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is a program to calculate activity coefficients of liquids using the UNIFAC model Copyright (C) 2000 Preben Randhol and Hilde K Engelien 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 of the License, 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; if not, write to the Free Software Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA. XLUNIFAC version 1.0 To contact Preben Randhol write an e-mail to [email protected]
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Page 1: unifac

is a program to calculate activity coefficientsof liquids using the UNIFAC model

Copyright (C) 2000 Preben Randhol and Hilde K Engelien

This program is free software; you can redistribute it and/or modifyit under the terms of the GNU General Public License as published bythe Free Software Foundation; either version 2 of the License, 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 ofMERCHANTABILITY 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 Licensealong with this program; if not, write to the Free SoftwareFoundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA.

XLUNIFAC version 1.0

To contact Preben Randhol write an e-mail to [email protected]

Page 2: unifac

Here is a short introduction to the use of this program. Please refer to the documentation for more information about the use of this program and theUNIFAC model used in this program

Navigation

This workbook is divided into several worksheets. In order to jump to aspecific worksheet just press on the tab on the bottom of the window with thename of the worksheet you seek. For instance if you want to look at thecombinatorial calculations just press the tab named "Calc Combinatorial Part".If you do not see the tab you are looking for you can scroll the row of tabs bypressing the arrows left of all the tabs, until the tab appears.

Calculation

To calculate activity coefficients you must first input the components, theirmole fractions and the temperature. To do this you have to go to theworksheet named "Calculation".

A mixture can contain up to 15 components. To specify a component you press thebutton with the arrow and choose the component from the list. Note that thecomponent needs to have been pre-defined in the "Define Component" worksheet.You can also click in the field to the left of the button and start typing thename of the component until it appears in that field.

Now you can specify the mole fractions of the components. It is possible toinput up to 5 different mixtures of the components chosen. These will becalculated simultaneously. If you for a component choose a mole fraction equalto zero, it will cancel out in the calculations and the activity coefficientwill not be calculated for that component. So if you want to calculate onemixture with and one without a component you can set the component's molefraction in the one mixture to zero and the desired mole fraction in the othermixture and then calculate the results.

After entering the mole fractions you must also enter the temperature, inKelvin, for the calculation.

the activity coefficients and the results appear at the bottom of theCalculation worksheet. Note that if you have just selected a component you

If you want to look at the intermediate calculations such as the combinatorialand residual part of the activity coefficient, simply click on the appropriatetab. For example if you want to look at the the residual part you click on thetab marked "Calc Residual Part".

Welcome to XLUNIFAC version 1.0.

Now you simply press the key marked F9 on your keyboard to calculate

need to press with the mouse somewhere else in the worksheet before pressing F9.

Page 3: unifac

To understand the tables in the "Calc Residual Part (Pure)" worksheet you willhave to compare the subgroup table with the other tables to find out whichsubgroup the variables are calculated. This does not apply for the residualpart of the activity coefficient.

Defining new components

To add a new component you need to press the tab marked "Define Component".In this worksheet you will find a long table where components are defined.

To add a new component you need to go to the first empty name field. Pleasenote that you must not skip a name field when adding a new component. Thereason is that the program only reads this table until it reaches an empty namefield due to speed considerations of the calculations.

To define the component you enter its name in the yellow name field and then inthe row below you start defining the subgroups of the component. A list of thenames of the various subgroups can be found in the worksheet labelled "TableRk, Qk". You type in the name of the first subgroup and then in the celldirectly below you specify how many of that subgroup is present in thecomponent. Then you give the next subgroup and so on. So if you wanted todefine the component benzene you would have to write subgroup name ACH and thatthere are 6 of that subgroup in benzene. Note that the subgroups must bedefined from the left to the right without skipping any cells as the programonly reads until it encounters an empty cell.

This may take some time for the program to finish.

Adding a new subgroup

To add a new subgroup go to the worksheet "Table Rk,Qk''. Here you will finda rather long table of main groups, subgroups and Rk and Qk parameters.

Go to the right cell in the table where the new subgroup should go and enterits name as well as its Rk and Qk parameters and the number of the main groupit is part of. Note that if the main group is also new, you will have to addthe interaction parameters as well as explained in the next subsection.

Be sure to put the subgroup in the right place according to the literaturetables. It is not arbitrary where you place it.

Adding interaction parameters

You add the interaction parameters in the worksheet "Table Interaction". Inthis worksheet there is a large table of interaction parameters. Remember that

group m and n.

The name of the main group can be defined right before the first column in them'th row. The name will then be automatically copied in the m'th column in the row

Now it is very important that you SAVE the workbook. After that you must pressthe key F9 on your keyboard so that the program can read your new component.

Now SAVE the workbook and then press the key F9 on your keyboard.

amn =/= anm so you will have to enter both interaction parameters for main

Page 4: unifac

just over the first row.

Now SAVE the workbook and then press the key F9 on your keyboard.

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Components TemperatureNo Do not choose "[n/a]" 1 2 3 4 5

1 17 4.7000E-02 307 K2 13 9.5300E-013 -14 -15 -16 -17 -1 to calculate the result8 -19 -1 NB: After selecting a component, you must

10 -111 -112 -113 -114 -115 -1

1.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00

No 1 2 3 4 5 1 2 3 4 51 #VALUE! #VALUE!2 #VALUE! #VALUE!3456789

1011121314

Molefractions (of up to five different mixtures)

T =

Press the F9 key

click in this sheet before pressing F9

S( x_i )

ln gi Activity coefficient, gi

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15

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Component Table

Name: water r: #VALUE!Sub group: H2O

No of subgr: 1#VALUE! -1 -1 -1 -1

Name: benzene r: #VALUE!Sub group: ACH

No of subgr: 6#VALUE! -1 -1 -1 -1

Name: ethanol r: #VALUE!Sub group: CH3 CH2 OH

No of subgr: 1 1 1#VALUE! #VALUE! #VALUE! -1 -1

Name: n-Pentane r: #VALUE!Sub group: CH3 CH2

No of subgr: 2 3#VALUE! #VALUE! -1 -1 -1

Name: acetone r: #VALUE!Sub group: CH3 CH3CO

No of subgr: 1 1#VALUE! #VALUE! -1 -1 -1

Name: methanol r: #VALUE!Sub group: CH3OH

No of subgr: 1#VALUE! -1 -1 -1 -1

Name: 2-propanol r: #VALUE!Sub group: CH3 CH OH

No of subgr: 2 1 1#VALUE! #VALUE! #VALUE! -1 -1

Name: r: 0Sub group:

