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**Continuous Stirred Tank Reactor (CSTR)
**

Audrey Favache ∗ Denis Dochain ∗∗

∗

**Universit´e catholique de Louvain, Unit´e d’ing´eni´erie des mat´eriaux et
**

proc´ed´es, B-1348 Louvain-la-neuve; Universit´e catholique de Louvain,

CESAME, B-1348 Louvain-la-neuve (e-mail:

audrey.favache@uclouvain.be).

∗∗

Universit´e catholique de Louvain, CESAME,

B-1348 Louvain-la-neuve (e-mail: denis.dochain@uclouvain.be).

**Abstract: The exothermic continuous stirred tank reactor (CSTR) is a classical yet complex
**

case study of nonlinear dynamical systems. Power-shaping control is a recent approach for the

control of nonlinear systems based on the physics of the dynamical system. In this paper we

present a general methodology to apply the power-shaping control approach to the exothermic

CSTR study case. It results in a global Lyapunov function for the exothermic CSTR. This

Lyapunov function is then reshaped by the means of a controller in order to stabilize the

process at a desired temperature. Some considerations on the local and global convergence to

the desired state are presented.

Keywords: Nonlinear control; Power-Shaping Control; exothermic CSTR

1. INTRODUCTION

Thermodynamic systems, and among them chemical reaction systems, are usually nonlinear dynamical systems.

They can therefore have a complex behaviour and be

diﬃcult to analyze and to control. Stability analysis of nonlinear systems requires the use of abstract mathematical

tools such as the two Lyapunov methods or the passivity

theory. Over the past years, several works have combined

those abstract concepts with the underlying physical phenomena giving rise to the dynamical behaviour of the

system. These works include for instance the study of portHamiltonian systems (Dalsmo and van der Schaft (1998),

Maschke and van der Schaft (2005), Eberard et al. (2006)),

energy-balancing passivity based control (PBC) (Ortega

et al. (2001), Jeltsema et al. (2004)) or the introduction

of the contact formalism for expressing the dynamics of

systems in which irreversible phenomena arise (Eberard

et al. (2005), Eberard (2006), Favache et al. (2007)).

The exothermic continuous stirred tank reactor (CSTR)

is a classical study case of nonlinear systems. Indeed,

the dynamical behaviour shows complex features, such as

multiple equilibrium points. Up to now no exact physical

interpretation of the complex behaviour of the exothermic

reactor has been found (Favache and Dochain (2009)).

Power-shaping control (Ortega et al. (2003)) has been

developed in the past years as an extension of energybalancing passivity-based control (Ortega et al. (2001),

Jeltsema et al. (2004)). In energy-balancing passivity

based control, the controller reshapes the energy function

of the system so that it has a minimum at the desired

equilibrium point. The controller provides to the system

The work of A. Favache is funded by a grant of aspirant of Fonds

National de la Recherche Scientiﬁque (Belgium).

**a ﬁnite amount of energy so as to drive the system to
**

the desired state. This concept has been widely applied to

electro-mechanical systems (Ortega et al. (1999), Maschke

et al. (2000), Ortega et al. (2002)) but also to thermodynamic systems where the storage function is the entropy

instead of the energy (Alonso et al. (2002), Otero-Muras

et al. (2006)). Nevertheless energy-balancing passivitybased control can only be applied to systems without pervasive dissipation, i.e. systems where the power provided

by the controller is equal to zero at the desired equilibrium

point. To overcome this diﬃculty the concept of power

shaping control was introduced ﬁrstly for the stabilization

of nonlinear RLC circuits (Ortega et al. (2003)). Contrary

to energy-balancing passivity-based control, the storage

function used for the control is related to the power and

not to the energy. Power-shaping control has subsequently

been applied to the control of mechanical and electromechanical systems (Garcia-Canseco et al. (2008)). Powershaping control is based on a particular formulation of the

system dynamics, namely the Brayton-Moser equations

(Brayton and Moser (1964a), Brayton and Moser (1964b)).

Although the ﬁrst systems which have been described

using this formalism are electrical circuits, it is shown

in Jeltsema and Scherpen (2003), Jeltsema and Scherpen

(2007) and Garcia-Canseco et al. (2008) that mechanical

systems can also been expressed in this form.

As the work of Alonso, Ydstie and coworkers (see e.g.

Alonso et al. (2002), Antelo et al. (2007), Farschman et al.

