Figure A.2 (page 640):

Gibbs energy contours for the pentane reactions as a function of the two reaction extents.

Code for Figure A.2

Text of the GNU GPL.

main.m

%% Copyright (C) 2001, James B. Rawlings and John G. Ekerdt
%%
%% This program is free software; you can redistribute it and/or
%% modify it under the terms of the GNU General Public License as
%% published by the Free Software Foundation; either version 2, or (at
%% your option) any later version.
%%
%% This program is distributed in the hope that it will be useful, but
%% WITHOUT ANY WARRANTY; without even the implied warranty of
%% MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
%% General Public License for more details.
%%
%% You should have received a copy of the GNU General Public License
%% along with this program; see the file COPYING.  If not, write to
%% the Free Software Foundation, 59 Temple Place - Suite 330, Boston,
%% MA 02111-1307, USA.

global K1 K2 P ext0 Gval dels unk zlast

deltag1 = -3.72; % kcal/mol
deltag2 = -4.49; % kcal/mol
T       = 400;   % K
P       = 2.5;   % atm
R       = 1.987; % cal/mol/K
K1 = exp(-deltag1*1000/(R*T));
K2 = exp(-deltag2*1000/(R*T));




% first optimize free energy
% min_z G(z) s.t. x_1,x_2 >0,  x_1 + x_2 < 0.5

Gval = 0;
w0 = [0.2; 0.2];
A = [1, 1];
b = 0.5;
[w, obj, info] = fmincon(@G, w0, A, b, [], [], [0;0], [0.5;0.5]);
w

if (info != 1)
  info, w, obj
end

% next prepare contour plot

Glevels = [0, -1, -2, -2.5, -2.5, -2.53, -2.55 -2.559];
nlev = length(Glevels);
alpha = [0.05, 0.05,   0.075, 0.05, 0.05, 0.05, 0.04, 0.02];
x0vec = [1e-3, 1e-3, 1e-3, .133, .133, .133, .133, .133; ...
          .02,  .15,  .35,   .3,  .3,   .3,    .3,   .3];
delx  = [0.01, 0.01, 0.01, 0.01, -0.01, 0, 0, 0; ...
            0     0,    0,    0,     0, 0, 0, 0];
sfinal = [9, 9, 9, 9, 9, 9, 9, 5];

for i = 1:nlev
  Gval = Glevels(i);
  %%  find a point on the contour corresponding to s=0
  ext0 = x0vec(:,i);
  unk = [2]; 
  x0 = ext0(unk);
  [x, fval, info] = fsolve(@Gcontour, x0);
  fsolve_failed = info <= 0;
  infovec(i) = info;
  fcnvec(:,i) = Gcontour(x);
  ext = ext0;
  ext(unk) = x;
  zlast = ext;
  extinit(:,i) = ext;
  %% continuation in arclength
  dels = alpha(i);
  svec = dels:dels:sfinal(i);
  narc =length(svec);
  z0 = ext + delx(:,i);
  unk = [1 2];
  for j = 1:narc
    s = svec(j);
    [z, fval, info] = fsolve('inflate',z0);
    fsolve_ok = info > 0;
    %% stop when contour completed
    if (z(1) > 0 && z(2) > 0 && 0.5-(z(1)+z(2)) > 0 && fsolve_ok)
      ztable{i}(:,j) = z;
      %% project initial guess along the arc for next point on contour
      z0 = 2*z - zlast;
      zlast = z;
    else
      break
    end
  end
  ztable(i) = {[ext, ztable{i}]};
  zsave = ztable{i}';
  save ('-ascii', sprintf ('contour_pentane-%d.dat', i), 'zsave');
end
feasbound = [0, 0.5; 0.5, 0];  % store boundary of feasible region
save ('-ascii', sprintf ('contour_pentane-%d.dat', nlev+1), 'feasbound');


%%plot results
  hold on;
  plot([0.5,0], [0, 0.5]); % one leg of feasible region
  for i = 1:nlev
    plot(ztable{i}(1,:), ztable{i}(2,:));
  end
title ('Figure A.2')

Gcontour.m

function retval = Gcontour(var)
  global K1 K2 P Gval ext0 unk
  w = ext0;
  w(unk) = var;
  retval = G(w);

G.m

function retval = G(w)
  global K1 K2 P Gval
  x = w(1);
  y = w(2);
  z = 0.5 - x - y;
  p = 0.5 + z;
  if (x == 0)
    xlogx = 0;
  else
    xlogx = abs(x)*log(abs(x/p));
  end
  if (y == 0)
    ylogy = 0;
  else
    ylogy = abs(y)*log(abs(y/p));
  end
  if (z == 0)
    zlogz = 0;
  else
    zlogz = abs(z)*log(abs(z/p));
  end
  retval = -Gval -(x*log(K1) + y*log(K2)) + p*log(P) + ...
     2*zlogz + xlogx + ylogy;

inflate.m

function retval = inflate(z)
  global zlast dels
  retval = [ Gcontour(z) ; norm(z-zlast) - dels^2 ];

Data files

contour_pentane-1.dat

 1.00000000e-03 2.10972632e-02
 2.62955572e-03 1.92013327e-02
 4.33079053e-03 1.73694484e-02
 6.08065828e-03 1.55839616e-02
 7.86942114e-03 1.38374430e-02
 9.69188407e-03 1.21261193e-02
 1.15450895e-02 1.04481355e-02
 1.34274700e-02 8.80294739e-03
 1.53385309e-02 7.19116382e-03
 1.72788317e-02 5.61470176e-03
 1.92502841e-02 4.07737444e-03
 2.12571066e-02 2.58651441e-03
 2.33091670e-02 1.15856195e-03