No of subgr:

-1 -1 -1 -1 -1Name: r: 0

Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

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Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:

-1 -1 -1 -1 -1Name: r: 0

Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:

-1 -1 -1 -1 -1Name: r: 0

Sub group:No of subgr:

-1 -1 -1 -1 -1Name: r: 0

Sub group:No of subgr:

-1 -1 -1 -1 -1Name: r: 0

Sub group:No of subgr:

-1 -1 -1 -1 -1Name: r: 0

Sub group:

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No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

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No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

No of subgr:-1 -1 -1 -1 -1

Name: r: 0Sub group:

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Name: r: 0Sub group:

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Name: r: 0Sub group:

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No of subgr:

-1 -1 -1 -1 -1Name: r: 0

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Name: r: 0Sub group:

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Name: r: 0Sub group:

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Name: r: 0Sub group:

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Name: r: 0Sub group:

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Name: r: 0Sub group:

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Name: r: 0Sub group:

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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Name: r: 0Sub group:

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No of subgr:

-1 -1 -1 -1 -1Name: r: 0

Sub group:

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Name: r: 0Sub group:

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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Name: r: 0Sub group:

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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Name: r: 0Sub group:

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-1 -1 -1 -1 -1Name: r: 0

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Name: r: 0Sub group:

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Name: r: 0Sub group:

No of subgr:

-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

Sub group:No of subgr:

-1 -1 -1 -1 -1Name: r: 0

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Name: r: 0Sub group:

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Name: r: 0Sub group:

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-1 -1 -1 -1 -1Name: r: 0

Sub group:

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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-1 -1 -1 -1 -1Name: r: 0

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q: #VALUE! l: #VALUE! Sum vk: 1

-1 -1 -1 -1 -1 -1q: #VALUE! l: #VALUE! Sum vk: 6

-1 -1 -1 -1 -1 -1q: #VALUE! l: #VALUE! Sum vk: 3

-1 -1 -1 -1 -1 -1

q: #VALUE! l: #VALUE! Sum vk: 5

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-1 -1 -1 -1 -1 -1

q: #VALUE! l: #VALUE! Sum vk: 1

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q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

Page 48: unifac

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1

q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1

q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1

Page 49: unifac

q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1

q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1

q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

Page 50: unifac

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1

q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1

q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1

Page 51: unifac

q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1

q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1

q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

Page 52: unifac

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1

q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1

q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1q: 0 l: 1 Sum vk: 0

-1 -1 -1 -1 -1 -1

Page 53: unifac

Table over R and Q values for subgroups

Main group Subgroup Group name1 1 CH3 0.9011 0.8481 2 CH2 0.6744 0.5401 3 CH 0.4469 0.2281 4 C 0.2195 0.0002 5 CH2=CH 1.3454 1.1762 6 CH=CH 1.1167 0.8672 7 CH2=C 1.1173 0.9882 8 CH=C 0.8886 0.6762 9 C=C 0.6605 0.4853 10 ACH 0.5313 0.4003 11 AC 0.3652 0.1204 12 ACCH3 1.2663 0.9684 13 ACCH2 1.0396 0.6604 14 ACCH 0.8121 0.3485 15 OH 1.0000 1.2006 16 CH3OH 1.4311 1.4327 17 H2O 0.9200 1.4008 18 ACOH 0.8952 0.6809 19 CH3CO 1.6724 1.4889 20 CH2CO 1.4457 1.180

10 21 CHO 0.9980 0.94811 22 CH3COO 1.9031 1.72811 23 CH2COO 1.6764 1.42012 24 HCOO 1.2420 1.18813 25 CH3O 1.1450 1.08813 26 CH2O 0.9183 0.78013 27 CH-O 0.6908 0.46813 28 FCH2O 0.9183 1.10014 29 CH3NH2 1.5959 1.54414 30 CH2NH2 1.3692 1.23614 31 CHNH2 1.1417 0.92415 32 CH3NH 1.4337 1.24415 33 CH2NH 1.2070 0.93615 34 CHNH 0.9795 0.62416 35 CH3N 1.1865 0.94016 36 CH2N 0.9597 0.63217 37 ACNH2 1.0600 0.81618 38 C5H5N 2.9993 2.11318 39 C5H4N 2.8332 1.83318 40 C5H3N 2.6670 1.55319 41 CH3CN 1.8701 1.72419 42 CH2CN 1.6434 1.41620 43 COOH 1.3013 1.22420 44 HCOOH 1.5280 1.53221 45 CH2Cl 1.4654 1.26421 46 CHCl 1.2380 0.95221 47 CCl 1.0060 0.72422 48 CH2Cl2 2.2564 1.98822 49 CHCl2 2.0606 1.684