(1998)), the present research is basically motivated by the

objective to connect thermodynamics with process control

design (see also Favache and Dochain (2009)). In this paper

we apply power-shaping control to the exothermic CSTR

case study with the aim of bringing more physical insight

in its dynamical behaviour. After a brief presentation of

i. namely systems with more than one reactant. In order to simplify the model. and/or more than one reaction. The state of the system is given by the vector x ∈ Rn and the input is given by vector u ∈ Rm . In this formulation the system dynamics are of the following form: dx = ∇P (x) + G (x) u (1) Q (x) dt where Q (x) : Rn → Rn × Rn is a non-singular square matrix. 2. lim T →0 1 These assumptions on k (T ) are for instance fulﬁlled by the commonly used Arrhenius law. Additionally the symmetric part of the matrix Q (x) is negative semi-deﬁnite. depending only on the temperature T and nA is the number of moles of component A. the reader can refer to Jeltsema and Scherpen (2003). we have applied the power-shaping methodology to a classical process control case study: the exothermic continuous stirred tank reactor (CSTR). The system (3) can be written in the form (1) if there exists a non-singular matrix Q (x) fulﬁlling (2) and that solves following partial diﬀerential equation: (4) ∇ (Q (x) f (x)) = ∇t (Q (x) f (x)) This condition is equivalent to the existence of the potential function P (x) (i. illustrated in Figure 1. In both cases. (2003).e.: (2) Q (x) + Qt (x) 0 The function P (x) is called the potential function. The function Pd (x) cannot be arbitrarily chosen since the following relation has to be fulﬁlled: (6) g ⊥ (x) Q−1 (x) ∇Pa (x) = 0 ⊥ where g (x) : Rn → Rn−m × Rn is a full-rank left annihilator of g (x) (i. The desired equilibrium point x∗ must be a local minimum of the potential function Pd (x) in order to be locally asymptotically stable. independent of the temperature or of the composition). Jeltsema and Scherpen (2007)) while it is related to the Rayleigh dissipation function (Jeltsema and Scherpen (2003)) in mechanical systems. THE EXOTHERMIC CONTINUOUS STIRRED TANK REACTOR (CSTR) In our research. The function k (T ) is assumed to be monotonically increasing. The statements are given without any proof. First we shall use the power-shaping approach to analyze the open-loop behaviour (Section 4) and then to design a control action (Section 5). we brieﬂy explain the principles of powershaping control. In electrical and mechanical systems.e.e. Moreover let us assume that 1 lim k (T ) = 0. • the reaction heat is independent of the temperature. i. The reaction that is taking place is A → B. • the reaction kinetics obey to the mass action law. g ⊥ (x) g (x) = 0 with ⊥ rank g (x) = n − m) and Pa (x) = Pd (x) − P (x). the following assumptions have been considered: • the reactor is liquid phase and the volume V is constant. In electrical systems it is related to the so-called content and co-content of the resistances (Ortega et al. the potential function P (x) is related to the dissipated power in the system. The rationale of power-shaping control is to choose the input u (x) such that in closed loop the system dynamics are given by the following relation: dx = ∇Pd (x) Q (x) dt where Pd (x) : Rn → R is the reshaped potential function.1 The Brayton-Moser formulation Let us consider a dynamical system of dimension n with m inputs. • the density ρ and the speciﬁc heat cp of the mixture are constant (i. Garcia-Canseco et al. 2. its Jacobian matrix must be symmetric). The condition (6) ensures the existence of a function u (x) such that: Q (x) (f (x) + g (x) u (x)) = ∇P (x) + ∇Pa (x) Under these conditions. the control input u (x) that achieves to reshape P (x) into Pd (x) is the following one: −1 t u (x) = Gt (x) G (x) G (x) ∇Pa (x) (7) where G (x) = Q (x) g (x) 3. Ortega et al. POWER-SHAPING CONTROL In this section. This one is the solution of the following partial diﬀerential equation system: ∇P (x) = Q (x) f (x) (5) Finally the function G (x) is given by the following relation: G (x) = Q (x) g (x) 2.2 Power-shaping control Let us assume that the system dynamics can be expressed using the Brayton-Moser equations presented above. if the potential function P (x) exists. For more details.e. Brayton and Moser (1964b)). • the reaction is irreversible. The desired equilibrium state is denoted by x∗ . Finally Section 6 presents some general comments on the possibility of extending the power-shaping approach to more complex systems. Jeltsema and Scherpen (2007). Let us now assume that the system dynamics are given by the following relation: dx = f (x) + g (x) u (3) dt where f (x) : Rn → Rn and g (x) : Rn → Rn × Rm . (2008). (2003). lim k (T ) = k0 T →0 and T →∞ dk dk = lim =0 T →∞ dT dT • the dynamics of the jacket can be neglected. the potential function has the units of power. P (x) : Rn → R is a scalar function of the state and G (x) : Rn → Rn × Rm . r = k (T ) nA where k (T ) is the kinetic constant.the main principles of power-shaping control in Section 2 and of the CSTR case study in Section 3. we shall apply the power-shaping control theory to our example.e. The power-shaping control theory is based on the Brayton-Moser formulation of the system dynamics (Brayton and Moser (1964a). .

