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Numerical solution of an ODE system
arising in photosynthesis
Rabindra Gurung
September 10, 2014
OUTLINE
Introduction
Stages of photosynthesis
Objectives of dissertation
OUTLINE
Introduction
Stages of photosynthesis
Objectives of dissertation
System of differential equations
OUTLINE
Introduction
Stages of photosynthesis
Objectives of dissertation
System of differential equations
Steady-states, stability and stiffness of 3 ODEs
OUTLINE
Introduction
Stages of photosynthesis
Objectives of dissertation
System of differential equations
Steady-states, stability and stiffness of 3 ODEs
Steady-states, stability and stiffness of 2 ODEs
OUTLINE
Introduction
Stages of photosynthesis
Objectives of dissertation
System of differential equations
Steady-states, stability and stiffness of 3 ODEs
Steady-states, stability and stiffness of 2 ODEs
Results between 3 and 2 ODEs
OUTLINE
Introduction
Stages of photosynthesis
Objectives of dissertation
System of differential equations
Steady-states, stability and stiffness of 3 ODEs
Steady-states, stability and stiffness of 2 ODEs
Results between 3 and 2 ODEs
Asymptotic analysis of 3 ODEs
OUTLINE
Introduction
Stages of photosynthesis
Objectives of dissertation
System of differential equations
Steady-states, stability and stiffness of 3 ODEs
Steady-states, stability and stiffness of 2 ODEs
Results between 3 and 2 ODEs
Asymptotic analysis of 3 ODEs
Sensitivity to the unknown parameters for 3 ODEs
OUTLINE
Introduction
Stages of photosynthesis
Objectives of dissertation
System of differential equations
Steady-states, stability and stiffness of 3 ODEs
Steady-states, stability and stiffness of 2 ODEs
Results between 3 and 2 ODEs
Asymptotic analysis of 3 ODEs
Sensitivity to the unknown parameters for 3 ODEs
Comparison of 3 odes solved by Explicit Euler and ode23s
OUTLINE
Introduction
Stages of photosynthesis
Objectives of dissertation
System of differential equations
Steady-states, stability and stiffness of 3 ODEs
Steady-states, stability and stiffness of 2 ODEs
Results between 3 and 2 ODEs
Asymptotic analysis of 3 ODEs
Sensitivity to the unknown parameters for 3 ODEs
Comparison of 3 odes solved by Explicit Euler and ode23s
Conclusion and future work
Introduction
• Photosynthesis is the process that converts light energy
into chemical energy.
• Photosynthesis removes CO2 and releases O2 into the
atmosphere.
This dissertation is concerned with the numerical solution of a
system of nonlinear ordinary differential equations (ODEs)
which arise in photosynthetic dynamics due to light variation,
which has been investigated experimentally in dark and light
reactions.
Stages of photosynthesis
Photosynthesis includes “Light reactions” and “Dark
reactions”.
Stages of photosynthesis
Photosynthesis includes “Light reactions” and “Dark
reactions”.
1. Light reactions
• Capture light energy from sunlight.
• Split H2O and produce ATP and NADPH.
• Release O2 as waste product.
Stages of photosynthesis
Photosynthesis includes “Light reactions” and “Dark
reactions”.
1. Light reactions
• Capture light energy from sunlight.
• Split H2O and produce ATP and NADPH.
• Release O2 as waste product.
2. Dark reactions
• Does not require light.
• Use ATP and NADPH from CO2.
• Synthesize organic molecules like carbohydrates, glucose.
Objectives of dissertation
• to study the steady-states, stability and stiffness of the
system,
• to get numerical solutions using ode solver ode23s,
• to study the initial asymptotic behaviour of the system,
• to compare results solved by ode23s and Explicit Euler
scheme,
• to compare the results of 3 and 2 ODEs model,
• to discuss the sensitivity of unknown parameters of the
system.
