UNIFAC Structural Groups and Parameters

For the standard UNIFAC parameter set implemented in the model the sources of values are:

  H. K. Hansen, P. Rasmussen, A. Fredenslund, M. Schiller, and J Gmehling (1991) Ind. Eng. Chem. Res. 30, 2352-2355.

  R. Wittig, J. Lohmann, and J. Gmehling (2003) Ind. Eng. Chem. Res. 42, 183-188.

We have also added functional groups and parameters from:

  K. Balslev and J. Abildskov (2002) Ind. Eng. Chem. Res. 41, 2047-205.

In the parameter set modified by C. K. Chan and co-workers (C. Peng, M. N. Chan, and C. K. Chan (2001) Environ. Sci. Technol. 35, 4495-4501) the following changes are made to values of interaction parameters a(i,j):

        Sub       
       Groups         Peng     Standard  
      i      j       a(i,j)     a(i,j)   
     ----  ----      -----      ------   
     OH    COOH      224.39     199.0    
     COOH    OH     -103.03    -151.0    
                                    
     OH     H2O      265.87     353.5    
     H2O     OH     -467.42    -229.1    
                                    
     H2O    COOH     -69.29     -14.09   
     COOH    H2O    -145.88      66.17   

In Table 1 below the symbol for each functional group is listed together with the main group number in the first column, the fitted parameters Rk and Qk, and examples of how the groups are used to specify molecular group composition in the model.

Values of the parameters a(i,j) and a(j,i) for main group interactions are listed after the table.


            Table 1.  UNIFAC Structural Groups and Examples of Their Use

     Group  Symbol                             Rk    Qk        Example
     -----------------------------------------------------------------
     1      alkane group
     -------------------
            CH3   (end group of chain)        0.9011 0.848     ethane:  2*CH3
            CH2   (middle group of chain)     0.6744 0.540     n-butane: 2*CH3 2*CH2
            CH    (middle group of chain)     0.4469 0.228     isobutane: 3*CH3 1*CH
            C     (bonded to 4 other C)       0.2195 0.0       neopentane: 4*CH3 1*C

     2      alpha-olefin group
     -------------------------
            CH2=CH                            1.3454 1.176     hexene-1: 1*CH3 3*CH2 1*CH2=CH
            CH=CH                             1.1167 0.867     hexene-2: 1*CH3 2*CH2 1*CH=CH
            CH2=C                             1.1173 0.988     2-methyl-1-butene: 2*CH3 1*CH2 1*CH2=CH
            CH=C                              0.8886 0.676     2-methyl-2-butene: 2*CH3 1*CH=C
            C=C                               0.6605 0.485     2,3-dimethylbutene: 4*CH3 1*C=C

     3      aromatic carbon
     ----------------------
            ACH                               0.5313 0.400     napthaline:  8*ACH 2*AC
            AC                                0.3652 0.120     styrene: 1*CH2=CH 5*ACH 1*AC

     4      aromatic carbon-alkane
     -----------------------------
            ACCH3                             1.2663 0.968     toluene: 5*ACH 1*ACCH3
            ACCH2                             1.0396 0.660     ethylbenzene: 5*ACH 1*ACCH2 1*CH3
            ACCH                              0.8121 0.348     cumene: 2*CH3 5*ACH 1*ACCH

     5      alcohol
     --------------
            OH                                1.0000 1.200     propanol-2: 2*CH3 1*CH 1*OH

            methanol
     ---------------
     6      CH3OH                             1.4311 1.432     methanol: 1*CH3OH

     7      water
     ------------
            H2O                               0.92   1.4       water: 1*H2O

     8      aromatic carbon-alcohol
     -----------------------------
            ACOH                              0.8952 0.68      phenol: 5*ACH 1*ACOH

     9      carbonyl
     ---------------
            CH3CO                             1.6724 1.448     butanone: 1*CH3 1*CH2 1*CH3CO
            CH2CO                             1.4457 1.180     pentanone-3: 2*CH3 1*CH2 1*CH2CO

     10     aldehyde
     ---------------
            HCO                               0.9980 0.948     propionaldehyde: 1*CH3 1*CH2 1*HCO

     11     acetate group
     --------------------
            CH3COO                            1.9031 1.728     butyl acetate: 1*CH3 3*CH2 1*CH3COO
            CH2COO                            1.6764 1.420     methyl propionate: 2*CH3 1*CH2COO

     12     formate group
     --------------------
            HCOO                              1.2420 1.188     ethyl formate: 1*CH3 1*CH2 1*HCOO

     13     ether
     ------------
            CH3O                              1.1450 1.088     dimethyl ether: 1*CH3 1*CH3CO
            CH2O                              0.9183 0.780     diethyl ether: 2*CH3 1*CH2 1*CH2O
            CHO                               0.6908 0.468     diisopropyl ether: 4*CH3 1*CH 1*CHO
            THF                               0.9183 1.100     tetrahydrofuran: 3*CH2 1*THF

     14     primary amine
     -------------------
            CH3NH2                            1.5959 1.544     methylamine:   1*CH3NH
            CH2NH2                            1.3692 1.236     ethylamine    1*CH3 1*CH2NH2
            CHNH2                             1.1417 0.924     isopropyl amine: 2*CH3 1*CHNH2

     15     secondary amine group
     ----------------------------
            CH3NH                             1.4337 1.244     dimethylamine: 1*CH3 1*CH3NH
            CH2NH                             1.2070 0.936     diethylamine:  2*CH3 1*CH2 1*CH2NH
            CHNH                              0.9795 0.624     diisopropyl amine: 4*CH2 1*CH 1*CHNH

     16     tertiary amine
     ---------------------
            CH3N                              1.1865 0.940     trimethylamine: 2*CH3 1*CH3N
            CH2N                              0.9597 0.632     triethylamine: 3*CH3 2*CH2 1*CH2N