j) of the matrix Q (nA .∂q11 ∂T ∂q12 + (δ (Tin − T ) + γknA ) ∂T ∂q21 in = −q21 δ − q21 k + q22 γk + δ CA V − nA − knA ∂nA ∂q22 (δ (Tin − T ) + γknA ) + ∂nA (9) + h (Tw − T ) nA . T ). 1. Aris and Amundson (1958). T ] . V T . The general form of the potential form is given by the following expression: P (nA . T ) = p (T ) dT . ql h ρcp V 0 Tw − T . Using the notations of (3). u = dk dk − q12 δ + q12 γnA dT dT in δ CA V − nA − knA − q11 nA CAin . Remark 1. depending on the numerical values of the parameters (see e. we shall treat them in the sequel as one unique matrix. It acts directly on the heat transfer coeﬃcient h. In our case. two being stable and one being unstable. for u = 0). Therefore we shall consider in the sequel that the control input is the quantity ρchp V . Tin is the inlet temperature. we have: in δ CA V − nA − k (T ) nA f (x) = δ (Tin − T ) + γk (T ) nA g (x) = t with x = [nA . with h the heat exchange coeﬃcient. Here we shall consider the case with three equilibrium states. The ﬁrst step was to ﬁnd the square matrix Q (x) that meets the required properties (2) and (4).δ= ql V and γ = (−Δr H) ρcp V . Indeed a family of possible matrices Q (nA . This algebraic equation then has been solved and a possible matrix has been found 2 . ql Fig. 4. the symmetric part of matrix Q (x) was found to be deﬁnite negative. Tin . Uppal et al.g. (1974)). THE OPEN LOOP BEHAVIOUR The methodology described in Section 2. We ﬁrst transformed (9) into an algebraic equation by restricting ourselves to a subset of possible matrices Q (nA . But since they all have a similar form apart from a constant parameter. • the system is controlled by the cooling ﬂuid ﬂow rate. Under these assumptions the dynamic model of the system is given by following equations: ⎧ dnA ql in ⎪ ⎪ = CA V − nA − k (T ) nA ⎪ ⎪ dt V ⎪ ⎨ dT (−Δr H) ql = (Tin − T ) + k (T ) nA (8) dt V ρcp V ⎪ ⎪ ⎪ h ⎪ ⎪ ⎩ + (Tw − T ) ρcp V in where ql is the volumetric inlet and outlet ﬂow rate. It can be shown that this system can have up to three equilibrium points in open loop (i.e. Next the potential function is found by integrating (5).1 has been applied to the system described in Section 3. The partial diﬀerential equation (4) for the open-loop CSTR is written as follows: where qij is the entry in position (i. T ) has been found that both satisfy (2) and (4). Schematic view of the CSTR • the heat exchange between the reactor and the jacket is proportional to the temperature diﬀerence between them. T ). (−Δr H) is the reaction heat and Tw is the temperature of the cooling ﬂuid. CA is the inlet concentration of A.