contour_pentane-2.dat

 1.00000000e-03 1.55949156e-01
 2.35234149e-03 1.53846495e-01
 3.76809463e-03 1.51785999e-01
 5.22656013e-03 1.49755512e-01
 6.71794884e-03 1.47749082e-01
 8.23643848e-03 1.45763084e-01
 9.77813369e-03 1.43795045e-01
 1.13402311e-02 1.41843161e-01
 1.29206096e-02 1.39906049e-01
 1.45176050e-02 1.37982613e-01
 1.61298741e-02 1.36071962e-01
 1.77563093e-02 1.34173354e-01
 1.93959804e-02 1.32286167e-01
 2.10480953e-02 1.30409863e-01
 2.27119705e-02 1.28543980e-01
 2.43870106e-02 1.26688113e-01
 2.60726918e-02 1.24841906e-01
 2.77685503e-02 1.23005044e-01
 2.94741722e-02 1.21177244e-01
 3.11891860e-02 1.19358253e-01
 3.29132567e-02 1.17547844e-01
 3.46460806e-02 1.15745811e-01
 3.63873815e-02 1.13951969e-01
 3.81369071e-02 1.12166147e-01
 3.98944260e-02 1.10388191e-01
 4.16597258e-02 1.08617960e-01
 4.34326270e-02 1.06855310e-01
 4.52129319e-02 1.05100139e-01
 4.70004732e-02 1.03352339e-01
 4.87950958e-02 1.01611813e-01
 5.05966555e-02 9.98784685e-02
 5.24050185e-02 9.81522240e-02
 5.42200600e-02 9.64330038e-02
 5.60416638e-02 9.47207389e-02
 5.78697216e-02 9.30153668e-02
 5.97041321e-02 9.13168306e-02
 6.15448010e-02 8.96250791e-02
 6.33916402e-02 8.79400662e-02
 6.52445674e-02 8.62617507e-02
 6.71035059e-02 8.45900964e-02
 6.89683840e-02 8.29250713e-02
 7.08391353e-02 8.12666480e-02
 7.27156974e-02 7.96148031e-02
 7.45980128e-02 7.79695175e-02
 7.64860281e-02 7.63307760e-02
 7.83796936e-02 7.46985672e-02
 8.02789639e-02 7.30728838e-02
 8.21837969e-02 7.14537221e-02
 8.40941543e-02 6.98410822e-02
 8.60100013e-02 6.82349680e-02
 8.79313064e-02 6.66353870e-02
 8.98580413e-02 6.50423506e-02
 9.17901811e-02 6.34558740e-02
 9.37277041e-02 6.18759762e-02
 9.56705916e-02 6.03026802e-02
 9.76188282e-02 5.87360128e-02
 9.95724016e-02 5.71760051e-02
 1.01531302e-01 5.56226924e-02
 1.03495525e-01 5.40761144e-02
 1.05465066e-01 5.25363151e-02
 1.07439926e-01 5.10033435e-02
 1.09420110e-01 4.94772536e-02
 1.11405623e-01 4.79581044e-02
 1.13396476e-01 4.64459604e-02
 1.15392685e-01 4.49408922e-02
 1.17394266e-01 4.34429763e-02
 1.19401242e-01 4.19522959e-02
 1.21413640e-01 4.04689414e-02
 1.23431488e-01 3.89930107e-02
 1.25454824e-01 3.75246101e-02
 1.27483686e-01 3.60638546e-02
 1.29518121e-01 3.46108692e-02
 1.31558179e-01 3.31657895e-02
 1.33603919e-01 3.17287629e-02
 1.35655405e-01 3.02999497e-02
 1.37712708e-01 2.88795247e-02
 1.39775909e-01 2.74676788e-02
 1.41845098e-01 2.60646211e-02
 1.43920374e-01 2.46705812e-02
 1.46001829e-01 2.32858259e-02
 1.48089606e-01 2.19106213e-02
 1.50183845e-01 2.05452781e-02
 1.52284704e-01 1.91901431e-02
 1.54392361e-01 1.78456054e-02
 1.56507018e-01 1.65121045e-02
 1.58628907e-01 1.51901407e-02
 1.60758294e-01 1.38802886e-02
 1.62895488e-01 1.25832144e-02
 1.65040853e-01 1.12997009e-02
 1.67194824e-01 1.00306808e-02
 1.69357923e-01 8.77728536e-03
 1.71530801e-01 7.54091808e-03
 1.73714279e-01 6.32336975e-03
 1.75909439e-01 5.12701256e-03
 1.78117776e-01 3.95515515e-03
 1.80341505e-01 2.81277654e-03
 1.82584331e-01 1.70836265e-03
 1.84854144e-01 6.60532237e-04

contour_pentane-3.dat

 1.00000000e-03 3.38812970e-01
 3.59612384e-03 3.33822903e-01
 6.41605524e-03 3.28955808e-01
 9.37878927e-03 3.24174299e-01
 1.24503900e-02 3.19461986e-01
 1.56113779e-02 3.14809161e-01
 1.88488916e-02 3.10209256e-01
 2.21537148e-02 3.05657468e-01
 2.55188759e-02 3.01150106e-01
 2.89388940e-02 2.96684224e-01
 3.24093346e-02 2.92257412e-01
 3.59265290e-02 2.87867654e-01
 3.94873871e-02 2.83513241e-01
 4.30892686e-02 2.79192700e-01
 4.67298904e-02 2.74904752e-01
 5.04072579e-02 2.70648276e-01
 5.41196139e-02 2.66422280e-01
 5.78653985e-02 2.62225886e-01
 6.16432187e-02 2.58058309e-01
 6.54518230e-02 2.53918845e-01
 6.92900822e-02 2.49806864e-01
 7.31569723e-02 2.45721795e-01
 7.70515621e-02 2.41663126e-01
 8.09730013e-02 2.37630393e-01
 8.49205115e-02 2.33623176e-01
 8.88933782e-02 2.29641096e-01
 9.28909442e-02 2.25683813e-01
 9.69126038e-02 2.21751018e-01
 1.00957798e-01 2.17842433e-01
 1.05026009e-01 2.13957812e-01
 1.09116758e-01 2.10096932e-01
 1.13229602e-01 2.06259597e-01
 1.17364130e-01 2.02445635e-01
 1.21519960e-01 1.98654897e-01
 1.25696739e-01 1.94887252e-01
 1.29894137e-01 1.91142592e-01
 1.34111850e-01 1.87420829e-01
 1.38349595e-01 1.83721891e-01
 1.42607111e-01 1.80045728e-01
 1.46884156e-01 1.76392303e-01
 1.51180506e-01 1.72761600e-01
 1.55495955e-01 1.69153619e-01
 1.59830312e-01 1.65568375e-01
 1.64183403e-01 1.62005901e-01
 1.68555071e-01 1.58466247e-01
 1.72945169e-01 1.54949478e-01
 1.77353567e-01 1.51455676e-01
 1.81780147e-01 1.47984940e-01
 1.86224804e-01 1.44537383e-01
 1.90687447e-01 1.41113139e-01
 1.95167994e-01 1.37712357e-01
 1.99666377e-01 1.34335202e-01
 2.04182540e-01 1.30981861e-01
 2.08716436e-01 1.27652534e-01
 2.13268031e-01 1.24347446e-01
 2.17837301e-01 1.21066837e-01
 2.22424233e-01 1.17810969e-01
 2.27028827e-01 1.14580127e-01
 2.31651090e-01 1.11374615e-01
 2.36291043e-01 1.08194762e-01
 2.40948715e-01 1.05040921e-01
 2.45624149e-01 1.01913471e-01
 2.50317397e-01 9.88128178e-02
 2.55028522e-01 9.57393949e-02
 2.59757598e-01 9.26936670e-02
 2.64504713e-01 8.96761304e-02
 2.69269964e-01 8.66873159e-02
 2.74053460e-01 8.37277907e-02
 2.78855323e-01 8.07981611e-02
 2.83675689e-01 7.78990752e-02
 2.88514705e-01 7.50312266e-02
 2.93372530e-01 7.21953571e-02
 2.98249340e-01 6.93922612e-02
 3.03145324e-01 6.66227904e-02
 3.08060685e-01 6.38878582e-02
 3.12995641e-01 6.11884453e-02
 3.17950428e-01 5.85256063e-02
 3.22925297e-01 5.59004762e-02
 3.27920515e-01 5.33142792e-02
 3.32936371e-01 5.07683370e-02
 3.37973167e-01 4.82640799e-02
 3.43031230e-01 4.58030582e-02
 3.48110903e-01 4.33869565e-02
 3.53212552e-01 4.10176097e-02
 3.58336563e-01 3.86970214e-02
 3.63483347e-01 3.64273863e-02
 3.68653335e-01 3.42111163e-02
 3.73846982e-01 3.20508716e-02
 3.79064766e-01 2.99495983e-02
 3.84307190e-01 2.79105747e-02
 3.89574777e-01 2.59374675e-02
 3.94868072e-01 2.40344041e-02
 4.00187639e-01 2.22060629e-02
 4.05534056e-01 2.04577926e-02
 4.10907911e-01 1.87957709e-02
 4.16309788e-01 1.72272227e-02
 4.21740260e-01 1.57607291e-02
 4.27199855e-01 1.44066835e-02
 4.32689021e-01 1.31779914e-02
 4.38208034e-01 1.20911981e-02
 4.43756826e-01 1.11684117e-02
 4.49334567e-01 1.04407930e-02
 4.54938586e-01 9.95540647e-03
 4.60561155e-01 9.79005787e-03
 4.66178150e-01 1.00900701e-02
 4.71696865e-01 1.11783768e-02
 4.76596290e-01 1.39417555e-02
 4.78173216e-01 1.93411917e-02

