 2 PCOH', [1.00E+08 0 12558])",
 "reaction('OH + RCH3 => CH3OH', [1.00E+08 0 12558])",
 "reaction('-2 RCH3 => C2H6', [1.00E+08 0 12558])",
 "reaction('RCH3 + PRADIOM2 => PCH3 + PADIOM2', [1.00E+08 0 48139])",
 "reaction('RCH3 + PRKETM2 => PCH3 + PKETM2', [1.00E+08 0 48139])",
 "reaction('RPHENOX + RLIGB => 3 PCOS + PCOHP2 + H2O + PC2H2 + 1.5 C10H2 + 3 PH2 + 2 H2', [3.16E+07 0 83720])",
 "reaction('-2 RADIO => 2 PCH2OH + 2 PCHP2 + 2 PCHOHP + PCOS + PCOH + C10H2 + H2 + 3 PH2', [3.16E+07 0 92092])",
 "reaction('RLIGB + RLIGB => PCOS + 0.2 CHAR + 2 PCH2OH + 2 PCHOHP + 2 C10H2 + 3 PCOS + 5 PH2 + 2 H2', [3.16E+07 0 83720])",
 "reaction('-2 RLIGA => 2 PCOHP2 + 2 H2O + 2 PC2H2 + 2 C10H2 + 4 PCOS + 5 PH2 + 2 H2', [3.16E+07 0 83720])",
 "reaction('-2 RKET => 3 PCOH + 2 PCHP2 + 2 PCH2OH + PCOS + C#0H2 + 2 H2 + 2 PH2', [3.16E+07 0 83720])",
 "reaction('PRFET3 + PRFET3 => 2 PCHP2 + 2 PCHO + 2 PCHOHP + 2 PCOS + C10H2 + H2 + 2 PH2', [3.16E+07 0 83720])",
 "reaction('RLIGH + RLIGH => 2 PCOHP2 + 4 H2O + 2 PC2H2 + 4 PCOH + 2 C10H2M4 + H2 + 2 PCH3 + 2 PCHP2 + 2 PCH2P', [3.16E+07 0 83720])",
 "reaction('RPHENOX + RPHENOL => 2 PCOS + C10H2 + 1.5 H2 + 2 PH2', [5.00E+07 0 83720])",
 "reaction('RPHENOX + RC3H3O => PCOS + 0.5 C10H2 + H2 + PH2 + PC2H2 + PCOH', [1.00E+08 0 48139])",
 "reaction('RPHENOX + CHAR => PCOS + 0.5 C10H2 + 1.5 H2 + CHAR', [3.00E+07 0 104650])",
 "reaction('RPHENOXM2 + CHAR => PCOS + 0.5 C10H2M4 + 0.5 H2 + CHAR', [3.00E+07 0 104650])",
 "reaction('ADIOM2 => VADIOM2', [1 1 62790])",
 "reaction('KETM2 => VKETM2', [1 1 62790])",
 "reaction('KETDM2 => VKETDM2', [1 1 58604])",
 "reaction('SYNAPYL => VSYNAPYL', [1 1 62790])",
 "reaction('MGUAI => VMGUAI', [1 1 66976])",
 "reaction('COUMARYL => VCOUMARYL', [1 1 83720])",
 "reaction('ADIO => VADIO', [1 1 66976])",
 "reaction('KET => VKET', [1 1 66976])",
 "reaction('KETD => VKETD', [1 1 83720])",
 "reaction('PHENOL => VPHENOL', [1 1 58604])",
 "reaction('PCOS => CO', [2.00E+08 0 209300])",
 "reaction('PCOH => CO', [1.00E+07 0 138138])",
 "reaction('PH2 => H2', [1.00E+10 0 209300])",
 "reaction('PC2H2 => H2 + 0.2 CHAR', [5.00E+08 0 205114])",
 "reaction('PCH2OH => OH + PCH2P', [5.00E+08 0 0])",
 "reaction('PCHOHP => OH + 0.5 PC2H2', [5.00E+08 0 0])",
 "reaction('PCOHP2 => OH + 0.1 CHAR', [5.00E+08 0 0])",
 "reaction('PCH3 => RCH3', [1.00E+13 0 125580])",