The variation of function P (x) along the trajectories of the system are given by the following relation: 2 Calculation details can be found in Favache and Dochain (2008). there is a corresponding family of functions p (T ) that are similar apart from a constant parameter.e. Let us now consider the equilibrium points x ¯= n ¯ A . ∇P (¯ x) = 0) and conversely. Since we have found a family of matrices Q (x). Remark 2.2 in V − nA + T in − T (10) + ω γ CA where ω is a positive constant and p (T ) : R → R is a nonlinear function of k (T ) and T . T¯ of the open-loop CSTR: dx = ∇P (¯ x) = 0 Q (¯ x) dt x¯ Since the matrix Q (x) is non-singular. . whereas the integral term is related to the reaction kinetics. The level curves of the function P (x) are given in Figure 2. Actually the function p (T ) is not unique. the equilibrium points x ¯ are also critical points of the potential function P (x) (i. The analysis of the Hessian matrix of the obtained potential function (10) at each of the equilibrium points shows that the stable ones are local minima of the function P (x) whereas the unstable one is a saddle point. It depends directly on the matrix Q (x). The quadratic term of (10) is clearly linked to the convection phenomena.

the following relation is obtained: −∇P (x∗ ) = −Q (x∗ ) f (x∗ ) = ∇Pa (x∗ ) = Q (x∗ ) g (x∗ ) u (x∗ ) Since Q (x∗ ) is invertible. The equilibrium points of the closed loop system are contained in the following set: ⎧ ⎫ in V δCA ⎨ ⎬ nA = (11) (n∗A . T ∗ ) be an equilibrium point of the closed loop system for the control input u (x). Let us consider some control input u (x) such that the closed loop system has at least one equilibrium point. But. T ) is decreasing along the trajectories. With our matrix Q (x) the solution of this partial diﬀerential equation is given as follows: Pa (nA . In our case we have chosen fa (z) to be a second order polynomial. T ) and q22 (nA . As a consequence P (nA . T ) = Tw − T (14) where WT ∗ (T ) : R∗+ → R is given by the following expression: T w (k (τ )) dτ WT ∗ (T ) = T∗ . Moreover P (x) is radially unbounded. we have: ⎧ ql in CA V − n∗A − k (T ∗ ) n∗A 0 = ⎪ ⎪ ⎨ V ql (−Δr H) (12) 0 = (Tin − T ∗ ) + k (T ∗ ) n∗A ⎪ ⎪ V ρcp V ⎩ +u (x∗ ) (Tw − T ∗ ) The ﬁrst equation can be directly rewritten as follows: Proof. (12) is obtained. Using now (7). we ﬁnd the following relation: n∗A = 400 420 440 460 480 500 520 540 Temperature [K] Fig. we have dP dt ≤ 0 where the equality holds only for ∇P (x) = 0.2. T ) are the elements of Q (x) in position (1.1 Controller design Let us denote by x∗ = [n∗A . T ∗ ] the desired equilibrium state. T ∗ ) ∈ (nA . Therefore the potential function P (nA . Let x∗ = (n∗A . T ) q22 (nA . there is no reason that the temperature of the cooling ﬂuid is exactly equal to an equilibrium temperature of the open-loop CSTR. T ) = fa nA + w (T ) dT where w (k (T )) is a rational function of the kinetic coeﬃcient k (T ). If we replace in the second equation of (12). Level curves of the potential function dP = ∇t P (x) f (x) dt = ∇t P (x) Q−1 (x) ∇P (x) −1 1 ∇P (x) = ∇t P (x) Q−1 (x) + Qt (x) 2 Since the symmetric part of Q (nA . Thus the rest of the proof of Lemma 1 also applies here. First we solve (6) using the previously found expression for the matrix Q (x). respectively. T ) =0 det Q (x) ∂nA ∂T where q12 (nA . +∞[ \ {T } ⎭ w t Proof. 2. fa (z) : R → R can be any smooth realvalued function. (11) is a necessary condition for x = (nA . 2) and (2. T ) k (T ) + δ ⎩ T ∈ ]0. T ) to be a local minimum of Pd (x). By deﬁnition of an equilibrium point. POWER-SHAPING CONTROL OF THE CSTR 5.80 separatrix 70 unstable equilibrium point Quantity of A [mol] 60 in V (−Δr H) δCA ql (Tin − Tw ) + k (Tw ) V ρcp V k (Tw ) + δ This relation implies that Tw is an equilibrium point of the open-loop system. Since the input has an eﬀect only on the temperature dynamics.e. The control action is then found by applying the methodology described in Section 2. this can be rewritten as : (13) f (x∗ ) + g (x∗ ) u (x∗ ) = 0 When replacing f (x) and g (x) by their respective expression. T ) is a global Lyapunov function for the system (Khalil (2002)). 5. T ) is negative definite. 50 0= 40 30 20 stable equilibrium point 10 0 380 in V δCA ∗ k (T ) + δ Let us now assume that T ∗ = Tw is a possible equilibrium of the open loop system. The left annihilators of g (x) are given as follows: g ⊥ (x) = [ϕ 0] with ϕ ∈ R∗ . A necessary condition for x∗ to be a local minimum of Pd (x) is the following one: ∇Pd (x∗ ) = ∇P (x∗ ) + ∇Pa (x∗ ) = 0 By replacing ∇P (x) and ∇Pa (x) by their expressions. This is stated in the following lemma: Lemma 1. 2). i. except an unlikely particular case. the control action of the following form is obtained for stabilizing the desired equilibrium point: −μ (nA − n∗A + WT ∗ (T )) + u∗ (Tw − T ∗ ) u (nA . (6) is thus written as follows: ∂Pa ∂Pa ϕ − q12 (nA . Hence Tw cannot be an equilibrium temperature of the closed-loop system. for the equilibrium points. the values of n∗A and T ∗ cannot be chosen independently. ∗ ∗ ∗ Lemma 2.