Rk Qk

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22 50 CCl2 1.8016 1.44823 51 CHCl3 2.8700 2.41023 52 CCl3 2.6401 2.18424 53 CCl4 3.3900 2.91025 54 ACCl 1.1562 0.84426 55 CH3NO2 2.0086 1.86826 56 CH2NO2 1.7818 1.56026 57 CHNO2 1.5544 1.24827 58 ACNO2 1.4199 1.10428 59 CS2 2.0570 1.65029 60 CH3SH 1.8770 1.67629 61 CH2SH 1.6510 1.36830 62 FURFURAL 3.1680 2.48131 63 (CH2OH)2 2.4088 2.24832 64 I 1.2640 0.99233 65 BR 0.9492 0.83234 66 CH-trip-C 1.2920 1.08834 67 C-trip-C 1.0613 0.78435 68 Me2SO 2.8266 2.47236 69 ACRY 2.3144 2.05237 70 Cl(C=C) 0.7910 0.72438 71 ACF 0.6948 0.52439 72 DMF-1 3.0856 2.73639 73 DMF-2 2.6322 2.12040 74 CF3 1.0406 1.38040 75 CF2 1.0105 0.92040 76 CF 0.6150 0.46041 77 COO 1.3800 1.20042 78 SiH3 1.6035 1.26342 79 SiH2 1.4443 1.00642 80 SiH 1.2853 0.74942 81 Si 1.0470 0.41043 82 SiH2O 1.4838 1.06243 83 SiHO 1.3030 0.76443 84 SiO 1.0440 0.46644 85 NMP 3.9810 3.20045 86 tert-N 0.2854 0.09246 87 AMIDE 1.4660 1.33647 88 CON(Me)2 2.8590 2.42847 89 CONMeCH2 2.6320 2.12047 90 CON(CH2)2 2.4050 1.812

919293949596979899

100101102103

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104105106107108109110111112113114115116117118119120121122123124125126127128129130131132133134135136137138139140141142143144145146147148149150151152153154155156157

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158159160161162163164165166167168169170171172173174175176177178179180181182183184185186187188189190191192193194195196197198199200

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n 1 2 3 4 5m Name CH2 C=C ACH ACCH2 OH

1 CH2 0 86.02 61.13 76.5 986.52 C=C -35.36 0 38.81 74.15 524.13 ACH -11.12 3.446 0 167 636.14 ACCH2 -69.7 -113.6 -146.8 0 803.25 OH 156.4 457 89.6 25.82 06 CH3OH 16.51 -12.52 -50 -44.5 249.17 H2O 300 496.1 362.3 377.6 -229.18 ACOH 275.8 217.5 25.34 244.2 -451.69 CH2CO 26.76 42.92 140.1 365.8 164.5

10 CHO 505.7 56.3 23.39 106 -404.811 CCOO 114.8 132.1 85.84 -170 245.412 HCOO 90.49 -62.55 1967 2347 191.213 CH2O 83.36 26.51 52.13 65.69 237.714 CNH2 -30.48 1.163 -44.85 0 -16415 CNH2 65.33 -28.7 -22.31 223 -15016 (C)3N -83.98 -25.38 -223.9 109.9 28.617 ACNH2 1139 2000 247.5 762.8 -17.418 PYRIDINE -101.6 0 31.87 49.8 -132.319 CCN 24.82 -40.62 -22.97 -138.4 -185.420 COOH 315.3 1264 62.32 268.2 -15121 CCl 91.46 97.51 4.68 122.9 562.222 CCl2 34.01 18.25 121.3 140.8 747.723 CCl3 36.7 51.06 288.5 33.61 742.124 CCl4 -78.45 160.9 -4.7 134.7 856.325 ACCl -141.3 -158.8 -237.7 375.5 246.926 CNO2 -32.69 -1.996 10.38 -97.05 261.627 ACNO2 5541 0 1824 -127.8 561.628 CS2 -52.65 16.62 21.5 40.68 823.529 CH3SH -7.481 0 28.41 0 461.630 FURFURAL -25.31 0 157.3 404.3 521.631 (CH2OH)2 140 0 221.4 150.6 267.632 I 128 0 58.68 0 501.333 Br -31.52 0 155.6 291.1 721.934 C-trip-C -72.88 41.38 0 0 035 Me2SO 50.49 422.4 -2.504 -143.2 -25.8736 ACRY -165.9 0 0 0 037 ClCC 47.41 124.2 395.8 0 738.938 ACF -5.132 0 -237.2 -157.3 649.739 DMF -31.95 249 -133.9 -240.2 64.1640 CF2 147.3 0 0 0 041 COO 529 1397 317.6 615.8 88.6342 -34.36 0 787.9 191.6 191343 110.2 0 234.4 221.8 84.8544 NMP 13.89 0 -23.88 6.214 796.945 TERT-N 272 0 -288 -1020 046 AMIDE 8960 -963 -63.1 -196 047 -11.1 0 -11.8 -36.6 048 0 0 0 0 049 0 0 0 0 0

Table over main group interaction parameters a

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50 0 0 0 0 051 0 0 0 0 052 0 0 0 0 053 0 0 0 0 054 0 0 0 0 055 0 0 0 0 056 0 0 0 0 057 0 0 0 0 058 0 0 0 0 059 0 0 0 0 060 0 0 0 0 061 0 0 0 0 062 0 0 0 0 063 0 0 0 0 064 0 0 0 0 065 0 0 0 0 066 0 0 0 0 067 0 0 0 0 068 0 0 0 0 069 0 0 0 0 070 0 0 0 0 071 0 0 0 0 072 0 0 0 0 073 0 0 0 0 074 0 0 0 0 075 0 0 0 0 076 0 0 0 0 077 0 0 0 0 078 0 0 0 0 079 0 0 0 0 080 0 0 0 0 081 0 0 0 0 082 0 0 0 0 083 0 0 0 0 084 0 0 0 0 085 0 0 0 0 086 0 0 0 0 087 0 0 0 0 088 0 0 0 0 089 0 0 0 0 090 0 0 0 0 091 0 0 0 0 092 0 0 0 0 093 0 0 0 0 094 0 0 0 0 095 0 0 0 0 096 0 0 0 0 097 0 0 0 0 098 0 0 0 0 099 0 0 0 0 0

100 0 0 0 0 0

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6 7 8 9 10 11 12CH3OH H2O ACOH CH2CO CHO CCOO HCOO

697.2 1318 1333 476.4 677 232.1 741.4787.6 270.6 526.1 182.6 448.8 37.85 449.1637.3 903.8 1329 25.77 347.3 5.994 -92.55603.2 5695 884.9 -52.1 586.6 5688 115.2

