反應(yīng)器大作業(yè)(SO2優(yōu)化)

1、化學(xué)反應(yīng)器理論大作業(yè)化學(xué)反應(yīng)器理論大作業(yè) 二氧化硫轉(zhuǎn)化器最優(yōu)化學(xué) 院： 化學(xué)工程學(xué)院 班 級： 化研1108 學(xué) 號： 2011200126 姓 名： 馬樹剛 11化學(xué)反應(yīng)器理論大作業(yè)二氧化硫轉(zhuǎn)化器的最優(yōu)化題目背景：SO21/2O2=SO3，四段絕熱反應(yīng)器，級間間接換熱。1. 基礎(chǔ)數(shù)據(jù)：混合物恒壓熱容 Cp 0.2549kcal/kg·KH =23135kcal/kmol床層空隙率 b554kg/m3進(jìn)口SO2濃度8.0%，O2濃度9.0%，其余為氮?dú)?。處理?31kmolSO2/hr，要求最終轉(zhuǎn)化率98。2. 動(dòng)力學(xué)方程：式中：3. 基本要求：(1)在TX圖上，做出平衡線，至少4條

2、等速率線；(2)以一維擬均相平推流模型為基礎(chǔ)，在催化劑用量最少的前提下，總的及各段的催化劑裝量；進(jìn)出口溫度、轉(zhuǎn)化率；并在T-X圖上標(biāo)出折線；(3)程序用C，F(xiàn)ortran，BASIC語言之一編制；4. 討論：(1)要求的最終轉(zhuǎn)化率從97變化到99對催化劑用量的影響；(2)如果有關(guān)系：YO2YSO221，SO2進(jìn)口濃度在79之間變化，對催化劑裝量的影響。5. 選做：對優(yōu)化結(jié)果進(jìn)行校核。 算法簡介及計(jì)算程序和結(jié)果1. 解題思路已知第一段入口和最后一段出口的轉(zhuǎn)化率；第一段入口反應(yīng)物濃度，各物性參數(shù)；段與段間采用間接冷卻?？筛淖兊膮?shù)為各段的入口溫度；段與段之間的轉(zhuǎn)化X1in T1inX1out T1

3、out第一段第二段第三段第四段X2in T2inX2out T2outX3in T3inX3out T3outX4in T4inX4out T4out率。圖2.1 反應(yīng)流程圖由上述反應(yīng)流程圖分析可知：根據(jù)已知的入口組成，設(shè)定入口溫度，根據(jù)反應(yīng)速率對入口溫度所求偏導(dǎo)數(shù)在這一段內(nèi)對組成的積分為零可以求得此段出口轉(zhuǎn)化率和出口溫度，即得到下一段的入口轉(zhuǎn)化率，又根據(jù)前一段的出口速率等于后一段的入口速率，可以求得下一段的入口溫度；這樣又可以計(jì)算下一段的出口情況。這樣反復(fù)計(jì)算直至求出最后的出口情況。判斷此出口情況是否滿足題給條件（轉(zhuǎn)化率達(dá)到98%），若不滿足條件，則應(yīng)重新假設(shè)再進(jìn)行計(jì)算。這樣反復(fù)尋優(yōu)直至滿足

4、條件。計(jì)算公式如下：第一段： 第一、二段之間：第二段： 第二、三段之間：第三段： 第三、四段之間：第四段： 其中：為絕熱溫升2. 計(jì)算程序和結(jié)果2.1平衡線及等速率線的計(jì)算程序：利用反應(yīng)速度表達(dá)式，代入不同的速度值來確定不同溫度下的轉(zhuǎn)化率，從而求取等速率線和平衡線（速度等于0）。程序如下：#include "math.h"#include "stdio.h"#include "iostream.h"#include "stdlib.h"const double R=1.987;void strcopy(char *

5、str1,char *str2)for(int i=0; i<6; i+)str1i=str2i;double rate( double x, double t) double y,y1,y2,y3,keff,k,B; if(t>=693.15 && t<748.15) keff = 7.6915*pow(10,18)*exp(-76062 / (R*t); if(t>=748.15 && t<=873.15) keff = 1.5128*pow(10,7)*exp(-35992 / (R*t); k = 2.3*pow(10,-8

6、)*exp(27200/(R*t); y1 = (0.09-0.04*x) / (1-0.04*x) * (0.08-0.08*x) / (1-0.04*x) / (0.08*x / (1-0.04*x); y2 = (0.08*x / (1-0.04*x) / (0.08-0.08*x) / (1-0.04*x) * sqrt(0.09-0.04*x) / (1-0.04*x) * 2.26203*pow(10,-5)*exp(11295.3 / t); B = 48148*exp(-7355.5 / t); y3 = sqrt(B+(B-1)*(1-x) / x) + sqrt(k*(1-