 "reaction('PCH2P => PCHP2 + 0.5 H2', [5.00E+08 0 209300])",
 "reaction('PCHP2 => 0.1 CHAR + 0.5 H2', [5.00E+08 0 209300])",
 "reaction('PLIGH => LIGH', [1E13 0 154812])",
 "reaction('PLIGC => LIGC', [1E13 0 168458])",
 "reaction('PLIGO => LIGO', [1E13 0 154812])",
 "reaction('LIGO => LIGM2 + CO2', [1E9 0 108836])",
 "reaction('LIGC => LIG + CH2CO', [1E8 0 121394])",
 "reaction('-2 PRADIO => PCOH + PCOS + 2 PCH2OH + 2 PCHP2 + 2 PCHOHP + C10H2 + 2 PH2 + H2', [3.16E7 0 92092])",
 "reaction('-2 PRADIOM2 => 2 PCOH + 2 PCH2OH + 2 PCHP2 + 2 PCHOHP + PH2 + C10H2M4', [3.16E7 0 83720])",
 "reaction('PCHO => CO', [1E7 0 138138])",
 "reaction('RC3H5O2 + LIGH => C3H6O2 + RLIGH', [2*10**8 0 71162-4186])",
 "reaction('PRFET3 + LIGH => PFET3 + RLIGH', [2*10**8 0 54418-4186])",
 "reaction('RC3H7O2 + LIGH => C3H8O2 + RLIGH', [2*10**8 0 62790-4186])",
 "reaction('RADIOM2 + LIGH => ADIOM2 + RLIGH', [2*10**8 0 54418-4186])",
 "reaction('PRFET3M2 + LIGH => PFET3M2 + RLIGH', [2*10**8 0 54418-4186])",
 "reaction('PRLIGH + LIGH => PLIGH + RLIGH', [2*10**8.5 0 41860-4186])",
 "reaction('RLIGM2B + LIGH => LIGM2 + RLIGH', [2*10**8 0 54418-4186])",
 "reaction('RLIGM2A + LIGH => LIGM2 + RLIGH', [2*10**8 0 54418-4186])",
 "reaction('RCH3 + LIGH => CH4 + RLIGH', [2*10**8.5 0 48139-4186])",
 "reaction('PRKETM2 + LIGH => PKETM2 + RLIGH', [2*10**8 0 54418-4186])",
 "reaction('RKET + LIGH => KET + RLIGH', [2*10**8.5 0 54418-4186])",
 "reaction('PRADIO + LIGH => PADIO + RLIGH', [2*10**8 0 46046-4186])",
 "reaction('RC3H3O + LIGH => C3H4O + RLIGH', [2*10**8 0 83720-4186])",
 "reaction('RLIGB + LIGH => LIG + RLIGH', [2*10**8 0 56511-4186])",
 "reaction('RLIGA + LIGH => LIG + RLIGH', [2*10**8 0 56511-4186])",
 "reaction('PRADIOM2 + LIGH => PADIOM2 + RLIGH', [2*10**8.5 0 41860-4186])",
 "reaction('RMGUAI + LIGH => MGUAI + RLIGH', [2*10**8 0 54418-4186])",
 "reaction('OH + LIGH => H2O + RLIGH', [2*10**9.5 0 14651-4186])",
 "reaction('RCH3O + LIGH => CH3OH + RLIGH', [2*10**8.5 0 33069-4186])",
 "reaction('RPHENOL + LIGH => PHENOL + RLIGH', [2*10**8.5 0 54418-4186])",
 "reaction('RADIO + LIGH => ADIO + RLIGH', [2*10**8 0 54418-4186])",
 "reaction('RC3H5O2 + PLIGH => C3H6O2 + PRLIGH2', [2*10**8 0 71162-4186])",
 "reaction('PRFET3 + PLIGH => PFET3 + PRLIGH2', [2*10**8 0 54418-4186])",
 "reaction('RC3H7O2 + PLIGH => C3H8O2 + PRLIGH2', [2*10**8 0 62790-4186])",
