F001 1.2
F101 3.2
solvent1 0
solvent2 3
F001 2.2
F101 7.2
solvent1 5
solvent2 0
####
solvent1_F001 => 1.2
solvent1_F101 => 3.2
solvent2_F001 => 2.2
solvent2_F101 => 7.2
####
my @temp;
my @face_ac;
my $size;
my %solvent_face;
open(my $fh,'<', $file) || die "Can not open file: $!";
while (my $row = <$fh>) {
chomp $row;
if ($row=~/\d+ F/) {
@temp=split(' ',$row);
push @face_ac, @temp;
}
if ($row=~/\d+ [a-z]/) {
@temp=split(' ',$row);
if ($temp[2]==0) {
$size=@face_ac
for (my $i = 1; $i < $size+1; $i++) {
$solvent_face{$temp[1]."_".$face_ac[???]}=$face_ac[???];
}
print "@temp\n";
}
}
}
close $fh;
####
Property job 1 : Activity coefficients ln(gamma) ;
Settings job 1 : T= 298.15 K ; x(6)= 1.0000 ;
Units job 1 : Concentrations x : mole fraction ;
Nr Compound ln(gamma)
1 F002 4.66656083
2 F011 26.13597035
3 F101 32.47411476
4 F11-1 29.58963453
5 F111 30.24092207
6 h2o 0.00000000
7 acetonitrile 2.14102090
8 chlorobenzene 8.72282917
9 chcl3 6.98143674
10 cyclohexane 10.20251798
11 1,2-dichloroethane 6.32324557
12 ch2cl2 5.50767091
13 1,2-dimethoxyethane 2.56706253
14 n,n-dimethylacetamide -1.64673734
Property job 2 : Activity coefficients ln(gamma) ;
Settings job 2 : T= 298.15 K ; x(7)= 1.0000 ;
Units job 2 : Concentrations x : mole fraction ;
Nr Compound ln(gamma)
1 F002 1.69945785
2 F011 0.74578421
3 F101 2.67268035
4 F11-1 1.64808218
5 F111 1.95840198
6 h2o 2.08530828
7 acetonitrile 0.00000000
8 chlorobenzene 1.08379112
9 chcl3 0.46576330
10 cyclohexane 3.71606919
11 1,2-dichloroethane -0.02354847
12 ch2cl2 -0.23798262
13 1,2-dimethoxyethane 1.22044280
14 n,n-dimethylacetamide 0.44524110