7、x) / x); y = keff*k*y1*(1-y2*y2) / (y3*y3); return y; void main() double x,t,d; double r0=0,step=0.0001; FILE *fp; char filename6; for(int i=0; i<=5; i+) t=693.15;do x=0.01;do x+=step; if(x>=1) goto next;d=fabs(pow(10,5)*rate(x,t) - pow(10,5)*r0);while(d>0.001);switch(i)case 0:strcopy(filen

8、ame,"data0");break;case 1:strcopy(filename,"data1");break;case 2:strcopy(filename,"data2");break;case 3:strcopy(filename,"data3");break;case 4:strcopy(filename,"data4");break;default:strcopy(filename,"data5");fp=fopen(filename,"a"

9、);if (x-0.0001)<1) printf("Xso2= %f T= %fn",x-0.0001,t); fprintf(fp,"%f %fn",x-0.0001,t); fclose(fp);next: t+=5; while(t<=873.15); r0 +=1.0*pow(10,-6); 2.2 催化劑用量最小時(shí)的溫度、轉(zhuǎn)化率及催化劑裝量計(jì)算程序在催化劑用量最少（又能滿足要求的最高反應(yīng)速率）的前提下，計(jì)算各段進(jìn)出口溫度、轉(zhuǎn)化率以及總的和各段的催化劑裝量。程序如下：#include"math.h"#includ

10、e"stdio.h"#define R 1.987#define h 0.0001double myabs(double x) return(x>0?x:(-x); double r(double x,double t) double y,y1,y2,y3,keff,k,b; if(t>=693.15 && t<748.15) keff = 7.6915*pow(10,18)*exp(-76062 / (R*t); if(t>=748.15 && t<=873.15) keff = 1.5128*pow(10,7

11、)*exp(-35992 / (R*t); k = 2.3*pow(10,-8)*exp(27200/(R*t); y1 = (0.09-0.04*x) / (1-0.04*x) * (0.08-0.08*x) / (1-0.04*x) / (0.08*x / (1-0.04*x); y2 = (0.08*x / (1-0.04*x) / (0.08-0.08*x) / (1-0.04*x) * sqrt(0.09-0.04*x) / (1-0.04*x) * 2.26203*pow(10,-5)*exp(11295.3 / t); b = 48148*exp(-7355.5 / t); y3

12、 = sqrt(b+(b-1)*(1-x) / x) + sqrt(k*(1-x) / x); y = keff*k*y1*(1-y2*y2) / (y3*y3); return(y); double dr(double x,double t) double y; y= (r(x,t+h) - r(x,t-h) / (2*h); return(y); double t(double t0,double x0,double x) double y,lamda,H,cp,rou,c; H = -23135; cp = 254.9; rou = 0.500; c = 1.282; lamda = -

13、H*c/(rou*cp); y= t0 + lamda*(x-x0); return(y); double fun1(double x,double t) double y; y= -dr(x,t) / (r(x,t)*r(x,t); return(y); double jifen(double x0,double t0) double sum=0.0,x1=x0,x2,t1,t2=693.15,xout; do t1=t(t0,x0,x1); x2=x1+h/10; t2=t(t0,x0,x2); if(t2>873.15) xout = x1; goto end; sum = sum

14、 + h*( fun1(x1,t1) + fun1(x2,t2) / 20; x1=x2; while(sum<0); xout = x1-h/10;end: return(xout); double wjifen(double xin,double xou,double tin) double x1=xin,x2,t1,t2,sum=0.0,wcat; do t1=t(tin,xin,x1); x2=x1+h; t2=t(tin,xin,x2); sum = sum + (1/r(x1,t1) + 1/r(x2,t2)*h / 2000; x1=x2; while(x2<=xou

15、); wcat = sum*131*1000/3600; return(wcat); void main() double xout,tout,x0=0.0001,t0,t00=720,t1,wsum=0.0,wcat; double xou5,tin5,xin5,tou5; int i,j; do x0 = 0.0001; t0 = t00; printf("1 tin= %f xin= %en",t00,x0); i=0; xini =x0; tini =t00; do xout = jifen(x0,t0); tout = t(t0,x0,xout); xoui =

16、xout; toui=tout; printf("%d tout= %f ",i+1,tout); printf("xout= %e n",xout); printf("*n"); t1= 693.15;dot1 = t1 + 0.01;while(myabs(pow(10,5)*r(xout,t1)-pow(10,5)*r(xout,tout)>h); x0 = xout; t0 = t1; printf("%d tin= %f xin= %en",i+2,t0,xout); i+; xini = xout