System of differential equations
• The downstream processes are modelled as
dChlaON
dt
= αIChlaOFF
+ ChlaON
(−kf − kd − knE − kpQ)
• Non photochemical processes are modelled as
dSON
dt
= λbChlaON
SOFF
− λr QSON
• Photochemical processes are modelled as
dQON
dt
= kpQChlaON
− γQON
.
Parameters used in system
Table 1: Parameters and their meanings.
Non dimensionlization of 3 ODEs
The non-dimensionalized equations of the system of 3 ODEs
dc
dt
= αI(1 − c) + c(−kf − kd − kns − kp(1 − q))
ds
dt
= λbPC c(1 − s) − λr (1 − q) s
dq
dt
= kp(1 − q)
PC
PQ
c − γ q
The non-dimensionalized nonlinear equations were used to
seek the results of the systems.
Steady-States of 3 ODEs
Before finding the Steady-States of 3 ODEs, we apply the
Descartes rule of signs into the system of 3 ODEs
• to show the steady-states are positive which lies between
0 and 1.
Then we used Newton Raphson method to find the
steady-states of the system
Table 2: Steady-states of 3 ODEs for c, s and q
Stability of 3 ODEs
• We have already determined the steady state values of c,
s, q which we call c, s and q
c = c + δ, s = s + σ, q = q + β
where δ, σ and β are small quantities termed
perturbations.
Stability of 3 ODEs
• We have already determined the steady state values of c,
s, q which we call c, s and q
c = c + δ, s = s + σ, q = q + β
where δ, σ and β are small quantities termed
perturbations.
• The eigenvalues of perturbations terms gives negatives.
Stability of 3 ODEs
• We have already determined the steady state values of c,
s, q which we call c, s and q
c = c + δ, s = s + σ, q = q + β
where δ, σ and β are small quantities termed
perturbations.
• The eigenvalues of perturbations terms gives negatives.
• Hence stability of the steady-state is stable.
Stiffness of 3 ODEs
• We need to find the condition number of Jacobian at the
initial time to know the initial stiffness of the system.
cond(J) ≈ 1012
where cond(J) is max|λJ |
min|λJ |
• The system of 3 ODEs is extremely stiff
Therefore stiff solver ode23s was used to solve the system of
3 ODEs.
System of 2 ODEs
Systems of 3 ODEs can be reduced to a systems of 2 ODEs
dc
dt
= αI(1 − c) + c(−kf − kd − kns − kp(1 − q)) (1)
Equation (1) presents a very fast process and is therefore can
be set to zero after a short time. Rearranging the equation
with dc
dt
= 0 for c gives
c =
α I
(αI + kf + kd + kns + kp(1 − q))
.
System of 2 ODEs
Substituting the value of c into two remaining equations of
the 3 ODEs system gives
ds
dt
=
αIλbPC (1 − s)
(αI + kf + kd + kns + kp(1 − q))
− λr (1 − q) s
dq
dt
=
kp(1 − q)PC αI
PQ(αI + kf + kd + kns + kp(1 − q))
− γ q.
Steady-States and stability of 2 ODEs
• Descartes rule of signs tell us there is a unique steady
states of c, s and q which is positive and lies between 0
and 1
Steady-States and stability of 2 ODEs
• Descartes rule of signs tell us there is a unique steady
states of c, s and q which is positive and lies between 0
and 1
• Newton Raphson method to find the steady-states of
2 ODEs
Steady-States and stability of 2 ODEs
• Descartes rule of signs tell us there is a unique steady
states of c, s and q which is positive and lies between 0
and 1
• Newton Raphson method to find the steady-states of
2 ODEs
• Just like 3 ODEs the stability of steady states of 2 ODES
was stable.
Stiffness of 2 ODEs
• Condition number of Jacobian at the initial time of 2
ODEs
cond(J) ≈ 54
• The system of 2 ODEs is less stiff compared to 3 ODEs
We stiff used stiff solver ode23s to solve the system of 2
ODEs.