     17     aromatic amine
     ---------------------
            ACNH2                             1.0600 0.816     aniline: 5*ACH 1*ACNH2

     18     pyridine
     ---------------
            C5H5N                             2.9993 2.113     pyridine: 1*C5H5N
            C5H4N                             2.8332 1.833     2-methylpyridine: 1*CH3 1*C5H4N
            C5H3N                             2.6670 1.553     2 3-dimethylpyridine: 2*CH3 1*C5H3N

     19     CCN
     ----------
            CH3CN                             1.8701 1.724     acetonitrile: 1*CH3CN
            CH2CN                             1.6434 1.416     propionitrile: 1*CH3 1*CH2CN

     20     COOH
     -----------
            COOH                              1.3013 1.224     acetic acid: 1*CH3 1*COOH
            HCOOH                             1.5280 1.532     formic acid:  1*HCOOH

     21     CCl
     ----------
            CH2Cl                             1.4654 1.264     butane-1-chloro: 1*CH3 2*CH2 1*CH2Cl
            CHCl                              1.2380 0.952     propane-2-chloro: 2*CH3 1*CHCl
            CCl                               1.0106 0.724     2-methylpropane-2-chloro: 2*CH3 1*CCl

     22     CCl2
     -----------
            CH2Cl2                            2.2564 1.998     methane-dichloro: 1*CH2Cl2
            CHCl2                             2.0606 1.684     ethane-1,1-dichloro: 1*CH3 1*CHCl2
            CCl2                              1.8016 1.448     propane-2,2-dichloro: 2*CH3 1*CCl2

     23     CCl3
     -----------
            CHCl3                             2.8700 2.410     chloroform: 1*CHCl3
            CCl3                              2.6401 2.184     ethane-1,1,1-trichloro: 1*CH3 1*CCl3

     24     CCl4
     -----------
            CCl4                              3.3900 2.910     methane-tetrachloro: 1*CCl4

     25     aromatic chloro
     ---------------------
            ACCl                              1.1562 0.844     benzene-chloro: 5*ACH 1*ACCl


     26     CNO2
     -----------
            CH3NO2                            2.0086 1.868     nitromethane: 1*CH3NO2
            CH2NO2                            1.7818 1.560     propane-1-nitro: 1*CH3 1*CH2 1*CH2NO2
            CHNO2                             1.5544 1.248     propane-2-nitro: 2*CH3 1*CHNO2

     27     aromatic nitro
     ---------------------
            ACNO2                             1.4199 1.104     benzene-nitro: 5*ACH 1*ACNO2

     28     carbon disulphide
     ------------------------
            CS2                               2.0570 1.650     carbon disulphide: 1*CS2

     29     CH3SH
     ------------
            CH3SH                             1.8770 1.676     methanethiol: 1*CH3SH
            CH2SH                             1.6510 1.368     ethanethiol: 1*CH3 1*CH2SH

     30     furfural
     ---------------
            furfural                          3.1680 2.484     furfural: 1*furfural

     31     ethanediol
     -----------------
            DOH                               2.4088 2.248     1,2-ethanediol: 1*DOH

     32     iodo compounds
     ---------------------
            I                                 1.2640 0.992     iodoethane: 1*CH3 1*CH2 1*I

     33     bromo compounds
     ----------------------
            Br                                0.9492 0.832     bromoethane: 1*CH3 1*CH2 1*Br

     34     carbon triple bond
     -------------------------
            CH{triple}C                       1.2920 1.088     hexyne-1: 1*CH3 3*CH2 1*CH{triple}C
            C{triple}C                        1.0613 0.784     hexyne-2: 2*CH3 2*CH2 1*C{triple}C

     35     dimethylsulphoxide
     -------------------------
            DMSO                              2.8266 2.472     dimethylsulfoxide: 1*DMSO

     36     acrylonitrile
     --------------------
            acrylnitrile                      2.3144 2.052     acrylnitrile: 1*acrylnitrile

     37     Cl, double bonded carbon
     -------------------------------
            Cl-C=C                            0.7910 0.724     ethene-trichloro:  1*CH=C 3*Cl-(C=C)

     38     aromatic fluoro
     ----------------------
            ACF                               0.6948 0.524     hexafluorobenzene:  6*ACF

     39     DMF
     ----------
            DMF                               3.0856 2.736     n,n-dimethylformamide: 1*DMF
            HCON(CH2)2                        2.6322 2.120     n,n-diethylformamide: 2*CH3 1*HCON(CH2)2

     40     CF2
     ----------
            CF3                               1.4060 1.380     perfluorohexane: 2*CF3 4*CF2
            CF2                               1.0105 0.920
            CF                                0.6150 0.460     perfluoromethylcyclohexane: 1*CF3 5*CF2 1*CF

     41     acrylate
     ---------------
            COO                               1.3800 1.200     methyl acrylate: 1*CH3 1*CH2=CH 1*COO

     42     SiH2
     -----------
            SiH3                              1.6035 1.263     methylsilane: 1*CH3 1*SiH3
            SiH2                              1.4443 1.006     diethylsilane: 2*CH3 2*CH2 1*SiH2
            SiH                               1.2853 0.749     heptamethyltrisiloxane:  7*CH3 2*SiO 1*SiH
            Si                                1.0470 0.410     heptamethyldisiloxane:  6*CH3 1*SiO 1*Si

     43     SiO
     ----------
            SiH2O                             1.4838 1.062     1,3-dimethyldisiloxane: 3*CH3 1*SiH2O 1*SiH2
            SiHO                              1.3030 0.764     1,1,3,3-tetramethyldisiloxane: 4*CH3 1*SiHO 1*SiH
            SiO                               1.1044 0.466     octamethylcyclotetrasiloxane:  8*CH3 4*SiO