contour_pentane-4.dat

 1.33000000e-01 3.11802250e-01
 1.34812503e-01 3.10080357e-01
 1.36631787e-01 3.08365625e-01
 1.38457823e-01 3.06658086e-01
 1.40290594e-01 3.04957778e-01
 1.42130087e-01 3.03264744e-01
 1.43976291e-01 3.01579031e-01
 1.45829201e-01 2.99900692e-01
 1.47688816e-01 2.98229784e-01
 1.49555140e-01 2.96566372e-01
 1.51428179e-01 2.94910526e-01
 1.53307948e-01 2.93262323e-01
 1.55194463e-01 2.91621846e-01
 1.57087749e-01 2.89989187e-01
 1.58987832e-01 2.88364443e-01
 1.60894748e-01 2.86747724e-01
 1.62808537e-01 2.85139145e-01
 1.64729245e-01 2.83538833e-01
 1.66656907e-01 2.81946941e-01
 1.68591600e-01 2.80363602e-01
 1.70533393e-01 2.78788979e-01
 1.72482362e-01 2.77223246e-01
 1.74438593e-01 2.75666595e-01
 1.76402180e-01 2.74119234e-01
 1.78373228e-01 2.72581389e-01
 1.80351856e-01 2.71053307e-01
 1.82338191e-01 2.69535258e-01
 1.84332377e-01 2.68027537e-01
 1.86334574e-01 2.66530471e-01
 1.88344956e-01 2.65044414e-01
 1.90363718e-01 2.63569763e-01
 1.92391078e-01 2.62106953e-01
 1.94427274e-01 2.60656468e-01
 1.96472575e-01 2.59218851e-01
 1.98527280e-01 2.57794706e-01
 2.00591722e-01 2.56384714e-01
 2.02666278e-01 2.54989645e-01
 2.04751373e-01 2.53610377e-01
 2.06847485e-01 2.52247911e-01
 2.08955163e-01 2.50903406e-01
 2.11075032e-01 2.49578206e-01
 2.13207815e-01 2.48273891e-01
 2.15354348e-01 2.46992331e-01
 2.17515613e-01 2.45735774e-01
 2.19692767e-01 2.44506954e-01
 2.21887193e-01 2.43309251e-01
 2.24100563e-01 2.42146927e-01
 2.26334920e-01 2.41025479e-01
 2.28592809e-01 2.39952194e-01
 2.30877436e-01 2.38937070e-01
 2.33192913e-01 2.37994433e-01
 2.35544547e-01 2.37146010e-01
 2.37939033e-01 2.36427374e-01
 2.40383511e-01 2.35903417e-01
 2.42876233e-01 2.35712803e-01
 2.45324640e-01 2.36218102e-01
 2.46993178e-01 2.38079817e-01
 2.47159822e-01 2.40574246e-01
 2.46585488e-01 2.43007380e-01
 2.45677209e-01 2.45336549e-01
 2.44582065e-01 2.47583919e-01
 2.43366280e-01 2.49768380e-01
 2.42065245e-01 2.51903166e-01
 2.40700170e-01 2.53997580e-01
 2.39284838e-01 2.56058365e-01
 2.37828750e-01 2.58090558e-01
 2.36338756e-01 2.60098023e-01
 2.34819968e-01 2.62083793e-01
 2.33276306e-01 2.64050290e-01
 2.31710843e-01 2.65999475e-01
 2.30126023e-01 2.67932956e-01
 2.28523816e-01 2.69852053e-01
 2.26905817e-01 2.71757854e-01
 2.25273309e-01 2.73651242e-01
 2.23627312e-01 2.75532915e-01
 2.21968591e-01 2.77403382e-01
 2.20297639e-01 2.79262930e-01
 2.18614586e-01 2.81111533e-01
 2.16918903e-01 2.82948557e-01