 "reaction('RADIOM2 + PLIGH => ADIOM2 + PRLIGH2', [2*10**8 0 54418-4186])",
 "reaction('PRFET3M2 + PLIGH => PFET3M2 + PRLIGH2', [2*10**8 0 54418-4186])",
 "reaction('PRLIGH + PLIGH => PLIGH + PRLIGH2', [2*10**8.5 0 41860-4186])",
 "reaction('RLIGM2B + PLIGH => LIGM2 + PRLIGH2', [2*10**8 0 54418-4186])",
 "reaction('RLIGM2A + PLIGH => LIGM2 + PRLIGH2', [2*10**8 0 54418-4186])",
 "reaction('RCH3 + PLIGH => CH4 + PRLIGH2', [2*10**8.5 0 48139-4186])",
 "reaction('PRKETM2 + PLIGH => PKETM2 + PRLIGH2', [2*10**8 0 54418-4186])",
 "reaction('RKET + PLIGH => KET + PRLIGH2', [2*10**8.5 0 54418-4186])",
 "reaction('PRADIO + PLIGH => PADIO + PRLIGH2', [2*10**8 0 46046-4186])",
 "reaction('RC3H3O + PLIGH => C3H4O + PRLIGH2', [2*10**8 0 83720-4186])",
 "reaction('RLIGB + PLIGH => LIG + PRLIGH2', [2*10**8 0 56511-4186])",
 "reaction('RLIGA + PLIGH => LIG + PRLIGH2', [2*10**8 0 56511-4186])",
 "reaction('PRADIOM2 + PLIGH => PADIOM2 + PRLIGH2', [2*10**8.5 0 41860-4186])",
 "reaction('RMGUAI + PLIGH => MGUAI + PRLIGH2', [2*10**8 0 54418-4186])",
 "reaction('OH + PLIGH => H2O + PRLIGH2', [2*10**9.5 0 14651-4186])",
 "reaction('RCH3O + PLIGH => CH3OH + PRLIGH2', [2*10**8.5 0 33069-4186])",
 "reaction('RPHENOL + PLIGH => PHENOL + PRLIGH2', [2*10**8.5 0 54418-4186])",
 "reaction('RADIO + PLIGH => ADIO + PRLIGH2', [2*10**8 0 54418-4186])",
 "reaction('RC3H5O2 + PLIGM2 => C3H6O2 + PRLIGM2A', [2*10**8 0 71162-4186])",
 "reaction('PRFET3 + PLIGM2 => PFET3 + PRLIGM2A', [2*10**8 0 54418-4186])",
 "reaction('RC3H7O2 + PLIGM2 => C3H8O2 + PRLIGM2A', [2*10**8 0 62790-4186])",
 "reaction('RADIOM2 + PLIGM2 => ADIOM2 + PRLIGM2A', [2*10**8 0 54418-4186])",
 "reaction('PRFET3M2 + PLIGM2 => PFET3M2 + PRLIGM2A', [2*10**8 0 54418-4186])",
 "reaction('PRLIGH + PLIGM2 => PLIGH + PRLIGM2A', [2*10**8.5 0 41860-4186])",
 "reaction('RLIGM2B + PLIGM2 => LIGM2 + PRLIGM2A', [2*10**8 0 54418-4186])",
 "reaction('RLIGM2A + PLIGM2 => LIGM2 + PRLIGM2A', [2*10**8 0 54418-4186])",
 "reaction('RCH3 + PLIGM2 => CH4 + PRLIGM2A', [2*10**8.5 0 48139-4186])",
 "reaction('PRKETM2 + PLIGM2 => PKETM2 + PRLIGM2A', [2*10**8 0 54418-4186])",
 "reaction('RKET + PLIGM2 => KET + PRLIGM2A', [2*10**8.5 0 54418-4186])",
 "reaction('PRADIO + PLIGM2 => PADIO + PRLIGM2A', [2*10**8 0 46046-4186])",
 "reaction('RC3H3O + PLIGM2 => C3H4O + PRLIGM2A', [2*10**8 0 83720-4186])",