     44     methylpyrrolidone
     ------------------------
            NMP                               3.9810 3.200     n-methylpyrrolidone: 1*NMP

     45     CClF
     -----------
            CCl3F                             3.0356 2.644     trichlorofluoromethane: 1*CCl3F
            CCl2F                             2.2287 1.916     tetrachloro-1,2-difluoroethane: 2*CCl2F
            HCCl2F                            2.4060 2.116     dichlorofluoromethane: 1*HCCl2F
            HCClF                             1.6493 1.416     1-chloro-1,2,2,2-tetrafluoroethane: 1*CF3 1*HCClF
            CClF2                             1.8174 1.648     1,2-dichlorotetrafluoroethane: 2*CClF2
            HCClF2                            1.9670 1.828     chlorodifluoromethane: 1*HCClF2
            CClF3                             2.1721 2.100     chlorotrifluoromethane: 1*CClF3
            CCl2F2                            2.6243 2.376     dichlorodifluoromethane: 1*CCl2F2

     46     CON
     ----------
            CONH2                             1.4515 1.248     acetamide: 1*CH3 1*CONH2
            CONHCH3                           2.1905 1.796     n-methylacetamide: 1*CH3 1*CONHCH3
            CONHCH2                           1.9637 1.488     n-ethylacetamide: 2*CH3 1*CONHCH2
            CON(CH3)2                         2.8589 2.428     n,n-dimethylacetamid: 1*CH3 1*CON(CH3)2
            CONCH3CH2                         2.6322 2.120     n,n-methylethylacetamid: 2*CH3 1*CONCH3CH2
            CON(CH2)2                         2.4054 1.812     n,n-diethylacetamid: 3*CH3 1*CON(CH2)2

     47     OCCOH
     ------------
            C2H5O2                            2.1226 1.904     2-ethoxyethanol: 1*CH3 1*CH2 1*C2H5O2
            C2H4O2                            1.8952 1.592     2-ethoxy-1-propanol: 2*CH3 1*CH2 1*C2H4O2

     48     CH2S
     -----------
            CH3S                              1.6130 1.368     dimethylsulphide: 1*CH3 1*CH3S
            CH2S                              1.3863 1.060     diethylsulphide: 2*CH3 1*CH2 1*CH2S
            CHS                               1.1589 0.748     diisopropylsulphide: 4*CH3 1*CH 1*CHS

     49     morpholine
     -----------------
            morpholine                        3.4740 2.796     morpholine: 1*MORPH

     50     thiophene
     ----------------
            C4H4S                             2.8569 2.140     thiophene: 1*C4H4S
            C4H3S                             2.6908 1.860     2-methylthiophene: 1*CH3 1*C4H3S
            C4H2S                             2.5247 1.580     2 3-dimethylthiophene: 2*CH3 1*C4H2S

     52     sulphones
     ----------------
            CH2SuCH2                          2.6869 2.120     sulfolane: 1*CH2SuCH2 2*CH3
            CH2SuCH                           2.4595 1.808     2,4 dimethyl sulfolane: 1*CH2SuCH 1*CH3 1*CH2 1*CH

     53     oxides
     -------------
            CH2OCH2                           1.5926 1.320     ethylene oxide:  1*CH2OCH2
            CH2OCH                            1.3652 1.008     1,2-propylene oxied:  1*CH3  1*CH2OCH
            CH2OC                             1.1378 0.780     1,2-epoxy-2-methylpropane: 2*CH3  1*CH2OC
            CHOCH                             1.1378 0.696     2,3 epoxybutane: 2*CH3  1*CHOCH
            CHOC                              0.9103 0.468     2,3-epoxy-2-methylbutane:  3*CH3  1*CHOCH
            COC                               0.6829 0.240     2,3-epoxy-2 3-dimethylbutane: 4*CH3  1*COC

     54     anhydrides
     -----------------
            O=COC=O                           1.7732 1.520     acetic anhydride: 2*CH3  1*O=COC=O

     55     aromatic nitrile
     -----------------------
            AC-CN                             1.3342 0.996     benzonitrile: 5*ACH  1*AC-CN

     56     aromatic bromo
     ---------------------
            AC-Br                             1.3629 0.972     bromobenzene: 5*ACH  1*AC-Br

The UNIFAC energy interaction parameters are listed in Table 2 below. Each sub group (for example, the CH3, CH2, CH and C listed for the main group 'alkanes') has the same set of energy interaction parameters. These parameters are referenced by main group number (column 1 from Table 1).