contour_pentane-5.dat

 1.33000000e-01 3.11802250e-01
 1.31194304e-01 3.13531267e-01
 1.29395433e-01 3.15267400e-01
 1.27603428e-01 3.17010620e-01
 1.25818331e-01 3.18760913e-01
 1.24040182e-01 3.20518264e-01
 1.22269029e-01 3.22282667e-01
 1.20504924e-01 3.24054116e-01
 1.18747921e-01 3.25832611e-01
 1.16998082e-01 3.27618154e-01
 1.15255471e-01 3.29410752e-01
 1.13520156e-01 3.31210415e-01
 1.11792213e-01 3.33017156e-01
 1.10071719e-01 3.34830994e-01
 1.08358759e-01 3.36651948e-01
 1.06653422e-01 3.38480045e-01
 1.04955804e-01 3.40315311e-01
 1.03266004e-01 3.42157779e-01
 1.01584130e-01 3.44007486e-01
 9.99102940e-02 3.45864470e-01
 9.82446165e-02 3.47728777e-01
 9.65872239e-02 3.49600453e-01
 9.49382503e-02 3.51479552e-01
 9.32978377e-02 3.53366130e-01
 9.16661547e-02 3.55260229e-01
 9.00433413e-02 3.57161932e-01
 8.84295672e-02 3.59071313e-01
 8.68250111e-02 3.60988446e-01
 8.52298626e-02 3.62913414e-01
 8.36443228e-02 3.64846304e-01
 8.20686056e-02 3.66787209e-01
 8.05029382e-02 3.68736231e-01
 7.89475625e-02 3.70693476e-01
 7.74027366e-02 3.72659058e-01
 7.58687357e-02 3.74633100e-01
 7.43458543e-02 3.76615732e-01
 7.28344075e-02 3.78607096e-01
 7.13347335e-02 3.80607340e-01
 6.98471960e-02 3.82616627e-01
 6.83721867e-02 3.84635128e-01
 6.69101287e-02 3.86663030e-01
 6.54614803e-02 3.88700533e-01
 6.40267393e-02 3.90747853e-01
 6.26064481e-02 3.92805223e-01
 6.12011998e-02 3.94872897e-01
 5.98116456e-02 3.96951151e-01
 5.84385032e-02 3.99040285e-01
 5.70825677e-02 4.01140628e-01
 5.57447243e-02 4.03252540e-01
 5.44259645e-02 4.05376422e-01
 5.31274053e-02 4.07512714e-01
 5.18503154e-02 4.09661909e-01
 5.05961460e-02 4.11824560e-01
 4.93665736e-02 4.14001290e-01
 4.81635539e-02 4.16192806e-01
 4.69893960e-02 4.18399920e-01
 4.58468631e-02 4.20623570e-01
 4.47393141e-02 4.22864850e-01
 4.36709072e-02 4.25125051e-01
 4.26469035e-02 4.27405712e-01
 4.16741348e-02 4.29708693e-01
 4.07617597e-02 4.32036261e-01
 3.99225526e-02 4.34391198e-01
 3.91752595e-02 4.36776896e-01
 3.85492976e-02 4.39197262e-01
 3.80952852e-02 4.41655691e-01
 3.79125660e-02 4.44149007e-01
 3.82353403e-02 4.46628083e-01
 3.96362620e-02 4.48698694e-01
 4.20647989e-02 4.49292203e-01
 4.45179043e-02 4.48810249e-01
 4.68383880e-02 4.47880001e-01
 4.90540829e-02 4.46722116e-01
 5.11921001e-02 4.45426395e-01
 5.32707537e-02 4.44037438e-01
 5.53024083e-02 4.42580598e-01
 5.72956623e-02 4.41071645e-01
 5.92566599e-02 4.39521004e-01
 6.11898430e-02 4.37935821e-01
 6.30983587e-02 4.36321025e-01
 6.49841808e-02 4.34679783e-01
 6.68477327e-02 4.33013297e-01