17、; tini = t0;/* printf("%d tin= %f xin= %en",i+1,tini,xini); */ while(i<=3); t00 = t00-0.1; printf("nn"); while(x0<=0.98);FILE *fp;fp=fopen("data.txt","w"); for(j=0;j<=3;j+) printf("%d %f %e %f %en",j+1,tinj,xinj,touj,xouj); fprintf(fp,"

18、%d tin=%f xin=%e tout=%f xou=%en",j+1,tinj,xinj,touj,xouj); wcat = wjifen(xinj,xouj,tinj); printf("%d wcat=%fn",j+1,wcat); fprintf(fp,"%d wcat=%fn",j+1,wcat); wsum = wsum + wcat; printf("wsum= %fn",wsum);fclose(fp); 2.3 運(yùn)行結(jié)果(1) 等速線和平衡線程序運(yùn)算結(jié)果：（其中R為反應(yīng)速率； T（K）為反應(yīng)溫度;表內(nèi)

19、主體為各反應(yīng)速率下對應(yīng)系列溫度的SO2轉(zhuǎn)化率；）表2.1 R=I×10-6T/kI=0I=1I=2I=3I=4I=5693.150.9809-698.150.97970.1799-703.150.97820.4225-708.150.97620.59880.1219-713.150.9740.71810.3554-718.150.97150.79650.530.18440.0284-723.150.96860.84740.65440.38630.25850.0784728.150.96550.88020.7410.53730.43650.2903733.150.9620.90080.

20、80070.64730.56920.4536738.150.95820.91320.84130.72650.66640.5761743.150.95410.92020.86830.78280.7370.6669748.150.94960.92350.88570.82240.78760.7336753.150.94470.91920.88340.82370.79090.7398758.150.93940.91460.88040.82390.79280.7444763.150.93380.90940.87670.82310.79350.7474768.150.92780.90380.87250.8

21、2140.79320.7491773.150.92130.89780.86760.81880.79190.7497778.150.91440.89130.86220.81540.78970.7492783.150.90710.88440.85620.81130.78660.7477788.150.89940.8770.84960.80650.78270.7453793.150.89120.86910.84260.8010.77810.7421798.150.88260.86080.8350.79480.77280.738803.150.87350.85210.82690.78810.76680

22、.7332808.150.8640.84280.81830.78070.76020.7277813.150.8540.83320.80920.77270.75290.7215818.150.84360.8230.79960.76430.7450.7146823.150.83270.81250.78960.75520.73660.7071828.150.82150.80150.77910.74570.72760.699833.150.80970.790.76820.73570.71810.6904838.150.79760.77820.75680.72520.70810.6812843.150.

23、78510.7660.74510.71420.69770.6716848.150.77220.75340.73290.70290.68680.6614853.150.7590.74050.72040.69120.67550.6508858.150.74540.72730.70760.67910.66380.6398863.150.73150.71370.69440.66660.65180.6285868.150.71740.69990.6810.65390.63940.6167873.150.7030.68580.66730.64080.62680.6047(2) 關(guān)于催化劑用量程序運(yùn)算結(jié)果以

24、下為運(yùn)行結(jié)果：（經(jīng)運(yùn)算，滿足給定條件的第一段最高入口溫度為717.80K，此時(shí)可得到最少的催化劑用量）表2.2段序入口溫度（K）入口轉(zhuǎn)化率出口溫度（K）出口轉(zhuǎn)化率催化劑用量（kg）第一段717.8000000873.1488336.6766e-014176.348521第二段723.6000006.6766e-01778.5198949.0366e-015802.794136第三段715.9200009.0366e-01729.5056929.6204e-0110778.60990第四段693.1900009.6204e-01697.3881149.8008e-0125189.73005催化劑

25、總用量： 45947.482609kg=45.947T三、平衡線、等速線及操作線圖根據(jù)以上數(shù)據(jù)利用Matlab進(jìn)行編輯得圖，程序如下： %平衡線和等速線load data0;x=data0(:,1);t=data0(:,2);plot(t,x,'r');load data1;x=data1(:,1);t=data1(:,2);hold onplot(t,x,'g');load data2;x=data2(:,1);t=data2(:,2);hold onplot(t,x);load data3;x=data3(:,1);t=data3(:,2);hold onplot(t,x,'y');load data4;x=data4(:,1);t=data4(:,2);plot(t,x);hold onload data5;x=data5(:,1);t=data5(:,2);hold onplot(t,x);%操作線y=10(-4) 717.800000; 6.6766e-001 873.148833 ; 6.67