       Table 2.  UNIFAC Energy Interaction Parameters

 i  j  a(i,j)       i  j  a(i,j)       i  j  a(i,j)      i  j  a(i,j)         i  j  a(i,j)          
---------------    ---------------    ---------------   ---------------      -----------
 1  1  0.0000       1  7  1318.0       1 16  206.60      11 25  442.40        1 39  485.30
 2  1  -35.360      2  7  270.60       2 16  61.110      12 25  24.280        2 39  -70.450
 3  1  -11.120      3  7  903.80       3 16  90.490      13 25  134.80        3 39  245.60
 4  1  -69.700      4  7  5695.0       4 16  23.500      14 25  30.050        4 39  5629.0
 5  1  156.40       5  7  353.50       5 16  -323.00     15 25  -18.930       5 39  -143.90
 6  1  16.510       6  7  -181.00      6 16  53.900      16 25  -181.90       6 39  -172.40
 7  1  300.00       7  7  0.0000       7 16  304.00      17 25  617.50        7 39  319.00
 8  1  275.80       8  7  -601.80      9 16  -169.00     18 25  -2.17         9 39  -61.700
 9  1  26.76        9  7  472.50      11 16  -196.70     19 25  -4.6240      10 39  -268.80
10  1  505.70      10  7  480.80      13 16  5422.3      20 25  -79.080      11 39  85.330
11  1  114.80      11  7  200.80      14 16  -41.110     21 25  153.00       12 39  308.90
12  1  329.30      12  7  124.63      15 16  -189.20     22 25  223.10       13 39  254.80
13  1  83.360      13  7  -314.70     16 16  0.0000      23 25  192.10       14 39  -164.00
14  1  -30.480     14  7  -330.48     17 16  -24.46      24 25  -75.970      15 39  -255.22
15  1  65.330      15  7  -448.20     19 16  -446.86     25 25  0.0000       16 39  22.050
16  1  -83.980     16  7  -598.80     21 16  151.38      26 25  132.90       17 39  -334.40
17  1  1139.0      17  7  -341.60     22 16  -141.40     27 25  -123.10      19 39  -151.50
18  1  -101.60     18  7  -332.90     23 16  -293.70     33 25  -185.30      20 39  -228.00
19  1  24.820      19  7  242.80      24 16  316.90      35 25  -334.12      21 39   6.57
20  1  315.30      20  7 -66.170      25 16  2951.0      39 25  -374.16      22 39  -160.28
21  1  91.460      21  7  698.20      35 16  -257.2      40 25  33.95        24 39  498.60
22  1  34.010      22  7  708.70      38 16  116.50      41 25  1107.0       25 39  5143.14
23  1  36.700      23  7  826.76      39 16  -185.20     44 25  161.50       26 39  -223.10
24  1  -78.450     24  7  1201.0       1 17  920.70      47 25  7.0820       29 39  78.920
25  1  106.80      25  7  -274.50      2 17  749.30       1 26  661.50       31 39  302.20
26  1  -32.690     26  7  417.90       3 17  648.20       2 26  357.50       33 39  336.25
27  1  5541.0      27  7  360.70       4 17  664.20       3 26  168.00       34 39  -119.80
28  1  -52.650     28  7  1081.0       5 17  -52.390      4 26  3629.0       35 39  -97.710
29  1  -7.4810     30  7  23.480       6 17  489.70       5 26  256.50       36 39  -8.8040
30  1  -25.310     31  7  -137.40      7 17  459.00       6 26  75.140       37 39  255.00
31  1  140.00      33  7  79.18        8 17  -305.50      7 26  220.60       38 39  -110.65
32  1  128.00      35  7  -240.00      9 17  6201.0       9 26  137.50       39 39  0.0000
33  1  -31.520     36  7  386.60      11 17  475.50      11 26  -81.130      40 39  55.800
34  1  -72.880     39  7  -287.10     13 17  -46.39      13 26  95.180       41 39  -28.650
35  1  50.490      41  7  284.40      14 17  -200.70     19 26  -0.5150       1 40  -2.8590
36  1  -165.90     42  7  180.20      15 17  138.54      21 26  32.730        2 40  449.40
37  1  47.410      44  7  832.20      16 17  287.43      22 26  108.90        3 40  22.670
38  1  -5.1320     46  7  -509.30     17 17  0.0000      24 26  490.90        4 40  -245.39
39  1  -31.950     47  7  -205.70     18 17  117.40      25 26  132.70       13 40  -172.51
40  1  147.30      49  7  -384.30     19 17  777.40      26 26  0.0000       25 40  309.58
41  1  529.00      52  7  627.39      20 17  493.80      27 26  -85.120      38 40  -117.20
42  1  -34.360      1  8  1333.0      21 17  429.70      28 26  277.80       39 40  -5.5790
43  1  110.20       2  8  526.10      22 17  140.80      31 26  481.30       40 40  0.0000
44  1  13.890       3  8  1329.0      24 17  898.20      32 26  64.280       45 40  -32.170
45  1  30.740       4  8  884.90      25 17  334.90      33 26  125.30        1 41  387.10
46  1  27.970       5  8  -259.70     27 17  134.90      34 26  174.40        2 41  48.330
47  1  -11.920      6  8  -101.70     31 17  192.30      37 26  379.40        3 41  103.50
48  1  39.930       7  8  324.50      39 17  343.70      39 26  223.60        4 41  69.260
49  1  -23.610      8  8  0.0000      41 17  -22.100     41 26  -124.70       5 41  190.30
50  1  -8.4790      9  8  -133.1       1 18  287.77      45 26  844.00        6 41  165.70
52  1  245.21      10  8  -155.60      2 18  280.50      50 26  176.30        7 41  -197.50
 1  2  86.020      11  8  -36.720      3 18  -4.4490      1 27  543.00        8 41  -494.20
 2  2  0.0000      12  8  -234.25      4 18  52.800       3 27  194.90        9 41  -18.800
 3  2  3.4460      13  8  -178.5       5 18  170.00       4 27  4448.0       10 41  -275.50