-137.1 353.5 -259.7 84 441.8 101.1 193.10 -181 -101.7 23.39 306.4 -10.72 193.4

289.6 0 324.5 -195.4 -257.3 72.87 0-265.2 -601.8 0 -356.1 0 -449.4 0108.7 472.5 -133.1 0 -37.36 -213.7 -38.47

-340.2 232.7 0 128 0 -110.3 11.31249.6 200.8 -36.72 372.2 185.1 0 372.9155.7 0 0 70.42 35.35 -261.1 0238.4 -314.7 0 191.1 -7.838 461.3 0

-481.7 -330.4 0 0 0 0 0-500.4 -448.2 0 0 0 136 0-406.8 -598.8 0 225.3 0 0 0-118.1 -367.8 -253.1 -450.3 0 -294.8 0-378.2 -332.9 -341.6 -51.54 0 0 0157.8 242.8 0 -287.5 0 -266.6 01020 -66.17 0 -297.8 0 -256.3 312.5529 698.2 0 286.3 -47.51 35.38 0

669.9 708.7 0 423.2 0 -132.9 0649.1 826.7 0 552.1 242.8 176.5 488.9860.1 1201 10000 372 0 129.5 403.1661.6 920.4 0 128.1 0 -246.3 0252.6 417.9 0 -142.6 0 129.3 0

0 360.7 0 0 0 0 0914.2 1081 0 303.7 0 243.8 0382.8 0 0 160.6 0 0 239.8

0 23.48 0 317.5 0 -146.3 00 -142.1 838.4 0 0 152 00 0 0 138 0 21.92 0

494.7 0 0 -142.6 0 24.37 00 0 0 443.6 0 0 0

695 -240 0 110.4 0 41.57 00 386.6 0 0 0 175.5 0

528 0 0 -40.9 0 16.99 0645.9 0 0 0 0 0 0172.2 -287.1 0 97.04 0 0 0

0 0 0 0 0 0 0171 284.4 -167.3 123.4 0 -234.9 65.37

0 0 0 992.4 0 0 00 0 0 0 0 0 00 832.2 0 0 0 0 0

-668 -1080 0 -435 -686 -463 00 0 0 -444 -167 0 00 0 0 1530 -60.8 -466 00 0 0 0 0 0 00 0 0 0 0 0 0

Table over main group interaction parameters amn

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0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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13 14 15 16 17 18 19CH2O CNH2 CNH2 (C)3N ACNH2 PYRIDINE CCN251.5 391.5 225.7 206.6 920.7 287.7 597214.5 240.9 163.9 61.11 749.3 0 336.932.14 161.7 122.8 90.49 648.2 -4.449 212.5213.1 0 -49.29 23.5 664.2 52.8 609628.06 83.02 42.7 -323 -52.39 170 6.712

-128.6 359.3 266 53.9 489.7 580.5 36.23540.5 48.89 168 304 -52.29 459 112.6

0 0 0 0 119.9 -305.5 0-103.6 0 0 -169 6201 165.1 481.7304.1 0 0 0 0 0 0

-235.7 0 -73.5 0 475.5 0 494.60 0 0 0 0 0 00 0 141.7 0 0 0 -18.510 0 63.72 -41.11 -200.7 0 0

-49.3 108.8 0 -189.2 0 0 00 38.89 865.9 0 0 0 00 -15.07 0 0 0 0 -281.60 0 0 0 0 0 -169.7

38.81 0 0 0 777.4 134.3 0-338.5 0 0 0 0 -313.5 0225.4 0 0 0 429.7 0 -62.41

-197.7 0 0 -141.4 0 587.3 258.6-20.93 0 0 -293.7 0 18.98 74.04113.9 261.1 91.13 -126 898.2 309.2 492

95.5 203.5 -108.4 1088 530.5 0 356.9-94.49 0 0 0 0 0 0.283

0 0 0 0 134.9 0 0112.4 0 0 0 0 0 335.763.71 106.7 0 0 0 0 125.7

0 0 0 0 0 0 09.207 0 0 0 255.4 0 0476.6 0 0 0 0 0 0736.4 0 0 0 0 0 0

0 0 0 0 0 0 329.1-122.1 0 0 -257.2 0 0 0

0 0 0 0 0 0 -42.31-217.9 0 0 0 0 0 304167.1 0 0 116.5 0 0 0

-158.2 0 0 0 343.7 0 00 0 0 0 0 0 0

-247.8 0 284.5 0 -22.1 0 -61.60 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

2880 0 0 0 0 0 0-74.7 0 0 0 0 0 0

0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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20 21 22 23 24 25 26COOH CCl CCl2 CCl3 CCl4 ACCl CNO2663.5 35.93 53.76 24.9 104.3 321.5 661.5318.9 204.6 5.892 -13.99 -109.7 393.1 357.5537.4 -18.81 -144.4 -231.9 3 538.2 168603.8 -114.1 -111 -12.14 -141.3 -126.9 3629

199 75.62 -112.1 -98.12 143.1 287.8 256.5-289.5 -38.32 -102.5 -139.4 -67.8 17.12 75.14-14.09 325.4 370.4 353.7 497.5 678.2 220.6

0 0 0 0 1827 0 0669.4 -191.7 -284 -354.6 -39.2 174.5 137.5

0 751.9 0 -483.7 0 0 0660.2 -34.74 108.9 -209.7 54.47 629 -81.13

-356.3 0 0 -287.2 36.84 0 0664.6 301.1 137.8 -154.3 47.67 66.15 95.18

0 0 0 0 -99.81 68.81 00 0 0 0 71.23 4350 00 0 -73.85 -352.9 -8.283 -86.36 00 287 0 0 882 287.9 0

-153.7 0 -351.6 -114.7 -165.1 0 00 88.75 -152.7 -15.62 -54.86 52.31 -0.5150 44.42 120.2 76.75 212.7 0 0

326.4 0 108.3 249.2 62.42 464.4 32.73339.6 -84.53 0 0 56.33 0 01346 -157.1 0 0 -30.1 0 0689 11.8 17.97 51.9 0 475.8 490.9