For the same reasons as stated before. the following relation has to be fulﬁlled: in V δCA (15) n# A = # k (T ) + δ Moreover. μ has to be lower bounded.e. The control action u (x) acts in (8) via the term 0 g (x) u (x) = −μ (nA − n∗A + WT ∗ (T )) + u∗ (Tw − T ∗ ) which does not depend on (Tw − T ) anymore. μ ∈ R is a parameter of the controller and u∗ is the value of the input at the equilibrium state: in V − n∗A u∗ (Tw − T ∗ ) = −δ (Tin − T ) − γδ CA In order to ensure that x∗ is a local minimum of Pd (x∗ ). 3. the system will converge to desired point if and only if the initial conditions are close enough to it. Therefore x∗ is the unique convergence point if it is the unique zero of Δ (nA ) . In Favache and Dochain (2009). if and only if x∗ is a global minimum of the function Pd (x). Therefore it can be written as follows: Δ (nA ) = Δ0 (nA ) + μΔμ (nA ) Remark 3. The equilibrium points x∗ and x# are zeros of the function Δ (nA ).2 Considerations on local and global convergence The controller designed in the previous section only guarantees a local convergence to the desired set point.Obviously WT ∗ (T ∗ ) = 0. By integrating the notations and assumptions of the present paper. the following relation has to be fulﬁlled: in V − n# δ Tin − T # + δγ CA A # ∗ = 0 (16) + u∗ (Tw − T ∗ ) − μ n# A − nA + W T ∗ T By analogy with (15). t # Let us assume that the point x# = n# is another A. let us deﬁne the function T˜# (nA ) by the following implicit relation: δC in V A k T˜# (nA ) = −δ nA Consider the following function: ˜# Δ (nA ) = δ Tin − T + δγ in CA V − nA +u∗ (Tw − T ∗ ) − μ nA − n∗A + WT ∗ T˜# where the dependence of T˜# (nA ) on nA has been omitted for sake of clarity. The bounds are obtained by imposing that the Jacobian matrix of Pd (x∗ ) is positive deﬁnite at the desired closed-loop equilibrium point.e. T local minimum of the function Pd (x). This means that the actual control input is the transferred heat which is equal to: −μ (nA − n∗A + WT ∗ (T )) + u∗ (Tw − T ∗ ) 5. we have presented several old and new results that aim at linking the thermodynamics and the system theory concepts via Δ (n ) A increasing μ * x 0 Δ (n ) 0 A Quantity of A [mol] Fig. Inﬂuence of μ on Δ (nA ) the CSTR study case 3 In this paper we have introduced a function of the state. Global convergence is ensured if and only if the shaped potential function Pd (x) does not have other local minima. for x# to be a closed loop equilibrium of (8). The function Δ (nA ) is linear in the parameter μ. denoted Δeq (T ). this function is given by the following expression: Δeq (T ) = k (T ) nA V (−Δr H) . i. i.