 4  2  -113.60     14  8  -870.8       6 18  580.50       5 27  157.10       11 41  560.20
 5  2  457.00      17  8  -253.10      7 18  459.00       6 27  457.88       12 41  -70.240
 6  2  -12.520     18  8  -341.60      8 18  -305.50      7 27  399.50       13 41  417.00
 7  2  496.10      20  8  -11.000      9 18  7.3410       8 27  -413.48      15 41  -38.770
 8  2  217.50      22  8  1633.5      11 18  -0.13        9 27  548.50       17 41  -89.420
 9  2  42.920      24  8  10000       12 18  -233.40     13 27  155.11       19 41  120.30
10  2  56.300      25  8  622.30      13 18  213.20      17 27  -139.30      20 41  -337.00
11  2  132.10      27  8  815.12      15 18  431.49      18 27  2845.0       21 41  63.670
12  2  110.40      28  8  1421.0      17 18  89.700      21 27  86.200       22 41  -96.870
13  2  26.510      31  8  838.40      18 18  0.0000      24 27  534.70       23 41  255.80
14  2  1.1630      41  8  -167.30     19 18  134.30      25 27  2213.0       24 41  256.50
15  2  -28.700     44  8  -234.70     20 18  -313.50     26 27  533.20       25 41  -145.10
16  2  -25.380     50  8  810.50      22 18  587.30      27 27  0.0000       26 41  248.40
17  2  2000.0       1  9  476.40      23 18  18.980      32 27  2448.0       28 41  469.80
18  2  -47.630      2  9  182.60      24 18  368.50      33 27  4288.0       30 41  43.370
19  2  -40.620      3  9  25.770      25 18  20.18        1 28  153.60       31 41  347.80
20  2  1264.0       4  9  -52.100     27 18  2475.0       2 28  76.302       32 41  68.550
21  2  40.250       5  9  84.000      33 18  -42.710      3 28  52.070       33 41  -195.10
22  2  -23.500      6  9  23.390      37 18  281.60       4 28  -9.4510      35 41  153.70
23  2  51.060       7  9  -195.40     38 18  159.80       5 28  488.90       36 41  423.40
24  2  160.90       8  9  -356.10     50 18  221.40       6 28  -31.090      37 41  730.80
25  2  70.320       9  9  0.0000       1 19  597.00       7 28  887.10       39 41  72.310
26  2  -1.9960     10  9  128.00       2 19  336.90       8 28  8484.0       41 41  0.0000
28  2  16.620      11  9  372.20       3 19  212.50       9 28  216.10       47 41  101.2
30  2  82.640      12  9  385.40       4 19  6096.0      11 28  183.00        1 42  -450.40
33  2  174.60      13  9  191.10       5 19  6.7120      13 28  140.90        3 42  -432.30
34  2  41.380      15  9  394.60       6 19  53.280      19 28  230.90        4 42  683.30
35  2  64.070      16  9  225.30       7 19  112.60      21 28  450.10        5 42  -817.70
36  2  573.00      17  9  -450.30      9 19  481.70      23 28  116.60        7 42  -363.80
37  2  124.20      18  9  29.100      10 19  -106.4      24 28  132.20        9 42  -588.90
38  2  -131.70     19  9  -287.50     11 19  494.60      26 28  320.20       13 42  1338.0
39  2  249.00      20  9  -297.80     12 19  -47.250     28 28  0.0000       14 42  -664.40
40  2  62.400      21  9  286.30      13 19  -18.510     32 28  -27.450      15 42  448.10
41  2  1397.0      22  9  82.860      14 19  358.90      37 28  167.90       20 42  169.30
44  2  -16.110     23  9  552.10      15 19  147.10      41 28  885.50       42 42  0.0000
46  2  9.7550      24  9  372.00      16 19  1255.10      1 29  184.40       43 42  745.30
47  2  132.40      25  9  518.40      17 19  -281.60      3 29  -10.430       1 43  252.70
48  2  543.60      26  9  -142.60     18 19  -169.70      4 29  393.60        3 43  238.90
49  2  161.10      27  9  -101.50     19 19  0.0000       5 29  147.50        4 43  355.50
52  2  384.45      28  9  303.70      20 19  92.07        6 29  17.500        5 43  202.70
 1  3  61.130      29  9  160.60      21 19  54.320       9 29  -46.280      14 43  275.90
 2  3  38.810      30  9  317.50      22 19  258.60      12 29  103.90       15 43  -1327.0
 3  3  0.0000      31  9  135.40      23 19  74.040      13 29  -8.5380      20 43  127.20
 4  3  -146.80     32  9  138.00      24 19  492.00      14 29  -70.140      24 43  233.10
 5  3  89.600      33  9  -142.60     25 19  363.50      19 29  0.46040      42 43  -2166.0
 6  3  -50.000     34  9  443.60      26 19  0.28270     21 29  59.020       43 43  0.0000
 7  3  362.30      35  9  110.40      28 19  335.70      29 29  0.0000        1 44  220.30
 8  3  25.340      36  9  114.55      29 19  161.00      35 29  85.700        2 44  86.460
 9  3  140.10      37  9  -40.900     31 19  169.60      39 29  -71.000       3 44  30.040
10  3  23.390      39  9  97.040      33 19  136.90      44 29  -274.10       4 44  46.380
11  3  85.840      41  9  123.40      34 19  329.10      48 29  6.9710        5 44  -504.20
12  3  18.12       42  9  992.40      36 19  -42.310      1 30  354.55        7 44  -452.20
13  3  52.130      47  9  156.40      37 19  335.20       2 30  262.90        8 44  -659.00
14  3  -44.850     50  9  278.80      39 19  150.60       3 30  -64.690      23 44  -35.680
15  3  -22.310      1 10  677.00      41 19  -61.600      4 30  48.490       25 44  -209.7
16  3  -223.90      2 10  448.80      47 19  119.20       5 30  -120.50      29 44  1004.0
17  3  247.50       3 10  347.30       1 20  663.50       6 30  -61.76       31 44  -262.00
