二元气液相平衡数据的测定(数据处理)

五、实验数据记录与处理：

项目温度

(0C)

液相x 气相y

饱和蒸汽压

P s*100000

数据1 正己烷

74.4

68.8899 76.127 1.206289 正庚烷31.1101 23.873 0.472527

数据2 正己烷

76.4

72.2217 77.8291 1.280930 正庚烷27.7783 22.1709 0.505914

数据3 正己烷

79.1

56.6229 66.8828 1.383679 正庚烷43.3771 33.1172 0.553946

数据4 正己烷

82.5

50.4742 45.1909 1.530921 正庚烷

49.5285

8

54.8091 0.619527

饱和蒸汽压的计算（c语言源程序）

#include

#include

void main()

{ int i;

double pp[4],pg[4];

double p=1.0158e5,t[4]={74.4,76.4,79.1,82.5};

double A1=9.2164,B1=2697.55,C1=-48.78;

//正己烷安托因方程系数

double A2=9.2535,B2=2911.32,C2=-56.51;

//正庚烷安托因方程系数

for(i=0;i<4;i++)

{

pp[i]=100000*exp(A1-B1/(t[i]+273.15+C1));

// 正己烷饱和蒸汽压单位化为帕

pg[i]=100000*exp(A2-B2/(t[i]+273.15+C2));

//正庚烷饱和蒸汽压

printf("pp[%d]=%lf\n",i,pp[i]);

printf("pg[%d]=%lf\n",i,pg[i]);

}

}

运行结果：

Wilson方程计算（MACLAB源程序）

function relixue

close all,

clear,

clc,

t=[74.4,76.4,79.1,82.5]';

x1=[0.688899,0.722217,0.566229,0.504742]';

y1=[0.76127,0.778291,0.668828,0.451909]';

x2=[0.311101,0.277783,0.433771,0.4952858]';

y2=[0.23873,0.221709,0.331172,0.548091]';

p=1.0258e5;

ps1=[1.206289,1.280930,1.383679,1.530921]'*1.e5;

ps2=[0.472527,0.505914,0.553946,0.619527]'*1.e5;

V1=86/659;

V2=100/684;

x0=[10 10];

x=lsqnonlin(@myfun,x0,[],[],optimset('Display','iter'),t,x1,y1,x2,y2,ps1,ps2,p,V1,V2); g12=x(1)

g21=x(2)

fprintf('EEA|NS2IEyIa:\n'),

fprintf('g12=%f\tg21=%f\n',g12,g21),

F=simulator(g12,g21,x1,x2,ps1,ps2,p,V1,V2,t);

y1cal=F(:,1)

y2cal=F(:,2)

plot(x1,t,':>',y1cal,t,':d')

legend('x1-t','y1-t')

xlabel('x1,y1')

ylabel('温度/t')

title('正己烷T-x-y图')

figure

plot(x2,t,':>',y2cal,t,':d')

legend('x2-t','y2-t')

xlabel('x2,y2')

ylabel('温度/t')

title('正庚烷T-x-y图')

figure

x1=[1,0.688899,0.722217,0.566229,0.504742,0]';

y1=[1,0.76127,0.778291,0.668828,0.451909,0]';

y1cal=[ 1 y1cal' 0];

plot(x1,y1,':>',x1,y1cal,':s')

xlabel('x1')

ylabel('y1')

title('正己烷x-y图')

legend('测量值','计算值')

x2=[0,0.311101,0.277783,0.433771,0.4952858,1]';

y2=[0,0.23873,0.221709,0.331172,0.548091,1]';

y2cal=[ 0 y2cal' 1];

figure

plot(x2,y2,':>',x2,y2cal,':s')

xlabel('x2')

ylabel('y2')

title('正庚烷x-y图')

legend('测量值','计算值')

function F=myfun(x,t,x1,y1,x2,y2,ps1,ps2,p,V1,V2)

g12=x(1); g21=x(2);

g21=x(2);

A12=V2/V1*exp(-g12/8.314./(t+273.5));

A21=V1/V2*exp(-g21/8.314./(t+273.15));

gangma1=exp(-log(x1+A12.*x2)-x2.*(A12./(x1+A12.*x2)-A21./(x2+A21.*x1))); gangma2=exp(-log(x2+A21.*x1)-x1.*(A21./(x2+A21.*x1)-A12./(x1+A12.*x2))); y1cal=gangma1.*x1.*ps1/p;

y2cal=gangma2.*x2.*ps2/p;

F=[y1-y1cal;y2-y2cal];

function F=simulator(g12,g21,x1,x2,ps1,ps2,p,V1,V2,t)

A12=V2/V1*exp(-g12/8.314./(t+273.5))

A21=V1/V2*exp(-g21/8.314./(t+273.15))

gangma1=exp(-log(x1+A12.*x2)-x2.*(A12./(x1+A12.*x2)-A21./(x2+A21.*x1))) gangma2=exp(-log(x2+A21.*x1)-x1.*(A21./(x2+A21.*x1)-A12./(x1+A12.*x2))) y1cal=gangma1.*x1.*ps1/p;

y2cal=gangma2.*x2.*ps2/p;

F=[y1cal,y2cal]

运行结果：

Norm of First-order

Iteration Func-count f(x) step optimality CG-iterations

0 3 0.1122 6.37e-005

1 6 0.110667 10 6.26e-005 1

2 9 0.107667 20 6.05e-005 1

3 12 0.101932 40 5.62e-005 1

4 1

5 0.0914919 80 4.79e-005 1

5 18 0.0745998 160 3.19e-005 1

6 21 0.055209 320 1.98e-005 1

7 24 0.0383033 640 7.13e-006 1

8 27 0.0351408 453.591 5.51e-007 1 Optimization terminated: first-order optimality less than OPTIONS.TolFun,

and no negative/zero curvature detected in trust region model.

g12 = -137.5221 g21 = 1.4686e+003

EEA|NS2IEyIa:

g12=-137.522127 g21=1468.583178

A12 =

1.1748

1.1745

1.1741

1.1736

A21 =

0.5370

0.5385

0.5406

0.5432

gangma1 =

0.8570

0.8745

0.7950

0.7649

gangma2 =

1.8378

1.8796

1.6581

1.5702

F =

0.6943 0.2634

0.7886 0.2575

0.6072 0.3884

0.5762 0.4697 y1cal =

0.6943

0.7886

0.6072

0.5762

y2cal =

0.2634

0.2575

0.3884

0.4697