کد متلب محاسبه ی ضرایب فعالیت با روش UNIFAC

نوع فایل: Matlab

% input:
% R,Q: vectors of volumes and surface areas for each functional group
% nu: number of functional groups contained in each component
% (row: functional groups k, column: components i)
% amn: matrix of group interaction parameters
% Nc: number of components
% x: vector of liquid-phase mole fraction
% T: temperature (K)
% output:
% gam: vector of activity coefficients for each component

Parameters of Subgroups
Functional Group j          Rk         Qk       v j          v j
CH3                   1       0.9011  0.8480     2            2
CH2                   2       0.6744  0.5400     1            5
CH2NH               3       1.2070  0.9360     1            0
Source: Poling, B.E. et al., The Properties of Gases and Liquids,
5th ed., McGraw-Hill, New York, NY, 2001, pp. 8.78–8.81.

                                 Main Group 1        Main Group 15
                                  j = 1    j = 2              j = 3
Main Group 1 j = 1         0         0                 255.7
                    j = 2         0         0                 255.7
Main Group 15 j = 3   65.33   65.33                 0

Example:

% useunifgam.m
Nc = 2; k = 3; % numbers of components(Nc) and functional groups(k)
% vector of volumes for each functional group
R = [0.9011 0.6744 1.2070];
% vector of surface areas for each functional group
Q = [0.8480 0.5400 0.9360];
% number of functional groups contained in each component
% (row: functional groups k, column: components i)
nu = [2 2; 1 5; 1 0];
% matrix of group interaction parameters
amn = [0 0 255.7; 0 0 255.7; 65.33 65.33 0];
x = [0.4 0.6]; % mole fraction of each component
T = 308.15; % T(K)
gam = unifgam(k,R,Q,nu,amn,Nc,x,T)