How to vectorize this code?

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Taha Abbas Bin Rashid
clear
clc
tic
%concentration
%[M]=x1 [C]=x2 [Dr]=x3 [Cx]=x4 [R^o]=x5 [Rm^o]=x6 [Pr]=x7
x=[100 1 1 0 0 0 0];
v=1e-18; % control volume
NA=6.022e23; % Avogadro's Number
t=0;
nmax=2000;
%number of molecules
n=(NA*v).*x;
N=n;
%kp=k1 ktc0=k2 ktd0=k3 ktr=k4 ka=k5 kd=k5
k=[1516 3.469e8 0 0.22 0.45 1.1e7];
kmc=k./((NA*v));
kmc2=(2.*k)./((NA*v));
iter=1;
iter_t=0;
for n=1:nmax
for t=t
R(1)=kmc2(5)*N(3)*N(2);
R(2)=kmc2(6)*N(5)*N(4);
R(3)=kmc2(1)*N(5)*N(1);
R(4)=kmc2(4)*N(5)*N(1);
R(5)=kmc2(3)*N(5)*N(6)+kmc(4)*N(5)*N(6);
Rt=sum(R);
P=[R(1)/Rt (R(1)+R(2))/Rt (R(1)+R(2)+R(3))/Rt (R(1)+R(2)+R(3)+R(4))/Rt (R(1)+R(2)+R(3)+R(4)+R(5))/Rt];
Pt=sum(P);
r1=rand;
r2=rand;
tau=(1/Rt)*log(1/r2);
meu=[1:1:5];
if r1<Pt
%r3=rand;
if (0<r1)&(r1<=P(1))
N(2)=N(2)-1;
N(3)=N(3)-1;
N(4)=N(4)+1;
N(5)=N(5)+1;
% r4=rand
elseif (P(1)<r1)&(r1<=P(2))
N(5)=N(5)-1;
N(2)=N(2)+1;
N(4)=N(4)-1;
N(3)=N(3)+1;
% r5=rand
elseif (P(2)<r1)&(r1<=P(3))
N(1)=N(1)-1;
N(5)=N(5)-1;
N(6)=N(6)+1;
% r6=rand
elseif (P(3)<r1)&(r1<=P(4))
N(1)=N(1)-1;
N(7)=N(7)+1;
%r7=rand
elseif (P(4)<r1)&(r1<=P(5))
N(5)=N(5)-2;
N(7)=N(7)+2;
end
NN(iter,:)=N;
N(1,:)=NN(iter,:);
%
else
"mistake"
end
% iter=iter+1;
%NN(iter,:)=N;
%plot(t_save,NN(:,2))
end
%y=N(2)./(NA*v)
NN(n,:)=N;
N(1,:)=NN(n,:);
Rt_save(n,:)=Rt;
t_save(n,:) =t;
tau_save(n,:)=tau;
y=(N(1)./NN(:,1));
y=vpa(y);
z=100*(NN(:,1)/N(1));
figure (1)
plot(t_save,y,'-s')
xlabel('polymerization Time(s)');
ylabel('(M0/M)')
figure (2)
plot(t_save,z,'-o')
xlabel('polymerization Time(s)');
ylabel('Conversion')
% hold on
t=t+tau;
end
toc
  4 个评论
Geoff Hayes
Geoff Hayes 2019-3-13
Try preallocating or pre-sizing those arrays that you update on each iteration of the loop (this would be NN and N for example). See preallocation for details.

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