contour_pentane-6.dat

 1.33000000e-01 3.25115658e-01
 1.33000000e-01 3.25115658e-01
 1.34806283e-01 3.23387266e-01
 1.36621202e-01 3.21667943e-01
 1.38444753e-01 3.19957778e-01
 1.40276940e-01 3.18256870e-01
 1.42117783e-01 3.16565333e-01
 1.43967309e-01 3.14883294e-01
 1.45825560e-01 3.13210900e-01
 1.47692591e-01 3.11548314e-01
 1.49568471e-01 3.09895716e-01
 1.51453281e-01 3.08253313e-01
 1.53347123e-01 3.06621332e-01
 1.55250113e-01 3.05000027e-01
 1.57162388e-01 3.03389684e-01
 1.59084105e-01 3.01790621e-01
 1.61015446e-01 3.00203194e-01
 1.62956619e-01 2.98627806e-01
 1.64907862e-01 2.97064909e-01
 1.66869448e-01 2.95515012e-01
 1.68841689e-01 2.93978696e-01
 1.70824941e-01 2.92456621e-01
 1.72819616e-01 2.90949547e-01
 1.74826186e-01 2.89458347e-01
 1.76845198e-01 2.87984038e-01
 1.78877291e-01 2.86527811e-01
 1.80923211e-01 2.85091074e-01
 1.82983840e-01 2.83675514e-01
 1.85060227e-01 2.82283171e-01
 1.87153638e-01 2.80916559e-01
 1.89265618e-01 2.79578823e-01
 1.91398082e-01 2.78273985e-01
 1.93553444e-01 2.77007331e-01
 1.95734823e-01 2.75786027e-01
 1.97946347e-01 2.74620195e-01
 2.00193656e-01 2.73524933e-01
 2.02484733e-01 2.72524449e-01
 2.04831217e-01 2.71661885e-01
 2.07249451e-01 2.71027725e-01
 2.09744642e-01 2.70872736e-01
 2.11908031e-01 2.72125630e-01
 2.12174002e-01 2.74611443e-01
 2.11508704e-01 2.77021294e-01
 2.10508660e-01 2.79312563e-01
 2.09336093e-01 2.81520526e-01
 2.08056051e-01 2.83667965e-01
 2.06701465e-01 2.85769178e-01
 2.05291503e-01 2.87833641e-01
 2.03838416e-01 2.89867981e-01
 2.02350570e-01 2.91877039e-01
 2.00833967e-01 2.93864479e-01
 1.99293082e-01 2.95833152e-01
 1.97731355e-01 2.97785332e-01
 1.96151495e-01 2.99722868e-01
 1.94555684e-01 3.01647286e-01
 1.92945708e-01 3.03559870e-01
 1.91323051e-01 3.05461707e-01
 1.89688964e-01 3.07353732e-01
 1.88044511e-01 3.09236755e-01
 1.86390611e-01 3.11111485e-01
 1.84728058e-01 3.12978547e-01
 1.83057551e-01 3.14838494e-01
 1.81379702e-01 3.16691822e-01
 1.79695058e-01 3.18538976e-01
 1.78004107e-01 3.20380356e-01
 1.76307285e-01 3.22216329e-01
 1.74604988e-01 3.24047226e-01
 1.72897574e-01 3.25873352e-01
 1.71185369e-01 3.27694987e-01
 1.69468672e-01 3.29512390e-01
 1.67747756e-01 3.31325798e-01
 1.66022875e-01 3.33135435e-01
 1.64294261e-01 3.34941506e-01
 1.62562131e-01 3.36744213e-01
 1.60826680e-01 3.38543720e-01
 1.59088097e-01 3.40340203e-01
 1.57346556e-01 3.42133817e-01
 1.55602217e-01 3.43924709e-01
 1.53855227e-01 3.45713016e-01
 1.52105724e-01 3.47498864e-01
 1.50353832e-01 3.49282367e-01
 1.48599664e-01 3.51063632e-01
 1.46843320e-01 3.52842752e-01
 1.45084887e-01 3.54619806e-01
 1.43324437e-01 3.56394862e-01
 1.41562025e-01 3.58167970e-01
 1.39797692e-01 3.59939166e-01
 1.38031457e-01 3.61708466e-01
 1.36263320e-01 3.63475865e-01
 1.34493263e-01 3.65241340e-01
 1.32721243e-01 3.67004846e-01
 1.30947198e-01 3.68766315e-01
 1.29171044e-01 3.70525658e-01
 1.27392676e-01 3.72282763e-01
 1.25611969e-01 3.74037497e-01
 1.23828776e-01 3.75789706e-01
 1.22042932e-01 3.77539213e-01
 1.20254248e-01 3.79285817e-01
 1.18462516e-01 3.81029296e-01
 1.16667505e-01 3.82769399e-01
 1.14868958e-01 3.84505839e-01
 1.13066601e-01 3.86238326e-01
 1.11260118e-01 3.87966510e-01
 1.09449166e-01 3.89690010e-01
 1.07633364e-01 3.91408400e-01
 1.05812290e-01 3.93121201e-01
 1.03985471e-01 3.94827874e-01
 1.02152377e-01 3.96527805e-01
 1.00312410e-01 3.98220295e-01
 9.84648908e-02 3.99904538e-01
 9.66090440e-02 4.01579600e-01
 9.47439749e-02 4.03244387e-01
 9.28686436e-02 4.04897606e-01
 9.09818288e-02 4.06537707e-01
 8.90820800e-02 4.08162808e-01
 8.71676513e-02 4.09770590e-01
 8.52364090e-02 4.11358136e-01
 8.32856988e-02 4.12921699e-01
 8.13121477e-02 4.14456331e-01
 7.93113582e-02 4.15955278e-01
 7.72774147e-02 4.17408920e-01
 7.52020433e-02 4.18802776e-01
 7.30730931e-02 4.20113338e-01
 7.08716251e-02 4.21298051e-01
 6.85664506e-02 4.22265639e-01
 6.61146692e-02 4.22754276e-01
 6.38195797e-02 4.21763030e-01
 6.32002589e-02 4.19340959e-01
 6.34859088e-02 4.16857331e-01
 6.41250890e-02 4.14440422e-01
 6.49557949e-02 4.12082472e-01
 6.59106842e-02 4.09772020e-01
 6.69549290e-02 4.07500555e-01
 6.80679372e-02 4.05261982e-01
 6.92363851e-02 4.03051839e-01
 7.04510791e-02 4.00866772e-01
 7.17053612e-02 3.98704186e-01
 7.29942252e-02 3.96562031e-01
 7.43137922e-02 3.94438651e-01
 7.56609819e-02 3.92332688e-01
 7.70332980e-02 3.90243011e-01
 7.84286824e-02 3.88168668e-01
 7.98454130e-02 3.86108844e-01
 8.12820310e-02 3.84062841e-01
 8.27372867e-02 3.82030052e-01
 8.42100993e-02 3.80009947e-01
 8.56995263e-02 3.78002061e-01
 8.72047397e-02 3.76005981e-01
 8.87250074e-02 3.74021344e-01
 9.02596780e-02 3.72047823e-01
 9.18081694e-02 3.70085127e-01
 9.33699588e-02 3.68132996e-01
 9.49445749e-02 3.66191197e-01
 9.65315914e-02 3.64259519e-01
 9.81306214e-02 3.62337775e-01
 9.97413130e-02 3.60425793e-01
 1.01363345e-01 3.58523423e-01
 1.02996425e-01 3.56630529e-01
 1.04640285e-01 3.54746988e-01
 1.06294679e-01 3.52872693e-01
 1.07959383e-01 3.51007550e-01
 1.09634191e-01 3.49151474e-01
 1.11318916e-01 3.47304394e-01
 1.13013384e-01 3.45466250e-01
 1.14717440e-01 3.43636989e-01
 1.16430939e-01 3.41816572e-01
 1.18153753e-01 3.40004967e-01
 1.19885765e-01 3.38202153e-01
 1.21626868e-01 3.36408119e-01
 1.23376970e-01 3.34622862e-01
 1.25135987e-01 3.32846388e-01
 1.26903849e-01 3.31078716e-01
 1.28680494e-01 3.29319872e-01
 1.30465870e-01 3.27569891e-01
 1.32259937e-01 3.25828822e-01
 1.34062666e-01 3.24096722e-01
 1.35874036e-01 3.22373661e-01
 1.37694038e-01 3.20659721e-01
 1.39522673e-01 3.18954994e-01
 1.41359955e-01 3.17259589e-01
 1.43205907e-01 3.15573629e-01