18  3  31.870       4 10  586.60       2 20  318.90       7 30  188.00       38 44  26.350
19  3  -22.970      5 10  -203.60      3 20  537.40       9 30  -163.70      44 44  0.0000
20  3  62.320       6 10  306.40       4 20  872.30      11 30  202.30        1 45  -5.8690
21  3  4.6800       7 10  -116.00      5 20  199.00      13 30  170.10        3 45  -88.110
22  3  121.30       8 10  -271.10      6 20  -202.00     20 30  -208.90       5 45  72.960
23  3  288.50       9 10  -37.360      7 20  -14.090     21 30  65.56         6 45  -52.100
24  3  -4.7000     10 10  0.0000       8 20  408.90      22 30  149.56       26 45  -218.90
25  3  -97.270     11 10   185.10      9 20  669.40      23 30  -64.380      40 45  111.80
26  3  10.380      12 10  -236.50     10 20  497.50      24 30  546.70       45 45  0.0000
27  3  1824.0      13 10  -7.8380     11 20  660.20      30 30  0.0000        1 46  390.90
28  3  21.500      19 10  224.66      12 20  -268.10     37 30  82.640        2 46  200.20
29  3  28.410      20 10  -165.50     13 20  664.60      41 30  -64.280       5 46  -382.70
30  3  157.30      21 10  -47.510     17 20  -396.00      1 31  3025.0        7 46  835.60
31  3  221.40      22 10  190.60      18 20  -153.70      3 31  210.40       20 46  -322.30
32  3  58.680      23 10  242.80      19 20  205.27       4 31  4975.0       46 46  0.0000
33  3  -154.20     32 10  245.90      20 20  0.0000       5 31  -318.90       1 47  553.30
34  3  -101.12     34 10  -55.87      21 20  519.10       6 31  -119.20       2 47  268.10
35  3  -2.5040     36 10  354.00      22 20  543.30       7 31  12.720        3 47  333.30
36  3  -123.60     37 10  183.80      23 20  504.20       8 31  -687.10       4 47  421.90
37  3  395.80      39 10  13.890      24 20  631.00       9 31  71.46         5 47  -248.30
38  3  -237.20     41 10  577.50      25 20  993.40      11 31  -101.70       7 47  139.60
39  3  -133.90      1 11  232.10      30 20  570.60      13 31  -20.110       9 47  37.540
40  3  140.60       2 11  37.850      32 20  616.60      15 31  939.07       11 47  151.80
41  3  317.60       3 11  5.9940      33 20  5256.0      17 31  0.10040      19 47  16.230
42  3  787.90       4 11  5688.0      35 20  -180.20     19 31  177.50       22 47  361.10
43  3  234.40       5 11  101.10      37 20  898.20      26 31  139.80       24 47  423.10
44  3  -23.880      6 11  -10.720     39 20  -97.770     31 31  0.0000       25 47  434.10
45  3  167.90       7 11  72.870      41 20  1179.0      35 31  535.80       31 47  -353.50
47  3  -86.880      8 11  -449.40     42 20  2450.0      39 31  -191.70      47 47  0.0000
49  3  142.90       9 11  -213.70     43 20  2496.0      41 31  -264.30       1 48  187.00
50  3  23.930      10 11  -110.30     46 20  -70.250     44 31  262.00        2 48  -617.00
52  3  47.05       11 11  0.0000       1 21  35.930      47 31  515.80        6 48  37.630
 1  4  76.500      12 11  1167.0       2 21  -36.870      1 32  335.80       23 48  565.90
 2  4  74.150      13 11  461.30       3 21  -18.810      3 32  113.30       24 48  63.950
 3  4  167.00      15 11  136.00       4 21  -114.10      4 32  259.00       29 48  -18.270
 4  4  0.0000      16 11  2889.0       5 21  75.620       5 32  313.50       37 48  2429.0
 5  4  25.820      17 11  -294.80      6 21  -38.320      6 32  212.10       48 48  0.0000
 6  4  -44.500     18 11  8.87         7 21  325.40       9 32  53.590        1 49  216.10
 7  4  377.60      19 11  -266.60      9 21  -191.70     10 32  117.00        2 49  62.560
 8  4  244.20      20 11  -256.30     10 21  751.90      11 32  148.30        3 49  -59.580
 9  4  365.80      21 11  35.380      11 21  -34.740     13 32  -149.50       4 49  -203.60
10  4  106.00      22 11  -132.90     13 21  301.10      20 32  228.40        5 49  104.70
11  4  -170.00     23 11  176.50      14 21  -82.920     21 32  2.22          6 49  -59.400
12  4  428.00      24 11  129.50      16 21  -182.91     22 32  177.60        7 49  407.90
13  4  65.690      25 11  -171.1      17 21  287.00      23 32  86.400       49 49  0.0000
14  4  296.40      26 11  129.3       19 21  4.9330      24 32  247.80        1 50  92.990
15  4  223.00      28 11  243.80      20 21  13.410      26 32  304.30        3 50  -39.160
16  4  109.90      30 11  -146.30     21 21  0.0000      27 32  2990.0        4 50  184.90
17  4  762.80      31 11  152.00      22 21  -84.530     28 32  292.70        5 50  57.650
18  4  49.800      32 11  21.920      23 21  -157.10     32 32  0.0000        6 50  -46.010
19  4  -138.40     33 11  24.370      24 21  11.800      33 32  37.10         8 50  1005.0
20  4  89.860      34 11  -111.45     25 21  -129.70     41 32  288.10        9 50  -162.60
21  4  122.90      35 11  41.570      26 21  113.00       1 33  479.50       18 50  -136.60
22  4  140.80      36 11  175.50      27 21  1971.0       2 33  183.80       24 50  108.50
23  4  69.900      37 11  611.30      28 21  -73.090      3 33  261.30       26 50  -4.5650
24  4  134.70      39 11  -82.120     29 21  -27.940      4 33  210.00       1  52  808.59
25  4  402.50      41 11  -234.90     30 21  -39.46       5 33  202.10       2  52  200.94