 "reaction('RLIGB + PLIGM2 => LIG + PRLIGM2A', [2*10**8 0 56511-4186])",
 "reaction('RLIGA + PLIGM2 => LIG + PRLIGM2A', [2*10**8 0 56511-4186])",
 "reaction('PRADIOM2 + PLIGM2 => PADIOM2 + PRLIGM2A', [2*10**8.5 0 41860-4186])",
 "reaction('RMGUAI + PLIGM2 => MGUAI + PRLIGM2A', [2*10**8 0 54418-4186])",
 "reaction('OH + PLIGM2 => H2O + PRLIGM2A', [2*10**9.5 0 14651-4186])",
 "reaction('RCH3O + PLIGM2 => CH3OH + PRLIGM2A', [2*10**8.5 0 33069-4186])",
 "reaction('RPHENOL + PLIGM2 => PHENOL + PRLIGM2A', [2*10**8.5 0 54418-4186])",
 "reaction('RADIO + PLIGM2 => ADIO + PRLIGM2A', [2*10**8 0 54418-4186])",
 "reaction('RC3H5O2 + LIGM2 => C3H6O2 + RLIGM2A', [1*10**8 0 71162-4186])",
 "reaction('PRFET3 + LIGM2 => PFET3 + RLIGM2A', [1*10**8 0 54418-4186])",
 "reaction('RC3H7O2 + LIGM2 => C3H8O2 + RLIGM2A', [1*10**8 0 62790-4186])",
 "reaction('RADIOM2 + LIGM2 => ADIOM2 + RLIGM2A', [1*10**8 0 54418-4186])",
 "reaction('PRFET3M2 + LIGM2 => PFET3M2 + RLIGM2A', [1*10**8 0 54418-4186])",
 "reaction('PRLIGH + LIGM2 => PLIGH + RLIGM2A', [1*10**8.5 0 41860-4186])",
 "reaction('RLIGM2B + LIGM2 => LIGM2 + RLIGM2A', [1*10**8 0 54418-4186])",
 "reaction('RLIGM2A + LIGM2 => LIGM2 + RLIGM2A', [1*10**8 0 54418-4186])",
 "reaction('RCH3 + LIGM2 => CH4 + RLIGM2A', [1*10**8.5 0 48139-4186])",
 "reaction('PRKETM2 + LIGM2 => PKETM2 + RLIGM2A', [1*10**8 0 54418-4186])",
 "reaction('RKET + LIGM2 => KET + RLIGM2A', [1*10**8.5 0 54418-4186])",
 "reaction('PRADIO + LIGM2 => PADIO + RLIGM2A', [1*10**8 0 46046-4186])",
 "reaction('RC3H3O + LIGM2 => C3H4O + RLIGM2A', [1*10**8 0 83720-4186])",
 "reaction('RLIGB + LIGM2 => LIG + RLIGM2A', [1*10**8 0 56511-4186])",
 "reaction('RLIGA + LIGM2 => LIG + RLIGM2A', [1*10**8 0 56511-4186])",
 "reaction('PRADIOM2 + LIGM2 => PADIOM2 + RLIGM2A', [1*10**8.5 0 41860-4186])",
 "reaction('RMGUAI + LIGM2 => MGUAI + RLIGM2A', [1*10**8 0 54418-4186])",
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 "reaction('PRADIOM2 + KET => PADIOM2 + RKET', [1*10**8.5 0 41860-4186])",
 "reaction('RMGUAI + KET => MGUAI + RKET', [1*10**8 0 54418-4186])",
 "reaction('OH + KET => H2O + RKET', [1*10**9.5 0 14651-4186])",
 "reaction('RCH3O + KET => CH3OH + RKET', [1*10**8.5 0 33069-4186])",
 "reaction('RPHENOL + KET => PHENOL + RKET', [1*10**8.5 0 54418-4186])",
 "reaction('RADIO + KET => ADIO + RKET', [1*10**8 0 54418-4186])"]

















