uploading the first working version

ActivityModels/Margules2.m

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+function [gErt, gama] = Margules2(temperature, x, component, BIP)
+% 
+% SYNOPSIS:
+%   
+% 
+% PARAMETERS:
+%   
+% 
+% RETURNS:
+%   
+% 
+% EXAMPLE:
+% 
+% SEE ALSO:
+%     
+
+%{
+Copyright (c) 2012, 2013, Ali Akbar Eftekhari
+All rights reserved.
+
+Redistribution and use in source and binary forms, with or 
+without modification, are permitted provided that the following 
+conditions are met:
+
+    *   Redistributions of source code must retain the above copyright notice, 
+        this list of conditions and the following disclaimer.
+    *   Redistributions in binary form must reproduce the above 
+        copyright notice, this list of conditions and the following 
+        disclaimer in the documentation and/or other materials provided 
+        with the distribution.
+
+THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
+AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, 
+THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR 
+PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR 
+CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, 
+EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, 
+PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, 
+OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF 
+LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING 
+NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS 
+SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+%}
+
+
+%NOT READY YET
+% Margules 2 suffix activity coefficient method gives gE/RT in []
+% Temperature in K
+% A in J/mole  (main diagonal of the matrix should be 1)
+
+A = [BIP.NRTLcons]+[BIP.NRTLtdep]*temperature;
+alfa = BIP.NRTLalfa;
+R = 8.314;  % J/mole/K
+N = length(x);
+mult1 = ones(N)-diag(ones(N,1));
+taw = (A/R/temperature) .* mult1;
+G = (exp(-alfa*taw)) .* mult1;
+
+if (N==2)
+    gErt = x(1)*x(2)*(taw(2,1)*G(2,1)/(x(1)+x(2)*G(2,1))+ ...
+        taw(1,2)*G(1,2)/(x(2)+x(1)*G(1,2)));
+    gama(1) = exp(x(2)^2*(taw(2,1)*(G(2,1)/(x(1)+x(2)*G(2,1)))^2+ ...
+        taw(1,2)*G(1,2)/(x(2)+x(1)*G(1,2))^2));
+    gama(2) = exp(x(1)^2*(taw(1,2)*(G(1,2)/(x(2)+x(1)*G(1,2)))^2+ ...
+        taw(2,1)*G(2,1)/(x(1)+x(2)*G(2,1))^2));
+else
+    gErt = x*( x*(G.*taw)./ (x*G) )';
+
+    part1 = x*(G.*taw)./ (x*G);
+    part2 = (x.*(1./(x*G)))*(G.*taw)';
+    part3 = (x.*(1./(x*G)).*(1./(x*G)).*(x*(taw.*G)))*G';
+    gama = exp(part1 +part2-part3);
+end

ActivityModels/NRTL.m

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+function [gErt, gama] = NRTL(temperature, x, component, BIP)
+% 
+% SYNOPSIS:
+%   
+% 
+% PARAMETERS:
+%   
+% 
+% RETURNS:
+%   
+% 
+% EXAMPLE:
+% 
+% SEE ALSO:
+%     
+
+%{
+Copyright (c) 2012, 2013, Ali Akbar Eftekhari
+All rights reserved.
+
+Redistribution and use in source and binary forms, with or 
+without modification, are permitted provided that the following 
+conditions are met:
+
+    *   Redistributions of source code must retain the above copyright notice, 
+        this list of conditions and the following disclaimer.
+    *   Redistributions in binary form must reproduce the above 
+        copyright notice, this list of conditions and the following 
+        disclaimer in the documentation and/or other materials provided 
+        with the distribution.
+
+THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
+AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, 
+THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR 
+PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR 
+CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, 
+EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, 
+PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, 
+OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF 
+LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING 
+NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS 
+SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+%}
+
+
+% NRTL activity coefficient method gives gE/RT in []
+% Temperature in K
+% A in J/mole  (main diagonal of the matrix should be 1)
+% alfa in []
+A = [BIP.NRTLcons]+[BIP.NRTLtdep]*temperature+[BIP.NRTLtdep2]*temperature*temperature+ ...
+    [BIP.NRTLtdepm1]/temperature+[BIP.NRTLtdeplog]*log(temperature);
+alfa = BIP.NRTLalfa;
+R = 8.314;  % J/mole/K
+N = length(x);
+mult1 = ones(N)-diag(ones(N,1));
+taw = (A/R/temperature) .* mult1;
+G = (exp(-alfa*taw)) .* mult1;
+
+if (N==2)
+    gErt = x(1)*x(2)*(taw(2,1)*G(2,1)/(x(1)+x(2)*G(2,1))+ ...
+        taw(1,2)*G(1,2)/(x(2)+x(1)*G(1,2)));
+    gama(1) = exp(x(2)^2*(taw(2,1)*(G(2,1)/(x(1)+x(2)*G(2,1)))^2+ ...
+        taw(1,2)*G(1,2)/(x(2)+x(1)*G(1,2))^2));
+    gama(2) = exp(x(1)^2*(taw(1,2)*(G(1,2)/(x(2)+x(1)*G(1,2)))^2+ ...
+        taw(2,1)*G(2,1)/(x(1)+x(2)*G(2,1))^2));
+else
+    gErt = x*( x*(G.*taw)./ (x*G) )';
+
+    part1 = x*(G.*taw)./ (x*G);
+    part2 = (x.*(1./(x*G)))*(G.*taw)';
+    part3 = (x.*(1./(x*G)).*(1./(x*G)).*(x*(taw.*G)))*G';
+    gama = exp(part1 +part2-part3);
+end