26  4  -97.050     47 11  -3.4440     32 21   179.25      6 33  106.30       3  52  360.82
27  4  -127.80      1 12  507.00      33 21  -262.30      7 33  777.10       4  52  233.51
28  4  40.680       2 12  333.50      37 21  383.20       9 33  245.20       5  52  215.81
29  4  19.560       3 12  287.10      39 21  -55.21      11 33  18.880       6  52  150.02
30  4  128.80       4 12  197.80      41 21  182.20      12 33  298.13       7  52 -255.63
31  4  150.60       5 12  267.80       1 22  53.760      13 33  -202.30      24 52  585.19
32  4  26.410       6 12  179.70       2 22  58.550      18 33  -60.780      56 1   -20.31
33  4  1112.0       7 12  233.87       3 22  -144.40     19 33  -62.170      56 3   -106.7
34  4  614.52       8 12  -32.52       4 22  -111.00     20 33  -95.000      56 4    568.47
35  4  -143.20      9 12  -190.40      5 22  65.280      21 33  344.40       56 5    284.28
36  4  397.40      10 12  766.00       6 22  -102.50     22 33  315.90       56 7    401.20
37  4  419.10      11 12  -241.80      7 22  370.40      23 33  168.80       56 9    106.21
38  4  -157.30     12 12  0.0000       8 22  517.27      24 33  146.60       56 24  -108.37
39  4  -240.20     13 12  457.30       9 22  -130.30     25 33  593.40       56 25     5.76
40  4  839.83      18 12  554.40      10 22  67.520      26 33  10.170       56 27  -272.01
41  4  615.80      19 12  99.370      11 22  108.90      27 33  -124.00      56 38   107.84
42  4  191.60      20 12  193.90      12 22   31.00      32 33   6.37        56 39   -33.93
43  4  221.80      22 12  80.99       13 22  137.80      33 33  0.0000       1  56   153.72
44  4  6.2140      23 12  235.60      16 22  -73.850     35 33  -111.20      3  56   174.35
47  4  -19.450     24 12  351.90      17 22  -111.0      37 33  322.42       4  56  -280.90
49  4  274.10      25 12  383.30      18 22  -351.60     39 33  -176.26      5  56   147.97
50  4  2.8450      29 12  201.50      19 22  -152.70     41 33  627.70       7  56   580.28
52  4  347.13      33 12  -92.26      20 22  -44.700      1 34  298.90       9  56   179.74
 1  5  986.50      37 12  134.50      21 22  108.30       2 34  31.140       24 56   127.16
 2  5  524.10      39 12  -116.70     22 22  0.0000       3 34  154.26       25 56     8.48
 3  5  636.10      41 12  65.370      23 22  0.0000       4 34 -152.55       27 56  1742.53
 4  5  803.20       1 13  251.50      24 22  17.970       5 34  727.80       38 56   117.59
 5  5  0.0000       2 13  214.50      25 22  -8.3090      6 34 -119.10       39 56    39.84
 6  5  249.10       3 13  32.140      26 22  -9.6390      9 34  -246.60      53 1     21.49
 7  5  -229.10      4 13  213.10      30 22  -116.21     10 34  2.21         53 2     -2.80
 8  5  -451.60      5 13  28.060      32 22  -40.820     11 34  71.48        53 3    344.42
 9  5  164.50       6 13  -128.60     33 22  -174.50     13 34  -156.57      53 4    510.32
10  5  529.00       7 13  540.50      35 22  -215.00     19 34  -203.00      53 5    244.67
11  5  245.40       8 13  -162.9      37 22  301.90      26 34  -27.700      53 6    163.76
12  5  139.40       9 13  -103.60     39 22  397.24      34 34  0.0000       53 7    833.21
13  5  237.70      10 13  304.10      41 22  305.40      37 34  631.50       53 9    569.18
14  5  -242.80     11 13  -235.70     47 22  -194.70     39 34  6.6990       53 10    -1.25
15  5  -150.00     12 13  -234.0       1 23  24.900       1 35  526.50       53 11   -38.40
16  5  28.600      13 13  0.0000       2 23  -13.990      2 35  179.00       53 12    69.70
17  5  -17.400     14 13  222.10       3 23  -231.90      3 35  169.90       53 13  -375.60
18  5  -132.30     15 13  -56.080      4 23  -80.250      4 35  4284.0       53 20   600.78
19  5  185.40      16 13  -194.10      5 23  -98.120      5 35  -202.10      53 21   291.10
20  5 -151.00      17 13  285.36       6 23  -139.40      6 35  -399.30      53 23  -286.26
21  5  562.20      18 13  -156.10      7 23  353.70       7 35  -139.00      53 24   -52.93
22  5  527.60      19 13  38.810       9 23  -354.60      9 35  -44.580      53 37   177.12
23  5  742.10      20 13  -338.50     10 23  -483.70     11 35  52.080       1  53   408.30
24  5  856.30      21 13  225.40      11 23  -209.70     13 35  128.80       2  53   219.9
25  5  325.70      22 13  -197.70     12 23  -126.20     14 35  874.19       3  53   171.49
26  5  261.60      23 13  -20.930     13 23  -154.30     16 35  243.10       4  53  -184.68
27  5  561.60      24 13  113.90      16 23  -352.90     20 35  -463.60      5  53     6.39
28  5  609.80      25 13  -25.150     18 23  -114.70     22 35  215.00       6  53    98.2
29  5  461.60      26 13  -94.490     19 23  -15.620     23 35  363.70       7  53  -144.77
30  5  521.60      27 13  220.66      20 23  39.630      24 35  337.70       9  53  -288.94
31  5  267.60      28 13  112.40      21 23  249.20      25 35  1337.37      10 53    79.71
32  5  501.30      29 13  63.710      22 23  0.0000      29 35  31.660       11 53    36.34
33  5  524.90      30 13  -87.310     23 23  0.0000      31 35  -417.20      12 53   -77.96
34  5  68.950      31 13  9.2070      24 23  51.900      33 35  32.900       13 53   567.00