depending on the term μΔμ (nA ). If the function w (T ) has been adequately chosen. there is a lower bound on the parameter μ in order to ensure global convergence.3 Simulation results In this section we present some simulation results of the controlled system. 5. As a conclusion. 4 This can be deduced from the form of Δ eq (T ) in Favache and Dochain (2009) using the fact that T˜# (nA ) is a strictly decreasing function. The corresponding level curves of the potential function Pd (x) are shown for 3 In Favache and Dochain (2009) we have considered a CSTR with a reversible reaction. but decreasing on one determined interval 4 As a consequence. Then Figures 5 and 7 show the cases where only local convergence and global convergence. First the performance of the controller for reference tracking is shown in Figure 4. then Δμ (nA ) > 0 for nA > n∗A and Δμ (nA ) < 0 for nA < n∗A . Δ (nA ) can have several zeros. but the results can be applied directly for an irreversible reaction by setting the kinetic reaction coeﬃcient of the reverse reaction equal to zero. These ﬁgures show the temperature evolution for diﬀerent initial conditions. T ) (T − Tw ) + δ T − T in It can be seen directly that Δeq (T ) and Δ (nA ) are linked by the following relation: Δeq T˜# (nA ) Δ (nA ) = ρcp V It can be shown that the assumptions on the form of k (T ) described in Section 3 and the existence of three open loop equilibria implies that Δ0 (nA ) is increasing for low and high temperatures. respectively. to the desired equilibrium point is ensured. This means that if μ is chosen suﬃciently large and positive. . then the term μΔμ (nA ) reshapes the initial function Δ0 (nA ) so as to make the two undesired zeros to vanish (see Figure 3). − ρcp V u (nA .

90 locus of possible equilibrium points Quantity of A [mol] 80 70 60 other convergence point x# * desired equilibrium point x 50 40 30 340 360 380 400 420 440 460 480 500 Temperature [K] Fig. 6.750 480 700 460 650 440 600 Temperature [K] Temperature [K] 500 420 400 380 550 500 450 360 400 340 350 320 300 300 0 5 10 15 20 25 30 35 40 45 50 250 reference 0 5 10 Time [s] Fig. Temperature evolution for diﬀerent initial conditions (global convergence) 700 80 650 70 desired equilibrium point 60 Quantity of A [mol] Temperature [K] 600 550 500 450 50 locus of possible equilibrium states 40 30 reference 400 20 350 300 15 Time [s] 10 0 5 10 15 20 25 Time [s] 0 380 400 420 440 460 480 500 520 540 560 580 600 Temperature [K] Fig. In most practical applications. Let us assume that there is a modeling error on the kinetic coeﬃcient. the equilibrium value of the control input u∗ is known: . Despite the error on k (T ). It can be clearly seen on Figure 5 that there exist two convergence points. This is conﬁrmed by the level curves of the function Pd (x) in Figure 6 where two local minima can be distinguished.4 Robustness analysis 100 The control law given in (14) requires the complete state feedback. The controller is designed using the function kˆ (T ) instead of the real kinetic coeﬃcient k (T ): kˆ (T ) = (1 + ξ (T )) k (T ) (17) with ξ (T ) > −1. In this section we shall analyze the eﬀect on the closed-loop convergence and stability of modeling errors in the kinetic coeﬃcient k (T ). the equilibrium value of nA is known: in in V V CA CA ∗ n∗A = neq (T ) = δ = δ A ˆ δ + k (T ) δ + k (T ) Assumption 2. 5. Level curves of Pd (x) (local convergence) both cases in Figures 6 and 8. 4. Reference tracking Fig. Level curves of Pd (x) (global convergence) 5. the kinetic coeﬃcient is determined experimentally and the on-line measurement of the concentration is not always achievable. Temperature evolution for diﬀerent initial conditions (local convergence) Fig. 8. respectively. Despite the error on k (T ). depending on the initial condition. Assumption 1. T ∗ ). 7. Moreover it also requires the knowledge of the temperature dependence of the kinetic coeﬃcient k (T ) that appears in the expression of WT ∗ (T ). The aim is to stabilize the state (n∗A .

