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Text File  |  2000-03-03  |  2KB  |  50 lines
  1. @CLASSNAME:RandomUniBiReactor
  2. @BASECLASS:FluxReactor
  3. @BRIEF_DESCRIPTION: Random Uni Bi reaction system
  4.  
  5. #%VERSION: E-CELL, Reactor
  6. %VERSION: ecs-v09, 0.1
  7. @DATE: 30/6/1999
  8.  
  9. @AUTHOR: Masayuki Okayama
  10. @EMAIL: t98204mo@sfc.keio.ac.jp
  11.  
  12. @DESCRIPTION: A reactor class for a random bireactant system in the Uni Bi direction.
  13.  
  14. @EQUATION:$$v=\frac{M(P)\:[E]}{Den}$$\\
  15. Where\\
  16. $M(P)=k_{+1}k_{+4}k_{+5}(k_{+2}+k_{+3})[S_{1}]+k_{+1}k_{+2}k_{+4}k_{-3}[S_{1}][P_{1}]+k_{-1}(-k_{-2}k_{-4}k_{+5}-k_{+4}k_{-3}k_{-5})[P_{1}][P_{2}]+k_{+1}k_{-2}k_{+3}k_{+5}[S_{1}][P_{2}]-k_{-1}k_{-2}k_{-4}k_{-3}[P_{1}]^{2}[P_{2}]-k_{-1}k_{-2}k_{-3}k_{-5}[P_{1}][P_{2}]^{2}$\\
  17. Where\\
  18. $Den=k_{+4}k_{+5}(k_{-1}+k_{+2}+k_{+3})+k_{+1}(k_{+2}k_{+5}+k_{+4}k_{+5}+k_{+4}k_{+3})[S_{1}]+(k_{-1}k_{-2}k_{+5}+k_{-2}k_{+3}k_{+5}+k_{-1}k_{+4}k_{-5}+k_{+2}k_{+4}k_{-5}+k_{+4}k_{+3}k_{-5})[P_{2}]+(k_{-1}k_{+4}k_{-3}+k_{+2}k_{+4}k_{-3}+k_{-1}k_{-4}k_{+5}+k_{+2}k_{-4}k_{+5}+k_{-4}k_{+3}k_{+5})[P_{1}]+k_{+1}k_{-3}(k_{+2}+k_{+4})[S_{1}][P_{1}]+k_{+1}k_{-2}(k_{+5}+k_{+3})[S_{1}][P_{2}]+(k_{-1}k_{-2}k_{-3}+k_{-2}k_{-4}k_{+5}+k_{-2}k_{-4}k_{+3}+k_{+2}k_{-3}k_{-5}+k_{+4}k_{-3}k_{-5})[P_{1}][P_{2}]+k_{-4}k_{-3}(k_{-1}+k_{+2})[P_{1}]^{2}+k_{-2}k_{-5}(k_{-1}+k_{+3})[P_{2}]^{2}+k_{+1}k_{-2}k_{-3}[S_{1}][P_{1}][P_{2}]+k_{-2}k_{-4}k_{-3}[P_{1}]^{2}[P_{2}]+k_{-2}k_{-3}k_{-5}[P_{1}][P_{2}]^{2}$\\
  19.  
  20. %SUBSTANCE: Substrate,1 ,1 ,
  21. %SUBSTANCE: Product, 2, 2,
  22. %SUBSTANCE: Catalyst, 1, 1,
  23.  
  24. %PARAMETER:k1, Float,
  25. %PARAMETER:k_1, Float,
  26. %PARAMETER:k2, Float,
  27. %PARAMETER:k_2, Float,
  28. %PARAMETER:k4, Float,
  29. %PARAMETER:k_4, Float,
  30. %PARAMETER:k3, Float,
  31. %PARAMETER:k_3, Float,
  32. %PARAMETER:k5, Float,
  33. %PARAMETER:k_5, Float,
  34.  
  35. @REACT_FUNC:
  36.  
  37. Float velocity = catalyst(0)->quantity();
  38. Float P1= product(0)->concentration();
  39. Float P2= product(1)->concentration();
  40. Float S1= substrate(0)->concentration();
  41.  
  42. Float MP = k1*k4*k5*(k2+k3)*S1+k1*k2*k4*k_3*S1*P1+k_1*(k_2*k_4*k5-k4*k_3*k_5)*P1*P2+k1*k_2*k3*k5*S1*P2-k_1*k_2*k_4*k_3*pow(P1,2)*P2-k_1*k_2*k_3*k_5*P1*pow(P2,2);
  43.  
  44. Float Den= k4*k5*(k_1+k2+k3)+k1*(k2*k5+k4*k5+k4*k3)*S1+(k_1*k_2*k5+k_2*k3*k5+k_1*k4*k_5+k2*k4*k_5+k4*k3*k_5)*P2+(k_1*k4*k_3+k2*k4*k_3+k_1*k_4*k5+k2*k_4*k5+k_4*k3*k5)*P1+k1*k_3*(k2+k4)*S1*P1+k1*k_2*(k5+k3)*S1*P2+(k_1*k_2*k_3+k_2*k_4*k5+k_2*k_4*k3+k2*k_3*k_5+k4*k_3*k_5)*P1*P2+k_4*k_3*(k_1+k2)*pow(P1,2)+k_2*k_5*(k_1+k3)*pow(P2,2)+k1*k_2*k_3*S1*P1*P2+k_2*k_4*k_3*pow(P1,2)*P2+k_2*k_3*k_5*P1*pow(P2,2);
  45.  
  46. velocity *= MP;
  47. velocity /= Den;
  48.  
  49. process(velocity);
  50.