35  5  -25.870     32 13  476.60      25 23  -0.22660    35 35  0.0000       20 53    12.55
36  5  389.30      33 13  736.40      28 23  -26.060     39 35  136.60       21 53  -127.9
37  5  738.90      34 13  173.77      30 23  48.480      41 35  -29.340      23 53   165.67
38  5  649.70      35 13  -93.510     32 23  21.760       1 36  689.00       24 53   291.87
39  5  64.160      37 13  -217.90     33 23  -46.800      2 36  -52.870      37 53  -127.06
41  5  88.630      38 13  167.10      35 23  -343.60      3 36  383.90       54 1    272.82
42  5  1913.0      39 13  -158.20     37 23  -149.80      4 36  -119.20      54 2    569.71
43  5  84.850      40 13  278.15      41 23  -193.00      5 36  74.270       54 3    165.18
44  5  796.90      41 13  -247.80     44 23  -196.20      6 36  -5.2240      54 4    369.89
45  5  794.40      42 13  448.50      48 23  -363.10      7 36  160.80       54 9    -62.02
46  5  394.80       1 14  391.50       1 24  104.30       9 36  -63.5        54 11  -229.01
47  5  517.50       2 14  240.90       2 24  -109.70     10 36  -339.20      54 13  -196.59
49  5  -61.200      3 14  161.70       3 24  3.0000      11 36  -28.610      54 18   100.25
50  5  682.50       4 14  19.020       4 24  -141.30     19 36  81.570       54 20   472.04
52  5  72.19        5 14  83.020       5 24  143.10      24 36  369.50       54 24   196.73
 1  6  697.20       6 14  359.30       6 24  -44.760     36 36  0.0000       54 28   434.32
 2  6  787.60       7 14  48.890       7 24  497.50      37 36  837.20       54 32   313.14
 3  6  637.35       8 14  -832.97      8 24  1827.0      39 36  5.1500       54 41  -244.59
 4  6  603.25      13 14  -78.360      9 24  -39.200     41 36  -53.910      1  54   718.01
 5  6  -137.10     14 14  0.0000      11 24  54.570       1 37  -4.1890      2  54  -677.25
 6  6  0.0000      15 14  127.40      12 24  179.70       2 37  -66.460      3  54   272.33
 7  6  289.60      16 14  38.890      13 24  47.670       3 37  -259.10      4  54     9.63
 8  6  -265.20     17 14  -15.070     14 24  -99.810      4 37  -282.50      9  54    91.01
 9  6  108.70      19 14  -157.30     15 24  71.230       5 37  225.80       11 54   446.90
10  6  -340.20     21 14  131.20      16 24  -262.00      6 37  33.470       13 54   102.21
11  6  249.63      24 14  261.10      17 24  882.00       9 37  -34.570      18 54    98.82
12  6  227.80      25 14  108.50      18 24  -205.30     10 37  172.40       20 54   -60.07
13  6  238.40      29 14  106.70      19 24  -54.860     11 37  -275.20      24 54   532.73
14  6  -481.70     35 14 -366.51      20 24  183.40      12 37  -11.400      28 54   684.78
15  6  -370.30     39 14  49.700      21 24  62.420      13 37  240.20       32 54   190.81
16  6  -406.80     42 14  961.80      22 24  56.330      18 37  160.70       41 54  -100.53
17  6  -118.10     43 14  -125.20     23 24  -30.100     19 37  -55.770      55  3   920.49
18  6  -378.20      1 15  255.70      24 24  0.0000      20 37  -11.160      55  4   305.77
19  6  162.60       2 15  163.90      25 24  -248.40     21 37  -168.20      55 20   171.94
20  6  339.80       3 15  122.80      26 24  -34.680     22 37  -91.800      3  55    22.06
21  6  529.00       4 15  -49.290     27 24  514.60      23 37  111.20       4  55   795.38
22  6  669.90       5 15  42.700      28 24  -60.710     24 37  187.10       20 55    88.09
23  6  649.10       6 15  -20.980     30 24  -133.16     26 37  10.760
24  6  709.60       7 15  168.00      32 24  48.490      28 37  -47.370
25  6  612.80       9 15  -174.20     33 24  77.55       30 37  262.90
26  6  252.60      11 15  -73.500     35 24  -58.430     33 37  -48.33
27  6  511.29      13 15  251.50      36 24  -85.150     34 37  2073.0
28  6  914.20      14 15  -107.20     37 24  -134.20     36 37  -208.80
29  6  448.60      15 15  0.0000      38 24  -124.60     37 37  0.0000
30  6  287.00      16 15  865.90      39 24  -186.70     39 37  -137.70
31  6  240.80      17 15  64.30       41 24  335.70      41 37  -198.00
32  6  431.30      18 15  -207.66     43 24  70.810      44 37  -66.310
33  6  494.70      19 15  -108.50     47 24  3.1630      48 37  148.90
34  6  967.71      24 15  91.130      48 24  -11.300      1 38  125.80
35  6  695.00      25 15  102.20      50 24  -79.340      2 38  359.30
36  6  218.80      31 15  -213.74     52 24  75.04        3 38  389.30
37  6  528.00      38 15  -198.80      1 25  11.440       4 38  101.40
38  6  645.90      39 15  10.03        2 25  100.10       5 38  44.780
39  6  172.20      41 15  284.50       3 25  187.00       6 38  -48.250
41  6  171.00      42 15  1464.0       4 25  -211.00     13 38  -273.90
45  6  762.70      43 15  1604.0       5 25  123.50      15 38  570.90
48  6  420.00                          6 25  -28.250     16 38  -196.30
49  6  -89.240                         7 25  133.90      18 38  -158.80
50  6  597.80                          8 25  6915.0      24 38  215.20
52  6  265.75                          9 25  -119.80     38 38  0.0000
                                                          39 38  50.06
                                                          40 38  185.6