then the closedloop equilibrium can become unstable. this means that if ξ ∗ > 0 and dT ∗ ≥ 0. It is therefore of major interest to see if this approach can be extended to more complex systems. the general form of the dynamics of a non-isothermal CSTR can be deduced from (8). 400 390 0 5 10 15 Time [s] 20 25 30 Fig. From all the chemical species in the mixture. Under these assumptions. As a consequence the trace and the determinant of Λ(cl) can be rewritten as follows: The power-shaping approach has given interesting results on the simpliﬁed CSTR case study. But if these two conditions are not fulﬁlled. if the function w (y) has been taken suﬃciently large such that: dk ∗ ∗ (δ + k ) w ˆ (T ) − nA >0 dT ∗ T ∗ tr Λ = Ψ − δ − μw ˆ (T ) dk ∗ ∗ ∗ ˆ (T ) − nA det Λ = −δΨ + μ (δ + k ) w dT T ∗ then det Λ(cl) is increasing with μ such that there is a lower bound on μ that ensures the local asymptotic convergence (see Figure 9). Let us now consider a CSTR with Nr independent reactions. Nevertheless. Using the inequalities of Assumption dξ 3. it is only necessary to consider those that intervene in the .u∗c = −δ (Tin − T ∗ ) − γk (T ∗ ) n∗A = −δ (Tin − T ∗ ) − γ kˆ (T ∗ ) n∗ 460 A 450 From (14). Assumptions 1 and 2 imply that (n∗A . T ∗ ) is still an equilibrium of the closedloop system. but we consider more complex kinetics. As a consequence we have: ˆ < 0 and det Λ ˆ >0 tr Λ The actual matrix of the linearized system around (n∗A . Inﬂuence of the modelling error on k (T ) for diﬀerent values of μ ˆ ∗ − δ − μw ˆ (T ∗ ) (1 + ξ ∗ ) tr Λ = Ψ ! " ˆ (cl) <0 tr Λ dξ ∗ ∗ ∗ ∗ ∗ γk n + 2ξ δ + μξ w ˆ (T ) A dT T ∗ By applying the same development on the determinant. 9. We keep the same assumptions as before. T ∗ ) is written as follows: ⎞ ⎛ ∗ ∗ dk − (δ + k ) −n A ⎟ ⎜ dT ⎟ T∗ Λ=⎜ ⎠ ⎝ dk γk ∗ − μ −δ + γn∗A − μ w ˆ (T ) dT T ∗ The trace and the determinant of Λ are given by the following relations: ∗ with 420 410 + u∗c (Tw − T ∗ ) w ˆ (τ ) dτ T∗ reference 430 increasing μ T 440 Temperature [K] Assumption 3. we can deﬁne the following quantity Ψ analogy with (18): ˆ ∗ = γn∗A Ψ ∗ dkˆ dT − kˆ∗ + δ T∗ ∗ = Ψ (1 + ξ ) + γn∗A k ∗ dξ + δξ ∗ dT T ∗ where ξ ∗ = ξ (T ∗ ). dk ∗ ∗ Ψ = − (k + δ) + γn∗ dT T ∗ A 6. and more particularly to systems with more than one reacting chemical species and/or with multiple reactions. Assumption 3 implies that the function w (y) and the parameter μ have been chosen such that the following matrix is negative deﬁnite: ⎛ ⎞ ˆ d k ∗ ∗ −nA ⎜ − δ + kˆ ⎟ dT ∗ ⎜ ⎟ ˆ =⎜ ⎟ T Λ ⎜ ⎟ ˆ ⎝ ⎠ ∗ ∗ dk ˆ γ k − μ −δ + γnA ˆ (T ) − μw dT ∗ T ˆ is the matrix of the linearized system around the desired Λ equilibrium state if the kinetics was indeed equal to kˆ (T ). for the sake of clarity: w ˆ (T ) = w kˆ (T ) . The control input has been designed such that. the desired equilibrium is asymptotically stable. based on the estimated value of the kinetic coeﬃcient. the following expression is obtained: ˆ + ξ ∗ δ (δ + μw (1 + ξ ∗ ) det Λ = det Λ ˆ (T ∗ )) ∗ ∗ dξ + nA k (γδ + μ) dT − T∗ The closed-loop equilibrium is asymptotically stable if and only if the trace is strictly negative and the determinant is strictly positive. the T closed-loop equilibrium is asymptotically stable. EXTENSION TO MORE COMPLEX SYSTEMS (18) ˆ ∗ by Using (17). the control input applied to the system is given by the following expression: uc (Tw − T ) = μ n∗A − nA − where we have introduced the following notation.