0 -314.9 0 0 -255.4 0 -154.50 113 0 0 -34.68 794.4 00 0 0 0 514.6 0 -85.120 -73.09 0 -26.06 -60.71 0 00 -27.94 0 0 0 0 00 0 0 48.48 -133.1 0 00 0 0 0 0 0 481.30 0 -40.82 21.76 48.49 0 64.28

5256 1169 0 0 225.8 224 125.30 0 0 0 0 0 174.4

150 0 -215 -343.6 -58.43 0 00 0 0 0 -85.15 0 0

898.2 428.5 0 -149.8 -134.2 0 379.40 0 0 0 -124.6 0 0

-106.6 0 0 0 -186.7 0 00 0 0 0 0 0 0

1179 182.2 305.4 -193 335.7 1107 -124.70 0 0 0 0 0 0

2450 0 0 0 70.81 0 02496 0 0 0 0 0 0

0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

Page 64: unifac

0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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27 28 29 30 31 32 33ACNO2 CS2 CH3SH FURFURAL (CH2OH)2 I Br

543 153.6 184.4 354.5 3025 335.8 479.50 76.3 0 0 0 0 0

194.9 52.07 -10.43 -64.69 210.4 113.3 -13.594448 -9.451 0 -20.36 4975 0 -171.3

157.1 477 147.5 -120.5 -318.9 313.5 133.40 -31.09 37.84 0 0 0 106.3

399.5 887.1 0 188 13.53 0 00 0 0 0 -687.1 0 00 216.1 -46.28 -163.7 0 53.59 245.20 0 0 0 0 0 00 183 0 202.3 -101.7 148.3 18.880 0 4.339 0 0 0 00 140.9 -8.538 0 -20.11 -149.5 -202.30 0 -70.14 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

-139.3 0 0 0 -136.9 0 00 0 0 0 0 0 00 230.9 21.37 0 0 0 00 0 0 0 0 0 -950 450.1 59.02 0 0 0 -125.90 0 0 0 0 177.6 00 116.6 0 -64.38 0 86.4 0

534.7 132.2 0 546.7 0 247.8 41.940 0 0 0 0 0 -60.7

533.2 0 0 0 139.8 304.3 10.170 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 85.7 0 535.8 0 00 0 0 0 0 0 00 167.9 0 0 0 0 00 0 0 0 0 0 00 0 -71 0 -191.7 0 00 0 0 0 0 0 00 885.5 0 0 0 288.1 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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34 35 36 37 38 39 40C-trip-C Me2SO ACRY ClCC ACF DMF CF2

298.9 526.5 689 -4.189 125.8 485.3 -2.85931.14 -137.4 0 -66.46 0 -70.45 0

0 169.9 0 -259.1 389.3 245.6 00 4284 0 0 101.4 5629 00 -202.1 0 225.8 44.78 -143.9 00 -399.3 0 33.47 -48.25 -172.4 00 -139 160.8 0 0 319 00 0 0 0 0 0 0

-246.6 -44.58 0 -34.57 0 -61.7 00 0 0 0 0 0 00 52.08 -28.61 -83.3 0 0 00 0 0 0 0 0 00 172.1 0 240.2 -273.9 254.8 00 0 0 0 0 0 00 0 0 0 0 0 00 243.1 0 0 -196.3 0 00 0 0 0 0 -334.4 00 0 0 0 0 0 0

-203 0 81.57 3.509 0 0 00 -561.2 0 -11.16 0 -246.5 00 0 0 -245.4 0 0 00 215 0 0 0 0 00 363.7 0 111.2 0 0 00 337.7 369.5 187.1 215.2 498.6 00 0 0 0 0 0 0

-27.7 0 0 10.76 0 0 00 0 0 0 0 0 00 0 0 -47.37 0 0 00 31.66 0 0 0 78.92 00 0 0 0 0 0 00 -417.2 0 0 0 302.2 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 -119.8 00 0 0 0 0 -97.71 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 -117.2

6.699 136.6 0 0 0 0 00 0 0 0 185.6 0 00 -29.34 -53.91 -198 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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41 42 43 44 45 46 47COO NMP TERT-N AMIDE 387.1 -450.4 252.7 220.3 383 -1380 72948.33 0 0 0 0 2340 0103.5 -432.3 238.9 30.04 109 75.9 78469.26 683.3 355.5 46.38 1320 482 386190.3 -817.7 202.7 -504.2 0 0 0165.7 0 0 0 214 0 0

-197.5 0 0 -454.2 365 0 0-494.2 0 0 0 0 0 0

-18.8 0 0 0 135 -1680 -580 0 0 0 -7.18 333 6810

560.2 0 0 0 -54.6 0 6960-70.24 0 0 0 0 0 0

417 0 0 0 5780 131 00 0 0 0 0 0 0

-38.77 0 0 0 0 0 00 0 0 0 0 0 0

-89.42 0 0 0 0 0 00 0 0 0 0 0 0

120.3 0 0 0 0 0 0-337 169.3 127.2 0 0 0 0

63.67 0 0 0 0 0 0-96.87 0 0 0 0 0 0255.8 0 0 0 0 0 0256.5 639.3 0 0 0 0 0

-145.1 0 0 0 0 0 0248.4 0 0 0 0 0 0

0 0 0 0 0 0 0469.8 0 0 0 0 0 0

0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

68.55 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

153.7 0 0 0 0 0 0423.4 0 0 0 0 0 0730.8 0 0 0 0 0 0

0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 -2166 0 0 0 00 745.3 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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0 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 00 0 0 0 0 0 0

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0 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 0

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0 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 00 0 0 0

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Calculations of the Combinatorial Part of the activity coefficients

i z1 #VALUE! #VALUE! #VALUE! 102 #VALUE! #VALUE! #VALUE!3 #VALUE! #VALUE! #VALUE!4 #VALUE! #VALUE! #VALUE! 1 2 3 4 55 #VALUE! #VALUE! #VALUE! #VALUE! 0 0 0 06 #VALUE! #VALUE! #VALUE!7 #VALUE! #VALUE! #VALUE!8 #VALUE! #VALUE! #VALUE!9 #VALUE! #VALUE! #VALUE! 1 2 3 4 5