Results between 3 and 2 ODEs
• Steady-states and stability of 3 and 2 ODEs are same
• Stiffness of 3 and 2 ODEs are different
• Using stiff solver ode23s both systems have same
behaviour of s and q
• The initial behaviour of c are different for both systems
which was solved by ode23s
Results between 3 and 2 ODEs
Figure 1: Overplots of 3 and 2 ODEs for c using a final time =0.2
but different tolerance 10−11 (3 ODEs) and 10−4 (2 ODEs).
Asymptotic analysis of 3 ODE
• expansion in terms of a small parameters
• first terms of expansion was zero terms
• second terms of expansion was dominant terms
• expansion up to third terms and neglect after that terms
Asymptotic analysis of 3 ODE
Figure 2: 3 Asymptotic Expansion and 3 normal ODEs of c, s and
q which shows same.
Asymptotic analysis of 3 ODE
Figure 3: 3 Separation point for asymptotic expansion and 3
normal ODEs of c, s and q.
Sensitivity to the unknown parameters for 3 ODEs
Three unknown parameters are
1. γ
2. λr
3. λb
• changing values of 3 unknown parameters one at a time
• plot the results of the perturbed solutions with actual
solutions together
• smaller errors in total between the actual and perturbed
values of the parameters
• γ = 2.74, λr = 835 and λb = 0.0087 seems reasonable
Comparison of 3 odes solved by Explicit Euler and
ode23s
Figure 4: 3 ODEs solved by Euler Explicit scheme.
Comparison of 3 odes solved by Explicit Euler and
ode23s
Figure 5: 3 ODEs solved by ode23s.
Conclusion and future work
1. Conclusion
• stiff ODESs was successfully solved numerically
• manage to get same results solved from steady-state
approach and dynamic approach
• asymptotic expansion gave detailed behaviour of the
system close to the initial state
Conclusion and future work
1. Conclusion
• stiff ODESs was successfully solved numerically
• manage to get same results solved from steady-state
approach and dynamic approach
• asymptotic expansion gave detailed behaviour of the
system close to the initial state
2. Future work
• asymptotic analysis of 2 ODEs
• to explore more of 2 ODEs in terms of stiffness
• to look at matched asymptotic expansions of 3 ODES

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Dissertation

  • 1. Numerical solution of an ODE system arising in photosynthesis Rabindra Gurung September 10, 2014
  • 3. OUTLINE Introduction Stages of photosynthesis Objectives of dissertation System of differential equations
  • 4. OUTLINE Introduction Stages of photosynthesis Objectives of dissertation System of differential equations Steady-states, stability and stiffness of 3 ODEs
  • 5. OUTLINE Introduction Stages of photosynthesis Objectives of dissertation System of differential equations Steady-states, stability and stiffness of 3 ODEs Steady-states, stability and stiffness of 2 ODEs
  • 6. OUTLINE Introduction Stages of photosynthesis Objectives of dissertation System of differential equations Steady-states, stability and stiffness of 3 ODEs Steady-states, stability and stiffness of 2 ODEs Results between 3 and 2 ODEs
  • 7. OUTLINE Introduction Stages of photosynthesis Objectives of dissertation System of differential equations Steady-states, stability and stiffness of 3 ODEs Steady-states, stability and stiffness of 2 ODEs Results between 3 and 2 ODEs Asymptotic analysis of 3 ODEs
  • 8. OUTLINE Introduction Stages of photosynthesis Objectives of dissertation System of differential equations Steady-states, stability and stiffness of 3 ODEs Steady-states, stability and stiffness of 2 ODEs Results between 3 and 2 ODEs Asymptotic analysis of 3 ODEs Sensitivity to the unknown parameters for 3 ODEs
  • 9. OUTLINE Introduction Stages of photosynthesis Objectives of dissertation System of differential equations Steady-states, stability and stiffness of 3 ODEs Steady-states, stability and stiffness of 2 ODEs Results between 3 and 2 ODEs Asymptotic analysis of 3 ODEs Sensitivity to the unknown parameters for 3 ODEs Comparison of 3 odes solved by Explicit Euler and ode23s
  • 10. OUTLINE Introduction Stages of photosynthesis Objectives of dissertation System of differential equations Steady-states, stability and stiffness of 3 ODEs Steady-states, stability and stiffness of 2 ODEs Results between 3 and 2 ODEs Asymptotic analysis of 3 ODEs Sensitivity to the unknown parameters for 3 ODEs Comparison of 3 odes solved by Explicit Euler and ode23s Conclusion and future work
  • 11. Introduction • Photosynthesis is the process that converts light energy into chemical energy. • Photosynthesis removes CO2 and releases O2 into the atmosphere. This dissertation is concerned with the numerical solution of a system of nonlinear ordinary differential equations (ODEs) which arise in photosynthetic dynamics due to light variation, which has been investigated experimentally in dark and light reactions.