contour_pentane-7.dat

 1.33000000e-01 3.37462318e-01
 1.33000002e-01 3.37462319e-01
 1.34151402e-01 3.36351337e-01
 1.35308310e-01 3.35246094e-01
 1.36470753e-01 3.34146672e-01
 1.37638760e-01 3.33053165e-01
 1.38812377e-01 3.31965680e-01
 1.39991657e-01 3.30884338e-01
 1.41176666e-01 3.29809279e-01
 1.42367485e-01 3.28740658e-01
 1.43564207e-01 3.27678652e-01
 1.44766942e-01 3.26623462e-01
 1.45975818e-01 3.25575311e-01
 1.47190982e-01 3.24534458e-01
 1.48412604e-01 3.23501191e-01
 1.49640879e-01 3.22475842e-01
 1.50876032e-01 3.21458788e-01
 1.52118322e-01 3.20450465e-01
 1.53368049e-01 3.19451375e-01
 1.54625562e-01 3.18462102e-01
 1.55891267e-01 3.17483331e-01
 1.57165640e-01 3.16515875e-01
 1.58449247e-01 3.15560702e-01
 1.59742760e-01 3.14618989e-01
 1.61046993e-01 3.13692180e-01
 1.62362943e-01 3.12782082e-01
 1.63691845e-01 3.11891006e-01
 1.65035269e-01 3.11021975e-01
 1.66395245e-01 3.10179086e-01
 1.67774488e-01 3.09368105e-01
 1.69176744e-01 3.08597599e-01
 1.70607420e-01 3.07881244e-01
 1.72074725e-01 3.07243265e-01
 1.73591566e-01 3.06734147e-01
 1.75173447e-01 3.06494042e-01
 1.76644173e-01 3.07124093e-01
 1.76859691e-01 3.08709519e-01
 1.76439509e-01 3.10253361e-01
 1.75807372e-01 3.11723192e-01
 1.75067860e-01 3.13142039e-01
 1.74261704e-01 3.14524107e-01
 1.73409285e-01 3.15878132e-01
 1.72522402e-01 3.17209837e-01
 1.71608572e-01 3.18523197e-01
 1.70672915e-01 3.19821098e-01
 1.69719102e-01 3.21105714e-01
 1.68749860e-01 3.22378731e-01
 1.67767287e-01 3.23641486e-01
 1.66773028e-01 3.24895060e-01
 1.65768405e-01 3.26140345e-01
 1.64754499e-01 3.27378082e-01
 1.63732202e-01 3.28608898e-01
 1.62702263e-01 3.29833327e-01
 1.61665316e-01 3.31051827e-01
 1.60621903e-01 3.32264794e-01
 1.59572492e-01 3.33472575e-01
 1.58517485e-01 3.34675472e-01
 1.57457236e-01 3.35873751e-01
 1.56392048e-01 3.37067660e-01
 1.55322193e-01 3.38257387e-01
 1.54247915e-01 3.39443120e-01
 1.53169425e-01 3.40625021e-01
 1.52086907e-01 3.41803234e-01
 1.51000528e-01 3.42977885e-01
 1.49910431e-01 3.44149088e-01
 1.48816746e-01 3.45316939e-01
 1.47719583e-01 3.46481524e-01
 1.46619042e-01 3.47642916e-01
 1.45515207e-01 3.48801177e-01
 1.44408150e-01 3.49956358e-01
 1.43297932e-01 3.51108503e-01
 1.42184604e-01 3.52257641e-01
 1.41068204e-01 3.53403795e-01
 1.39948763e-01 3.54546979e-01
 1.38826300e-01 3.55687196e-01
 1.37700825e-01 3.56824440e-01
 1.36572339e-01 3.57958696e-01
 1.35440833e-01 3.59089940e-01
 1.34306287e-01 3.60218135e-01
 1.33168673e-01 3.61343236e-01
 1.32027952e-01 3.62465187e-01
 1.30884072e-01 3.63583919e-01
 1.29736973e-01 3.64699349e-01
 1.28586580e-01 3.65811383e-01
 1.27432807e-01 3.66919909e-01
 1.26275551e-01 3.68024801e-01
 1.25114697e-01 3.69125911e-01
 1.23950109e-01 3.70223073e-01
 1.22781634e-01 3.71316096e-01
 1.21609098e-01 3.72404762e-01
 1.20432301e-01 3.73488823e-01
 1.19251016e-01 3.74567994e-01
 1.18064984e-01 3.75641948e-01
 1.16873917e-01 3.76710292e-01
 1.15677473e-01 3.77772611e-01
 1.14475256e-01 3.78828393e-01
 1.13266813e-01 3.79877043e-01
 1.12051615e-01 3.80917857e-01
 1.10829042e-01 3.81949997e-01
 1.09598355e-01 3.82972450e-01
 1.08358671e-01 3.83983976e-01
 1.07108918e-01 3.84983034e-01
 1.05847772e-01 3.85967671e-01
 1.04573568e-01 3.86935351e-01
 1.03284171e-01 3.87882692e-01
 1.01976756e-01 3.88805009e-01
 1.00647468e-01 3.89695509e-01
 9.92907976e-02 3.90543711e-01
 9.78984409e-02 3.91331965e-01
 9.64569992e-02 3.92026407e-01
 9.49438538e-02 3.92546398e-01
 9.33449426e-02 3.92605327e-01
 9.23293886e-02 3.91368935e-01
 9.24034635e-02 3.89770652e-01
 9.28234709e-02 3.88226763e-01
 9.33966205e-02 3.86732941e-01
 9.40594921e-02 3.85276712e-01
 9.47831007e-02 3.83849691e-01
 9.55515601e-02 3.82446312e-01
 9.63551049e-02 3.81062724e-01
 9.71872451e-02 3.79696144e-01
 9.80434156e-02 3.78344488e-01
 9.89202639e-02 3.77006155e-01
 9.98152439e-02 3.75679878e-01
 1.00726368e-01 3.74364639e-01
 1.01652052e-01 3.73059607e-01
 1.02591005e-01 3.71764089e-01
 1.03542164e-01 3.70477505e-01
 1.04504639e-01 3.69199365e-01
 1.05477676e-01 3.67929247e-01
 1.06460631e-01 3.66666790e-01
 1.07452950e-01 3.65411679e-01
 1.08454151e-01 3.64163642e-01
 1.09463813e-01 3.62922440e-01
 1.10481567e-01 3.61687864e-01
 1.11507085e-01 3.60459731e-01
 1.12540080e-01 3.59237879e-01
 1.13580294e-01 3.58022167e-01
 1.14627497e-01 3.56812471e-01
 1.15681486e-01 3.55608682e-01
 1.16742077e-01 3.54410706e-01
 1.17809108e-01 3.53218462e-01
 1.18882431e-01 3.52031880e-01
 1.19961918e-01 3.50850902e-01
 1.21047452e-01 3.49675481e-01
 1.22138930e-01 3.48505576e-01
 1.23236261e-01 3.47341161e-01
 1.24339367e-01 3.46182214e-01
 1.25448179e-01 3.45028726e-01
 1.26562639e-01 3.43880693e-01
 1.27682698e-01 3.42738122e-01
 1.28808317e-01 3.41601029e-01
 1.29939466e-01 3.40469436e-01
 1.31076125e-01 3.39343378e-01
 1.32218280e-01 3.38222895e-01
 1.33365930e-01 3.37108041e-01
 1.34519081e-01 3.35998878e-01
 1.35677749e-01 3.34895479e-01
 1.36841959e-01 3.33797930e-01
 1.38011747e-01 3.32706327e-01
 1.39187160e-01 3.31620784e-01
 1.40368256e-01 3.30541426e-01
 1.41555105e-01 3.29468398e-01
 1.42747792e-01 3.28401863e-01
 1.43946416e-01 3.27342004e-01
 1.45151091e-01 3.26289028e-01
 1.46361952e-01 3.25243172e-01
 1.47579152e-01 3.24204700e-01
 1.48802869e-01 3.23173916e-01
 1.50033307e-01 3.22151164e-01
 1.51270702e-01 3.21136839e-01
 1.52515325e-01 3.20131397e-01
 1.53767490e-01 3.19135364e-01
 1.55027564e-01 3.18149355e-01
 1.56295973e-01 3.17174091e-01
 1.57573219e-01 3.16210430e-01
 1.58859900e-01 3.15259403e-01
 1.60156730e-01 3.14322263e-01
 1.61464575e-01 3.13400557e-01
 1.62784500e-01 3.12496235e-01
 1.64117836e-01 3.11611806e-01
 1.65466281e-01 3.10750588e-01
 1.66832056e-01 3.09917126e-01
 1.68218154e-01 3.09117920e-01
 1.69628766e-01 3.08362821e-01
 1.71070033e-01 3.07668020e-01
 1.72551422e-01 3.07063462e-01
 1.74087662e-01 3.06616271e-01
 1.75685860e-01 3.06540344e-01
 1.76852885e-01 3.07634905e-01
 1.76756552e-01 3.09232008e-01
 1.76245691e-01 3.10748264e-01
 1.75571091e-01 3.12199102e-01
 1.74806324e-01 3.13604497e-01
 1.73983103e-01 3.14976469e-01
 1.73118199e-01 3.16322553e-01
 1.72221680e-01 3.17647789e-01
 1.71300120e-01 3.18955737e-01
 1.70358082e-01 3.20249014e-01
 1.69398879e-01 3.21529611e-01
 1.68425004e-01 3.22799086e-01
 1.67438385e-01 3.24058683e-01
 1.66440552e-01 3.25309415e-01
 1.65432738e-01 3.26552117e-01
 1.64415954e-01 3.27787492e-01
 1.63391043e-01 3.29016132e-01
 1.62358712e-01 3.30238545e-01
 1.61319562e-01 3.31455166e-01
 1.60274109e-01 3.32666376e-01
 1.59222798e-01 3.33872504e-01
 1.58166014e-01 3.35073840e-01
 1.57104089e-01 3.36270653e-01
 1.56037320e-01 3.37463149e-01
 1.54965971e-01 3.38651530e-01
 1.53890273e-01 3.39835974e-01
 1.52810425e-01 3.41016635e-01
 1.51726608e-01 3.42193652e-01
 1.50638979e-01 3.43367147e-01
 1.49547678e-01 3.44537227e-01
 1.48452826e-01 3.45703984e-01
 1.47354532e-01 3.46867501e-01
 1.46252888e-01 3.48027847e-01
 1.45147976e-01 3.49185081e-01
 1.44039863e-01 3.50339250e-01
 1.42928607e-01 3.51490393e-01
 1.41814255e-01 3.52638538e-01