10 #VALUE! #VALUE! #VALUE! #VALUE! 0 0 0 011 #VALUE! #VALUE! #VALUE!12 #VALUE! #VALUE! #VALUE!13 #VALUE! #VALUE! #VALUE!14 #VALUE! #VALUE! #VALUE! 1 2 3 4 515 #VALUE! #VALUE! #VALUE! #VALUE! 0 0 0 0

i 1 2 3 4 51 #VALUE! 0 0 0 02 #VALUE! 0 0 0 03 0 0 0 0 04 0 0 0 0 05 0 0 0 0 06 0 0 0 0 07 0 0 0 0 08 0 0 0 0 09 0 0 0 0 0

10 0 0 0 0 0

ri qi li

S_j ( rjxj )

S_j ( qjxj )

S_j ( ljxj )

Q_i

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11 0 0 0 0 012 0 0 0 0 013 0 0 0 0 014 0 0 0 0 015 0 0 0 0 0

i 1 2 3 4 51 #VALUE! 0 0 0 02 #VALUE! 0 0 0 03 0 0 0 0 04 0 0 0 0 05 0 0 0 0 06 0 0 0 0 07 0 0 0 0 08 0 0 0 0 09 0 0 0 0 0

10 0 0 0 0 011 0 0 0 0 012 0 0 0 0 013 0 0 0 0 014 0 0 0 0 015 0 0 0 0 0

i 1 2 3 4 51 #VALUE! 0 0 0 02 #VALUE! 0 0 0 03 0 0 0 0 04 0 0 0 0 05 0 0 0 0 06 0 0 0 0 0

F_i

ln( g_i combinatorial part )

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7 0 0 0 0 08 0 0 0 0 09 0 0 0 0 0

10 0 0 0 0 011 0 0 0 0 012 0 0 0 0 013 0 0 0 0 014 0 0 0 0 015 0 0 0 0 0

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Calculations of the Residual Part of the activity coefficients

i 1 2 3 4 51 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!2 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!3 0 0 0 0 04 0 0 0 0 05 0 0 0 0 06 0 0 0 0 07 0 0 0 0 08 0 0 0 0 09 0 0 0 0 0

10 0 0 0 0 011 0 0 0 0 012 0 0 0 0 013 0 0 0 0 014 0 0 0 0 015 0 0 0 0 0

#VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

Subgroup Main groupm 1 2 3 4 5 1 2 3### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!### ### #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

x_i*S(v_k)

S[xi * S(vk)]:

X_m Q_m * X_m

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#VALUE! #VALUE! #VALUE!S:

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Calculations of the Residual Part of the activity coefficients

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Q_m * X_m q_m S_m( q_m * Y_m,k

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#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!

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#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! 0 0 0 0 #VALUE! #VALUE! #VALUE!

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ln ( G_k )

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Q_m*X_mm \ i

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2 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!3 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!4 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!5 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!6 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!7 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!8 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!9 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

10 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!11 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

1 2 3 4 5 6 7 8 91 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!2 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!3 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!4 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!5 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!6 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!7 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!8 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!9 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

10 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!11 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

1 2 3 4 5 6 7 8 91 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!2 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!3 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!4 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!5 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!6 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!7 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!8 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!9 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

10 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!11 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

1 2 3 4 5 6 7 8 91 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!2 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!3 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!4 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!5 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!6 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!7 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!8 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

Svk

q_m (i)m \ i

S_m( q_m * Y_m,k )m \ i

S_m [ q_m * Y_k,m / S_n ( q_n * Y_n,mm \ i

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9 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!10 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!11 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

1 2 3 4 5 6 7 8 91 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!2 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!3 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!4 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!5 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!6 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!7 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!8 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!9 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

10 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!11 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

i 1 2 3 4 51 #VALUE! 0 0 0 02 #VALUE! 0 0 0 03 #VALUE! 0 0 0 04 #VALUE! 0 0 0 05 #VALUE! 0 0 0 06 #VALUE! 0 0 0 07 #VALUE! 0 0 0 08 #VALUE! 0 0 0 09 #VALUE! 0 0 0 0

10 #VALUE! 0 0 0 011 #VALUE! 0 0 0 012 #VALUE! 0 0 0 013 #VALUE! 0 0 0 014 #VALUE! 0 0 0 015 #VALUE! 0 0 0 0

ln ( G_k (i) )k \ i

ln( g_i residual)

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Calculations of the Residual Part (Pure) of the activity coefficients

10 11 12 13 14 15#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

10 11 12 13 14 15#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

10 11 12 13 14 15#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

10 11 12 13 14 15#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

Subgroup of component i

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#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

10 11 12 13 14 15#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

10 11 12 13 14 15#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

10 11 12 13 14 15#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

( q_n * Y_n,m ) ]

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#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

10 11 12 13 14 15#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

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GNU GENERAL PUBLIC LICENSEVersion 2, June 1991

Copyright (C) 1989, 1991 Free Software Foundation, Inc.675 Mass Ave, Cambridge, MA 02139, USA

Everyone is permitted to copy and distribute verbatim copiesof this license document, but changing it is not allowed.

Preamble

The licenses for most software are designed to take away yourfreedom to share and change it. By contrast, the GNU General PublicLicense is intended to guarantee your freedom to share and change freesoftware--to make sure the software is free for all its users. ThisGeneral Public License applies to most of the Free SoftwareFoundation's software and to any other program whose authors commit to

using it. (Some other Free Software Foundation software is covered bythe GNU Library General Public License instead.) You can apply it toyour programs, too.

When we speak of free software, we are referring to freedom, notprice. Our General Public Licenses are designed to make sure that youhave the freedom to distribute copies of free software (and charge forthis service if you wish), that you receive source code or can get itif you want it, that you can change the software or use pieces of itin new free programs; and that you know you can do these things.