ActivityModels/UNIQUAC.m

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+function [gErt, gama] = UNIQUAC(temperature, x, component, BIP)
+% 
+% SYNOPSIS:
+%   
+% 
+% PARAMETERS:
+%   
+% 
+% RETURNS:
+%   
+% 
+% EXAMPLE:
+% 
+% SEE ALSO:
+%     
+
+%{
+Copyright (c) 2012, 2013, Ali Akbar Eftekhari
+All rights reserved.
+
+Redistribution and use in source and binary forms, with or 
+without modification, are permitted provided that the following 
+conditions are met:
+
+    *   Redistributions of source code must retain the above copyright notice, 
+        this list of conditions and the following disclaimer.
+    *   Redistributions in binary form must reproduce the above 
+        copyright notice, this list of conditions and the following 
+        disclaimer in the documentation and/or other materials provided 
+        with the distribution.
+
+THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
+AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, 
+THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR 
+PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR 
+CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, 
+EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, 
+PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, 
+OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF 
+LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING 
+NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS 
+SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+%}
+
+
+N = length(x);
+R = 8.314;
+z = 10;  %coordination number
+r= [component.uniquacR];
+q= [component.uniquacQ];
+A = [BIP.UNIQUACcons]+[BIP.UNIQUACtdep]*temperature+[BIP.UNIQUACtdep2]*temperature*temperature+ ...
+    [BIP.UNIQUACtdepm1]/temperature+[BIP.UNIQUACtdeplog]*log(temperature);
+mult1 = ones(N)-diag(ones(N,1));
+fay = (x.*r)/(x*r');
+teta = (x.*q)/(x*q');
+taw = exp(-A/R/temperature).*mult1;
+l = z/2*(r-q)-(r-1);
+if (N==2)
+    lngama = zeros(1,N);
+    gEcrt = x(1)*log(fay(1)/x(1))+x(2)*log(fay(2)/x(2))+ ...
+        z/2*(q(1)*x(1)*log(teta(1)/fay(1))+q(2)*x(2)*log(teta(2)/fay(2)));
+    gErrt = -q(1)*x(1)*log(teta(1)+teta(2)*taw(2,1))- ...
+             q(2)*x(2)*log(teta(2)+teta(1)*taw(1,2));
+    gErt = gEcrt + gErrt;
+    for i=1:N
+        for j=1:N
+            if (i~=j)
+                lngama(i) = log(fay(i)/x(i))+z/2*q(i)*log(teta(i)/fay(i)) ...
+                    + fay(j)*(l(i)-r(i)/r(j)*l(j))-q(i)*log(teta(i)+teta(j)*taw(j,i)) ...
+                    + teta(j)*q(i)*(taw(j,i)/(teta(i)+teta(j)*taw(j,i))- ...
+                    taw(i,j)/(teta(j)+teta(i)*taw(i,j)));
+            end
+        end
+    end
+    gama = exp(lngama);
+else
+    gErt = x*log(fay./x)' + z/2*x*(q.*log(teta./fay))'-x*(q.*log(teta*taw'))';
+    lngama = log(fay./x) + z/2*q.*log(teta./fay) + l - fay./x*(x*l') ...
+        - q.*(teta*taw') + q - q.*((1./(teta*taw))*(teta*taw')');
+    gama = exp(lngama);
+end

ActivityModels/Wilson.m

@@ -0,0 +1,66 @@
+function [gErt, gama] = Wilson(temperature, x, component, BIP)
+%NOT READY YET
+% Margules 2 suffix activity coefficient method gives gE/RT in []
+% Temperature in K
+% A in J/mole  (main diagonal of the matrix should be 1)
+% 
+% SYNOPSIS:
+%   
+% 
+% PARAMETERS:
+%   
+% 
+% RETURNS:
+%   
+% 
+% EXAMPLE:
+% 
+% SEE ALSO:
+%     
+
+%{
+Copyright (c) 2012, 2013, Ali Akbar Eftekhari
+All rights reserved.
+
+Redistribution and use in source and binary forms, with or 
+without modification, are permitted provided that the following 
+conditions are met:
+
+    *   Redistributions of source code must retain the above copyright notice, 
+        this list of conditions and the following disclaimer.
+    *   Redistributions in binary form must reproduce the above 
+        copyright notice, this list of conditions and the following 
+        disclaimer in the documentation and/or other materials provided 
+        with the distribution.
+
+THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
+AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, 
+THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR 
+PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR 
+CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, 
+EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, 
+PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, 
+OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF 
+LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING 
+NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS 
+SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+%}
+
+
+A = [BIP.Wilsoncons]+[BIP.Wilsontdep]*temperature;
+R = 8.314;  % J/mole/K
+N = length(x);
+
+if (N==2)
+    gErt = -x(1)*log(x(1)+A(1,2)*x(2))-x(2)*log(x(2)+A(2,1)*x(1));
+    gama(1) = exp(-log(x(1)+A(1,2)*x(2))+x(2)*(A(1,2)/(x(1)+A(1,2)*x(2)) ...
+        -A(2,1)/(A(2,1)*x(1)+x(2))));
+    gama(2) = exp(-log(x(2)+A(2,1)*x(1))-x(1)*(A(1,2)/(x(1)+A(1,2)*x(2)) ...
+        -A(2,1)/(A(2,1)*x(1)+x(2))));
+else
+    gErt = x*log(x*A')';
+
+    part1 = -log(x*A')+1;
+    part2 = -(x.*(1./(x*A')))*A;
+    gama = exp(part1+part2);
+end