contour_pentane-8.dat

 1.33000000e-01 3.48868674e-01
 1.33000003e-01 3.48868677e-01
 1.33286140e-01 3.48589168e-01
 1.33573936e-01 3.48311357e-01
 1.33863413e-01 3.48035297e-01
 1.34154599e-01 3.47761040e-01
 1.34447527e-01 3.47488655e-01
 1.34742248e-01 3.47218212e-01
 1.35038823e-01 3.46949803e-01
 1.35337322e-01 3.46683536e-01
 1.35637833e-01 3.46419541e-01
 1.35940459e-01 3.46157974e-01
 1.36245327e-01 3.45899023e-01
 1.36552590e-01 3.45642919e-01
 1.36862437e-01 3.45389947e-01
 1.37175103e-01 3.45140467e-01
 1.37490881e-01 3.44894939e-01
 1.37810151e-01 3.44653969e-01
 1.38133412e-01 3.44418379e-01
 1.38461341e-01 3.44189332e-01
 1.38794897e-01 3.43968560e-01
 1.39135515e-01 3.43758848e-01
 1.39485511e-01 3.43565190e-01
 1.39849031e-01 3.43398297e-01
 1.40234265e-01 3.43290618e-01
 1.40598947e-01 3.43454952e-01
 1.40574017e-01 3.43854176e-01
 1.40432775e-01 3.44228411e-01
 1.40253125e-01 3.44585800e-01
 1.40053080e-01 3.44932184e-01
 1.39839889e-01 3.45270636e-01
 1.39617276e-01 3.45602967e-01
 1.39387443e-01 3.45930345e-01
 1.39151813e-01 3.46253577e-01
 1.38911369e-01 3.46573243e-01
 1.38666817e-01 3.46889778e-01
 1.38418689e-01 3.47203517e-01
 1.38167392e-01 3.47514725e-01
 1.37913248e-01 3.47823611e-01
 1.37656514e-01 3.48130348e-01
 1.37397398e-01 3.48435076e-01
 1.37136072e-01 3.48737910e-01
 1.36872678e-01 3.49038948e-01
 1.36607331e-01 3.49338276e-01
 1.36340131e-01 3.49635951e-01
 1.36071163e-01 3.49932029e-01
 1.35800496e-01 3.50226554e-01
 1.35528188e-01 3.50519561e-01
 1.35254286e-01 3.50811078e-01
 1.34978827e-01 3.51101125e-01
 1.34701842e-01 3.51389714e-01
 1.34423352e-01 3.51676851e-01
 1.34143372e-01 3.51962536e-01
 1.33861912e-01 3.52246761e-01
 1.33578971e-01 3.52529514e-01
 1.33294546e-01 3.52810773e-01
 1.33008624e-01 3.53090511e-01
 1.32721186e-01 3.53368691e-01
 1.32432206e-01 3.53645269e-01
 1.32141649e-01 3.53920191e-01
 1.31849471e-01 3.54193390e-01
 1.31555619e-01 3.54464788e-01
 1.31260031e-01 3.54734283e-01
 1.30962626e-01 3.55001771e-01
 1.30663306e-01 3.55267117e-01
 1.30361959e-01 3.55530156e-01
 1.30058443e-01 3.55790691e-01
 1.29752592e-01 3.56048478e-01
 1.29444195e-01 3.56303217e-01
 1.29132995e-01 3.56554523e-01
 1.28818664e-01 3.56801901e-01
 1.28500778e-01 3.57044693e-01
 1.28178773e-01 3.57281997e-01
 1.27851876e-01 3.57512515e-01
 1.27518973e-01 3.57734271e-01
 1.27178362e-01 3.57943994e-01
 1.26827206e-01 3.58135539e-01
 1.26460191e-01 3.58294603e-01
 1.26067146e-01 3.58368886e-01
 1.25803973e-01 3.58067654e-01
 1.25882693e-01 3.57675474e-01
 1.26034994e-01 3.57305593e-01
 1.26217868e-01 3.56949844e-01
 1.26418406e-01 3.56603745e-01
 1.26630894e-01 3.56264851e-01
 1.26852216e-01 3.55931660e-01
 1.27080467e-01 3.55603176e-01
 1.27314381e-01 3.55278701e-01
 1.27553072e-01 3.54957723e-01
 1.27795889e-01 3.54639856e-01
 1.28042343e-01 3.54324799e-01
 1.28292049e-01 3.54012315e-01
 1.28544707e-01 3.53702211e-01
 1.28800072e-01 3.53394334e-01
 1.29057945e-01 3.53088553e-01
 1.29318161e-01 3.52784765e-01
 1.29580585e-01 3.52482881e-01
 1.29845101e-01 3.52182829e-01
 1.30111614e-01 3.51884550e-01
 1.30380047e-01 3.51587986e-01
 1.30650331e-01 3.51293107e-01
 1.30922407e-01 3.50999883e-01
 1.31196229e-01 3.50708289e-01
 1.31471760e-01 3.50418309e-01
 1.31748971e-01 3.50129935e-01
 1.32027839e-01 3.49843164e-01
 1.32308350e-01 3.49557999e-01
 1.32590495e-01 3.49274451e-01
 1.32874273e-01 3.48992537e-01
 1.33159688e-01 3.48712281e-01
 1.33446753e-01 3.48433714e-01
 1.33735486e-01 3.48156877e-01
 1.34025914e-01 3.47881817e-01
 1.34318070e-01 3.47608594e-01
 1.34611995e-01 3.47337285e-01
 1.34907743e-01 3.47067966e-01
 1.35205384e-01 3.46800740e-01
 1.35504996e-01 3.46535725e-01
 1.35806674e-01 3.46273065e-01
 1.36110536e-01 3.46012934e-01
 1.36416721e-01 3.45755542e-01
 1.36725403e-01 3.45501149e-01
 1.37036792e-01 3.45250079e-01
 1.37351156e-01 3.45002742e-01
 1.37668832e-01 3.44759675e-01
 1.37990261e-01 3.44521592e-01