To protect your rights, we need to make restrictions that forbidanyone to deny you these rights or to ask you to surrender the rights.These restrictions translate to certain responsibilities for you if youdistribute copies of the software, or if you modify it.

For example, if you distribute copies of such a program, whethergratis or for a fee, you must give the recipients all the rights that

you have. You must make sure that they, too, receive or can get thesource code. And you must show them these terms so they know theirrights.

We protect your rights with two steps: (1) copyright the software, and(2) offer you this license which gives you legal permission to copy,distribute and/or modify the software.

Also, for each author's protection and ours, we want to make certainthat everyone understands that there is no warranty for this freesoftware. If the software is modified by someone else and passed on, we

want its recipients to know that what they have is not the original, sothat any problems introduced by others will not reflect on the originalauthors' reputations.

Finally, any free program is threatened constantly by softwarepatents. We wish to avoid the danger that redistributors of a freeprogram will individually obtain patent licenses, in effect making the

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program proprietary. To prevent this, we have made it clear that anypatent must be licensed for everyone's free use or not licensed at all.

The precise terms and conditions for copying, distribution andmodification follow.

GNU GENERAL PUBLIC LICENSE

TERMS AND CONDITIONS FOR COPYING, DISTRIBUTION AND MODIFICATION

0. This License applies to any program or other work which contains

a notice placed by the copyright holder saying it may be distributedunder the terms of this General Public License. The "Program", below,refers to any such program or work, and a "work based on the Program"means either the Program or any derivative work under copyright law:that is to say, a work containing the Program or a portion of it,either verbatim or with modifications and/or translated into anotherlanguage. (Hereinafter, translation is included without limitation inthe term "modification".) Each licensee is addressed as "you".

Activities other than copying, distribution and modification are notcovered by this License; they are outside its scope. The act ofrunning the Program is not restricted, and the output from the Programis covered only if its contents constitute a work based on theProgram (independent of having been made by running the Program).Whether that is true depends on what the Program does.

1. You may copy and distribute verbatim copies of the Program'ssource code as you receive it, in any medium, provided that you

conspicuously and appropriately publish on each copy an appropriatecopyright notice and disclaimer of warranty; keep intact all thenotices that refer to this License and to the absence of any warranty;and give any other recipients of the Program a copy of this Licensealong with the Program.

You may charge a fee for the physical act of transferring a copy, andyou may at your option offer warranty protection in exchange for a fee.

2. You may modify your copy or copies of the Program or any portionof it, thus forming a work based on the Program, and copy and

distribute such modifications or work under the terms of Section 1above, provided that you also meet all of these conditions:

a) You must cause the modified files to carry prominent noticesstating that you changed the files and the date of any change.

b) You must cause any work that you distribute or publish, that inwhole or in part contains or is derived from the Program or any

part thereof, to be licensed as a whole at no charge to all thirdparties under the terms of this License.

c) If the modified program normally reads commands interactivelywhen run, you must cause it, when started running for suchinteractive use in the most ordinary way, to print or display anannouncement including an appropriate copyright notice and a

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notice that there is no warranty (or else, saying that you providea warranty) and that users may redistribute the program underthese conditions, and telling the user how to view a copy of thisLicense. (Exception: if the Program itself is interactive butdoes not normally print such an announcement, your work based onthe Program is not required to print an announcement.)

These requirements apply to the modified work as a whole. Ifidentifiable sections of that work are not derived from the Program,and can be reasonably considered independent and separate works in

themselves, then this License, and its terms, do not apply to thosesections when you distribute them as separate works. But when youdistribute the same sections as part of a whole which is a work basedon the Program, the distribution of the whole must be on the terms ofthis License, whose permissions for other licensees extend to theentire whole, and thus to each and every part regardless of who wrote it.

Thus, it is not the intent of this section to claim rights or contest

your rights to work written entirely by you; rather, the intent is toexercise the right to control the distribution of derivative orcollective works based on the Program.

In addition, mere aggregation of another work not based on the Programwith the Program (or with a work based on the Program) on a volume ofa storage or distribution medium does not bring the other work underthe scope of this License.

3. You may copy and distribute the Program (or a work based on it,

under Section 2) in object code or executable form under the terms ofSections 1 and 2 above provided that you also do one of the following:

a) Accompany it with the complete corresponding machine-readablesource code, which must be distributed under the terms of Sections1 and 2 above on a medium customarily used for software interchange; or,

b) Accompany it with a written offer, valid for at least three

years, to give any third party, for a charge no more than yourcost of physically performing source distribution, a completemachine-readable copy of the corresponding source code, to be

distributed under the terms of Sections 1 and 2 above on a mediumcustomarily used for software interchange; or,

c) Accompany it with the information you received as to the offerto distribute corresponding source code. (This alternative isallowed only for noncommercial distribution and only if youreceived the program in object code or executable form with suchan offer, in accord with Subsection b above.)

The source code for a work means the preferred form of the work formaking modifications to it. For an executable work, complete sourcecode means all the source code for all modules it contains, plus anyassociated interface definition files, plus the scripts used tocontrol compilation and installation of the executable. However, as aspecial exception, the source code distributed need not include

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anything that is normally distributed (in either source or binaryform) with the major components (compiler, kernel, and so on) of theoperating system on which the executable runs, unless that componentitself accompanies the executable.

If distribution of executable or object code is made by offeringaccess to copy from a designated place, then offering equivalent

access to copy the source code from the same place counts asdistribution of the source code, even though third parties are notcompelled to copy the source along with the object code.

4. You may not copy, modify, sublicense, or distribute the Programexcept as expressly provided under this License. Any attemptotherwise to copy, modify, sublicense or distribute the Program isvoid, and will automatically terminate your rights under this License.However, parties who have received copies, or rights, from you underthis License will not have their licenses terminated so long as suchparties remain in full compliance.