In [6]:



    


reaction_list = []
for i in range(406):
    reaction_list.append('# Reaction' + str(i+1))

reaction_list = pd.DataFrame(reaction_list)
df['rxnnumber'] = reaction_list
df = df[['rxnnumber', 'rxn_list']]
dff = df.stack().reset_index(level = [0,1], drop=True)



    











In [7]:



    


dfff = pd.DataFrame(dff)
dfff.to_csv('cti_complete_reaction_list_final', index=False)



    











In [13]:



    


dfff.tail(240)



    


















    
Out[13]:










  
    

      
      0
    

  
  
    

      572
      # Reaction287
    

    

      573
      reaction('RLIGM2B + C10H2 => LIGM2 + 0.5 C10H2...
    

    

      574
      # Reaction288
    

    

      575
      reaction('RLIGM2A + C10H2 => LIGM2 + 0.5 C10H2...
    

    

      576
      # Reaction289
    

    

      577
      reaction('RCH3 + C10H2 => CH4 + 0.5 C10H2 + 0....
    

    

      578
      # Reaction290
    

    

      579
      reaction('PRKETM2 + C10H2 => PKETM2 + 0.5 C10H...
    

    

      580
      # Reaction291
    

    

      581
      reaction('RKET + C10H2 => KET + 0.5 C10H2 + 0....
    

    

      582
      # Reaction292
    

    

      583
      reaction('PRADIO + C10H2 => PADIO + 0.5 C10H2 ...
    

    

      584
      # Reaction293
    

    

      585
      reaction('RC3H3O + C10H2 => C3H4O + 0.5 C10H2 ...
    

    

      586
      # Reaction294
    

    

      587
      reaction('RLIGB + C10H2 => LIG + 0.5 C10H2 + 0...
    

    

      588
      # Reaction295
    

    

      589
      reaction('RLIGA + C10H2 => LIG + 0.5 C10H2 + 0...
    

    

      590
      # Reaction296
    

    

      591
      reaction('PRADIOM2 + C10H2 => PADIOM2 + 0.5 C1...
    

    

      592
      # Reaction297
    

    

      593
      reaction('RMGUAI + C10H2 => MGUAI + 0.5 C10H2 ...
    

    

      594
      # Reaction298
    

    

      595
      reaction('OH + C10H2 => H2O + 0.5 C10H2 + 0.5 ...
    

    

      596
      # Reaction299
    

    

      597
      reaction('RCH3O + C10H2 => CH3OH + 0.5 C10H2 +...
    

    

      598
      # Reaction300
    

    

      599
      reaction('RPHENOL + C10H2 => PHENOL + 0.5 C10H...
    

    

      600
      # Reaction301
    

    

      601
      reaction('RADIO + C10H2 + ADIO + 0.5 C10H2 + 0...
    

    

      ...
      ...
    

    

      782
      # Reaction392
    

    

      783
      reaction('RLIGM2B + KET => LIGM2 + RKET', [1*1...
    

    

      784
      # Reaction393
    

    

      785
      reaction('RLIGM2A + KET => LIGM2 + RKET', [1*1...
    

    

      786
      # Reaction394
    

    

      787
      reaction('RCH3 + KET => CH4 + RKET', [1*10**8....
    

    

      788
      # Reaction395
    

    

      789
      reaction('PRKETM2 + KET => PKETM2 + RKET', [1*...
    

    

      790
      # Reaction396
    

    

      791
      reaction('RKET + KET => KET + RKET', [1*10**8....
    

    

      792
      # Reaction397
    

    

      793
      reaction('PRADIO + KET => PADIO + RKET', [1*10...
    

    

      794
      # Reaction398
    

    

      795
      reaction('RC3H3O + KET => C3H4O + RKET', [1*10...
    

    

      796
      # Reaction399
    

    

      797
      reaction('RLIGB + KET => LIG + RKET', [1*10**8...
    

    

      798
      # Reaction400
    

    

      799
      reaction('RLIGA + KET => LIG + RKET', [1*10**8...
    

    

      800
      # Reaction401
    

    

      801
      reaction('PRADIOM2 + KET => PADIOM2 + RKET', [...
    

    

      802
      # Reaction402
    

    

      803
      reaction('RMGUAI + KET => MGUAI + RKET', [1*10...
    

    

      804
      # Reaction403
    

    

      805
      reaction('OH + KET => H2O + RKET', [1*10**9.5 ...
    

    

      806
      # Reaction404
    

    

      807
      reaction('RCH3O + KET => CH3OH + RKET', [1*10*...
    

    

      808
      # Reaction405
    

    

      809
      reaction('RPHENOL + KET => PHENOL + RKET', [1*...
    

    

      810
      # Reaction406
    

    

      811
      reaction('RADIO + KET => ADIO + RKET', [1*10**...
    

  



240 rows × 1 columns



















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In [ ]:

Content source: LigninTools/Ligpy-Cantera

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