 1.38316032e-01 3.44289486e-01
 1.38646963e-01 3.44064797e-01
 1.38984245e-01 3.43849761e-01
 1.39329734e-01 3.43648173e-01
 1.39686587e-01 3.43467464e-01
 1.40060863e-01 3.43326324e-01
 1.40460453e-01 3.43308225e-01
 1.40611188e-01 3.43678742e-01
 1.40502608e-01 3.44063726e-01
 1.40336624e-01 3.44427667e-01
 1.40144438e-01 3.44778473e-01
 1.39936524e-01 3.45120192e-01
 1.39717785e-01 3.45455085e-01
 1.39490968e-01 3.45784560e-01
 1.39257787e-01 3.46109562e-01
 1.39019393e-01 3.46430761e-01
 1.38776603e-01 3.46748649e-01
 1.38530017e-01 3.47063602e-01
 1.38280092e-01 3.47375912e-01
 1.38027186e-01 3.47685813e-01
 1.37771581e-01 3.47993492e-01
 1.37513507e-01 3.48299102e-01
 1.37253150e-01 3.48602770e-01
 1.36990664e-01 3.48904600e-01
 1.36726179e-01 3.49204679e-01
 1.36459797e-01 3.49503086e-01
 1.36191610e-01 3.49799872e-01
 1.35921695e-01 3.50095086e-01
 1.35650114e-01 3.50388768e-01
 1.35376919e-01 3.50680948e-01
 1.35102152e-01 3.50971650e-01
 1.34825846e-01 3.51260890e-01
 1.34548026e-01 3.51548675e-01
 1.34268711e-01 3.51835010e-01
 1.33987912e-01 3.52119889e-01
 1.33705633e-01 3.52403302e-01
 1.33421873e-01 3.52685232e-01
 1.33136622e-01 3.52965654e-01
 1.32849864e-01 3.53244535e-01
 1.32561577e-01 3.53521836e-01
 1.32271730e-01 3.53797505e-01
 1.31980283e-01 3.54071483e-01
 1.31687186e-01 3.54343697e-01
 1.31392381e-01 3.54614060e-01
 1.31095798e-01 3.54882459e-01
 1.30797347e-01 3.55148781e-01
 1.30496921e-01 3.55412873e-01
 1.30194394e-01 3.55674554e-01
 1.29889610e-01 3.55933603e-01
 1.29582379e-01 3.56189747e-01
 1.29272469e-01 3.56442641e-01
 1.28959583e-01 3.56691845e-01
 1.28643346e-01 3.56936782e-01
 1.28323263e-01 3.57176671e-01
 1.27998666e-01 3.57410417e-01
 1.27668616e-01 3.57636396e-01
 1.27331715e-01 3.57852030e-01
 1.26985734e-01 3.58052771e-01
 1.26626725e-01 3.58229161e-01
 1.26246811e-01 3.58354319e-01
 1.25856544e-01 3.58266616e-01
 1.25651983e-01 3.58608880e-01
 1.25290957e-01 3.58774621e-01
 1.25609329e-01 3.58530584e-01
 1.25965616e-01 3.58348760e-01
 1.26364931e-01 3.58325333e-01
 1.26737297e-01 3.58179235e-01
 1.27091771e-01 3.57993900e-01
 1.27434687e-01 3.57787965e-01
 1.27769324e-01 3.57568835e-01
 1.28097600e-01 3.57340285e-01
 1.28420744e-01 3.57104535e-01
 1.28739599e-01 3.56863017e-01
 1.29054774e-01 3.56616715e-01
 1.29366723e-01 3.56366339e-01
 1.29675793e-01 3.56112419e-01
 1.29982259e-01 3.55855361e-01
 1.30286341e-01 3.55595488e-01
 1.30588216e-01 3.55333054e-01
 1.30888031e-01 3.55068269e-01
 1.31185904e-01 3.54801302e-01
 1.31481937e-01 3.54532296e-01
 1.31776212e-01 3.54261367e-01
 1.32068805e-01 3.53988612e-01
 1.32359763e-01 3.53714113e-01
 1.32649134e-01 3.53437943e-01
 1.32936954e-01 3.53160159e-01
 1.33223253e-01 3.52880806e-01
 1.33508051e-01 3.52599924e-01
 1.33791361e-01 3.52317542e-01
 1.34073192e-01 3.52033683e-01
 1.34353542e-01 3.51748362e-01
 1.34632405e-01 3.51461587e-01
 1.34909768e-01 3.51173361e-01
 1.35185610e-01 3.50883680e-01
 1.35459905e-01 3.50592532e-01
 1.35732615e-01 3.50299899e-01
 1.36003696e-01 3.50005757e-01
 1.36273094e-01 3.49710071e-01
 1.36540743e-01 3.49412800e-01
 1.36806563e-01 3.49113893e-01
 1.37070460e-01 3.48813285e-01
 1.37332313e-01 3.48510906e-01
 1.37591995e-01 3.48206661e-01
 1.37849342e-01 3.47900439e-01
 1.38104155e-01 3.47592104e-01
 1.38356191e-01 3.47281494e-01
 1.38605145e-01 3.46968410e-01
 1.38850634e-01 3.46652601e-01
 1.39092163e-01 3.46333754e-01
 1.39329075e-01 3.46011461e-01
 1.39560468e-01 3.45685183e-01
 1.39785052e-01 3.45354182e-01
 1.40000867e-01 3.45017397e-01
 1.40204681e-01 3.44673217e-01
 1.40390460e-01 3.44318977e-01
 1.40544328e-01 3.43949753e-01
 1.40616856e-01 3.43556381e-01
 1.40322782e-01 3.43285233e-01
 1.39931328e-01 3.43367481e-01
 1.39563944e-01 3.43525686e-01
 1.39211430e-01 3.43714720e-01
 1.38868995e-01 3.43921453e-01
 1.38534034e-01 3.44140088e-01
 1.38204964e-01 3.44367494e-01

contour_pentane-9.dat

 0.00000000e+00 5.00000000e-01
 5.00000000e-01 0.00000000e+00