  • 12. Stages of photosynthesis Photosynthesis includes “Light reactions” and “Dark reactions”.
  • 13. Stages of photosynthesis Photosynthesis includes “Light reactions” and “Dark reactions”. 1. Light reactions • Capture light energy from sunlight. • Split H2O and produce ATP and NADPH. • Release O2 as waste product.
  • 14. Stages of photosynthesis Photosynthesis includes “Light reactions” and “Dark reactions”. 1. Light reactions • Capture light energy from sunlight. • Split H2O and produce ATP and NADPH. • Release O2 as waste product. 2. Dark reactions • Does not require light. • Use ATP and NADPH from CO2. • Synthesize organic molecules like carbohydrates, glucose.
  • 15. Objectives of dissertation • to study the steady-states, stability and stiffness of the system, • to get numerical solutions using ode solver ode23s, • to study the initial asymptotic behaviour of the system, • to compare results solved by ode23s and Explicit Euler scheme, • to compare the results of 3 and 2 ODEs model, • to discuss the sensitivity of unknown parameters of the system.
  • 16. System of differential equations • The downstream processes are modelled as dChlaON dt = αIChlaOFF + ChlaON (−kf − kd − knE − kpQ) • Non photochemical processes are modelled as dSON dt = λbChlaON SOFF − λr QSON • Photochemical processes are modelled as dQON dt = kpQChlaON − γQON .
  • 17. Parameters used in system Table 1: Parameters and their meanings.
  • 18. Non dimensionlization of 3 ODEs The non-dimensionalized equations of the system of 3 ODEs dc dt = αI(1 − c) + c(−kf − kd − kns − kp(1 − q)) ds dt = λbPC c(1 − s) − λr (1 − q) s dq dt = kp(1 − q) PC PQ c − γ q The non-dimensionalized nonlinear equations were used to seek the results of the systems.
  • 19. Steady-States of 3 ODEs Before finding the Steady-States of 3 ODEs, we apply the Descartes rule of signs into the system of 3 ODEs • to show the steady-states are positive which lies between 0 and 1. Then we used Newton Raphson method to find the steady-states of the system Table 2: Steady-states of 3 ODEs for c, s and q
  • 20. Stability of 3 ODEs • We have already determined the steady state values of c, s, q which we call c, s and q c = c + δ, s = s + σ, q = q + β where δ, σ and β are small quantities termed perturbations.
  • 21. Stability of 3 ODEs • We have already determined the steady state values of c, s, q which we call c, s and q c = c + δ, s = s + σ, q = q + β where δ, σ and β are small quantities termed perturbations. • The eigenvalues of perturbations terms gives negatives.
  • 22. Stability of 3 ODEs • We have already determined the steady state values of c, s, q which we call c, s and q c = c + δ, s = s + σ, q = q + β where δ, σ and β are small quantities termed perturbations. • The eigenvalues of perturbations terms gives negatives. • Hence stability of the steady-state is stable.
  • 23. Stiffness of 3 ODEs • We need to find the condition number of Jacobian at the initial time to know the initial stiffness of the system. cond(J) ≈ 1012 where cond(J) is max|λJ | min|λJ | • The system of 3 ODEs is extremely stiff Therefore stiff solver ode23s was used to solve the system of 3 ODEs.