5. You are not required to accept this License, since you have notsigned it. However, nothing else grants you permission to modify ordistribute the Program or its derivative works. These actions areprohibited by law if you do not accept this License. Therefore, bymodifying or distributing the Program (or any work based on theProgram), you indicate your acceptance of this License to do so, andall its terms and conditions for copying, distributing or modifyingthe Program or works based on it.

6. Each time you redistribute the Program (or any work based on theProgram), the recipient automatically receives a license from theoriginal licensor to copy, distribute or modify the Program subject tothese terms and conditions. You may not impose any furtherrestrictions on the recipients' exercise of the rights granted herein.You are not responsible for enforcing compliance by third parties tothis License.

7. If, as a consequence of a court judgment or allegation of patentinfringement or for any other reason (not limited to patent issues),conditions are imposed on you (whether by court order, agreement or

otherwise) that contradict the conditions of this License, they do notexcuse you from the conditions of this License. If you cannotdistribute so as to satisfy simultaneously your obligations under thisLicense and any other pertinent obligations, then as a consequence youmay not distribute the Program at all. For example, if a patentlicense would not permit royalty-free redistribution of the Program byall those who receive copies directly or indirectly through you, thenthe only way you could satisfy both it and this License would be to

refrain entirely from distribution of the Program.

If any portion of this section is held invalid or unenforceable underany particular circumstance, the balance of the section is intended toapply and the section as a whole is intended to apply in othercircumstances.

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It is not the purpose of this section to induce you to infringe anypatents or other property right claims or to contest validity of anysuch claims; this section has the sole purpose of protecting theintegrity of the free software distribution system, which isimplemented by public license practices. Many people have madegenerous contributions to the wide range of software distributedthrough that system in reliance on consistent application of that

system; it is up to the author/donor to decide if he or she is willingto distribute software through any other system and a licensee cannotimpose that choice.

This section is intended to make thoroughly clear what is believed tobe a consequence of the rest of this License.

8. If the distribution and/or use of the Program is restricted incertain countries either by patents or by copyrighted interfaces, theoriginal copyright holder who places the Program under this Licensemay add an explicit geographical distribution limitation excluding

those countries, so that distribution is permitted only in or amongcountries not thus excluded. In such case, this License incorporatesthe limitation as if written in the body of this License.

9. The Free Software Foundation may publish revised and/or new versionsof the General Public License from time to time. Such new versions willbe similar in spirit to the present version, but may differ in detail toaddress new problems or concerns.

Each version is given a distinguishing version number. If the Program

specifies a version number of this License which applies to it and "anylater version", you have the option of following the terms and conditionseither of that version or of any later version published by the FreeSoftware Foundation. If the Program does not specify a version number ofthis License, you may choose any version ever published by the Free SoftwareFoundation.

10. If you wish to incorporate parts of the Program into other free

programs whose distribution conditions are different, write to the authorto ask for permission. For software which is copyrighted by the FreeSoftware Foundation, write to the Free Software Foundation; we sometimes

make exceptions for this. Our decision will be guided by the two goalsof preserving the free status of all derivatives of our free software andof promoting the sharing and reuse of software generally.

NO WARRANTY

11. BECAUSE THE PROGRAM IS LICENSED FREE OF CHARGE, THERE IS NO WARRANTYFOR THE PROGRAM, TO THE EXTENT PERMITTED BY APPLICABLE LAW. EXCEPT WHEN

OTHERWISE STATED IN WRITING THE COPYRIGHT HOLDERS AND/OR OTHER PARTIESPROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSEDOR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OFMERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. THE ENTIRE RISK ASTO THE QUALITY AND PERFORMANCE OF THE PROGRAM IS WITH YOU. SHOULD THEPROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF ALL NECESSARY SERVICING,REPAIR OR CORRECTION.

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12. IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITINGWILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MAY MODIFY AND/ORREDISTRIBUTE THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES,INCLUDING ANY GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISINGOUT OF THE USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITEDTO LOSS OF DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY

YOU OR THIRD PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHERPROGRAMS), EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THEPOSSIBILITY OF SUCH DAMAGES.

END OF TERMS AND CONDITIONS

Appendix: How to Apply These Terms to Your New Programs

If you develop a new program, and you want it to be of the greatestpossible use to the public, the best way to achieve this is to make itfree software which everyone can redistribute and change under these terms.

To do so, attach the following notices to the program. It is safestto attach them to the start of each source file to most effectivelyconvey the exclusion of warranty; and each file should have at leastthe "copyright" line and a pointer to where the full notice is found.

<one line to give the program's name and a brief idea of what it does.>Copyright (C) 19yy <name of author>

This program is free software; you can redistribute it and/or modify

it under the terms of the GNU General Public License as published bythe Free Software Foundation; either version 2 of the License, 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 ofMERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See theGNU General Public License for more details.

You should have received a copy of the GNU General Public Licensealong with this program; if not, write to the Free Software

Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA.

Also add information on how to contact you by electronic and paper mail.

If the program is interactive, make it output a short notice like thiswhen it starts in an interactive mode:

Gnomovision version 69, Copyright (C) 19yy name of author

Gnomovision comes with ABSOLUTELY NO WARRANTY; for details type `show w'.This is free software, and you are welcome to redistribute itunder certain conditions; type `show c' for details.

The hypothetical commands `show w' and `show c' should show the appropriateparts of the General Public License. Of course, the commands you use maybe called something other than `show w' and `show c'; they could even be

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mouse-clicks or menu items--whatever suits your program.

You should also get your employer (if you work as a programmer) or yourschool, if any, to sign a "copyright disclaimer" for the program, ifnecessary. Here is a sample; alter the names:

Yoyodyne, Inc., hereby disclaims all copyright interest in the program

`Gnomovision' (which makes passes at compilers) written by James Hacker.

<signature of Ty Coon>, 1 April 1989

Ty Coon, President of Vice

This General Public License does not permit incorporating your program intoproprietary programs. If your program is a subroutine library, you mayconsider it more useful to permit linking proprietary applications with thelibrary. If this is what you want to do, use the GNU Library GeneralPublic License instead of this License.