  • 24. System of 2 ODEs Systems of 3 ODEs can be reduced to a systems of 2 ODEs dc dt = αI(1 − c) + c(−kf − kd − kns − kp(1 − q)) (1) Equation (1) presents a very fast process and is therefore can be set to zero after a short time. Rearranging the equation with dc dt = 0 for c gives c = α I (αI + kf + kd + kns + kp(1 − q)) .
  • 25. System of 2 ODEs Substituting the value of c into two remaining equations of the 3 ODEs system gives ds dt = αIλbPC (1 − s) (αI + kf + kd + kns + kp(1 − q)) − λr (1 − q) s dq dt = kp(1 − q)PC αI PQ(αI + kf + kd + kns + kp(1 − q)) − γ q.
  • 26. Steady-States and stability of 2 ODEs • Descartes rule of signs tell us there is a unique steady states of c, s and q which is positive and lies between 0 and 1
  • 27. Steady-States and stability of 2 ODEs • Descartes rule of signs tell us there is a unique steady states of c, s and q which is positive and lies between 0 and 1 • Newton Raphson method to find the steady-states of 2 ODEs
  • 28. Steady-States and stability of 2 ODEs • Descartes rule of signs tell us there is a unique steady states of c, s and q which is positive and lies between 0 and 1 • Newton Raphson method to find the steady-states of 2 ODEs • Just like 3 ODEs the stability of steady states of 2 ODES was stable.
  • 29. Stiffness of 2 ODEs • Condition number of Jacobian at the initial time of 2 ODEs cond(J) ≈ 54 • The system of 2 ODEs is less stiff compared to 3 ODEs We stiff used stiff solver ode23s to solve the system of 2 ODEs.
  • 30. Results between 3 and 2 ODEs • Steady-states and stability of 3 and 2 ODEs are same • Stiffness of 3 and 2 ODEs are different • Using stiff solver ode23s both systems have same behaviour of s and q • The initial behaviour of c are different for both systems which was solved by ode23s
  • 31. Results between 3 and 2 ODEs Figure 1: Overplots of 3 and 2 ODEs for c using a final time =0.2 but different tolerance 10−11 (3 ODEs) and 10−4 (2 ODEs).
  • 32. Asymptotic analysis of 3 ODE • expansion in terms of a small parameters • first terms of expansion was zero terms • second terms of expansion was dominant terms • expansion up to third terms and neglect after that terms
  • 33. Asymptotic analysis of 3 ODE Figure 2: 3 Asymptotic Expansion and 3 normal ODEs of c, s and q which shows same.
  • 34. Asymptotic analysis of 3 ODE Figure 3: 3 Separation point for asymptotic expansion and 3 normal ODEs of c, s and q.
  • 35. Sensitivity to the unknown parameters for 3 ODEs Three unknown parameters are 1. γ 2. λr 3. λb • changing values of 3 unknown parameters one at a time • plot the results of the perturbed solutions with actual solutions together • smaller errors in total between the actual and perturbed values of the parameters • γ = 2.74, λr = 835 and λb = 0.0087 seems reasonable
  • 36. Comparison of 3 odes solved by Explicit Euler and ode23s Figure 4: 3 ODEs solved by Euler Explicit scheme.
  • 37. Comparison of 3 odes solved by Explicit Euler and ode23s Figure 5: 3 ODEs solved by ode23s.
  • 38. Conclusion and future work 1. Conclusion • stiff ODESs was successfully solved numerically • manage to get same results solved from steady-state approach and dynamic approach • asymptotic expansion gave detailed behaviour of the system close to the initial state
  • 39. Conclusion and future work 1. Conclusion • stiff ODESs was successfully solved numerically • manage to get same results solved from steady-state approach and dynamic approach • asymptotic expansion gave detailed behaviour of the system close to the initial state 2. Future work • asymptotic analysis of 2 ODEs • to explore more of 2 ODEs in terms of stiffness • to look at matched asymptotic expansions of 3 ODES