6. another solution for the matrix Q (x) has been found. We shall now apply the same approach as in Section 4. Some results about the local and global convergence of the controller have also been shown. This does not mean that the dynamics cannot be put into the Brayton-Moser form. given a matrix Q (x) that fulﬁlls (4). A general description of the power-shaping control approach of the CSTR has been given in this paper. (1992)): dx (20) = δ xin − x + Γr (x) dt t where x = [nA . This particular solution has a very similar form of that of the matrix proposed for the case with one reaction. The temperature dynamical equation becomes as follows: Nr # in dT γl rl (T. .1 Parallel reactions and reactions with two reactants In this case a solution has been found. we shall ﬁrst look for a matrix Q (x) that fulﬁlls the conditions (2) and (4). We shall now look at some particular cases of more complex reactions to get a ﬁrst intuition of the existence of non-singular and negative semi-deﬁnite solutions of the algebraic form of (21). . we have the following relations (i. j = 1. but the obtained matrix has not a negative semi-deﬁnite symmetric part.e. . then the partial diﬀerential equation (21) has to be solved. j = 1. T ) = kl (T ) l=1 (−Δ H) where γl = ρcprV l and (−Δr H)l is the reaction heat of the reaction l. . other solutions to (4) can be built departing from the ﬁrst one. n) =δ T −T + dt solution (if it exists) have already been derived in Favache and Dochain (2008). condition (4) can be rewritten as follows: $ % Nr N# c +1 # ∂rl qik Γkl − δqij + ∂xj k=1 + N# c +1 k=1 ∂qik ∂xj = −δqji + l=1 in δ xk − xk + Γkl rl (x) N# c +1 $ qjk Nr # ∂rl Γkl ∂xi % (21) i∈Θl where Θl is the set of reactants of reaction l and ζil is some positive constant. Despite of this. i. The detailed solution for the three particular cases (namely parallel reactions. T ] . nNc . The time evolution equations of nA and T have a similar form and the dynamics of the system can be written as follows (see Dochain et al. 7. n) (19) = δ Ci V − ni + dt l=1 where Γil is the stoichiometric coeﬃcient of species i in the reaction l. CONCLUSION In the simpliﬁed CSTR case. . . . . . As shown in Garcia-Canseco et al. i. Γ ∈ RNc +1 ×RNr is a matrix that contains the stoichiometric coeﬃcient of species i in the reaction l in position (i.2 Consecutive reactions In this case the algebraic form of (21) has no nonsingular solution. The same can be done in the more complex case by adequately restricting the set of possible solutions. In the particular case of parallel reactions with ﬁrst order kinetics. . This solution does not exist for higher order kinetics. . This seems to indicate that the matrix Q (nA . Remark 4. This Lyapunov function could then be used to design a controller for stabilizing the reactor at a desired temperature. A general solution of the algebraic form of (21) has not been found yet. Nc + 1): N# c +1 qik δ xin (Q (x) f (x))i = k − xk + Γkl rl (x) k=1 and thus: (∇ (Q (x) f (x)))ij = −δqij + N# c +1 $ qik k=1 + N# c +1 k=1 Nr # l=1 ∂rl Γkl ∂xj % ∂qik in δ xk − xk + Γkl rl (x) ∂xj Consequently. Let Nc be the number of chemical species which intervene in the expression of the reaction kinetics. 6. .e. . Nc + 1. Contrary to previous works and approaches. By using (20). Nc ): Nr # in dni Γil rl (T. some characteristics of the The Lyapunov function that was found is the potential function of the Brayton-Moser formulation of the CSTR k=1 + N# c +1 k=1 l=1 ∂qjk in δ xk − xk + Γkl rl (x) ∂xi for all i. T ) that has been used in Section 4 is a particular solution of (9) that exists only in the case of ﬁrst-order kinetics. (2008). In the three cases it has been assumed that the kinetic functions can be expressed as powers of the concentration of the reactants. . . a global Lyapunov function for the exothermic CSTR has been found using the power-shaping approach. A detailed mathematical analysis is provided in Favache and Dochain (2008). we have ﬁrst restricted the set of possible matrices Q(x) to ﬁnd a solution for (4) by transforming the partial diﬀerential equation into an algebraic one which is simpler to solve. Applying this methodology on the matrices that have been found could lead to another matrix Q (x) that would be negative-deﬁnite and hence give a Lyapunov function for the open-loop system.: & ζ (ni ) il rl (n. . For each species i the time evolution is given by the following diﬀerential equation (with i = 1. Thus the corresponding potential function cannot be used as a Lyapunov function for the open-loop system because they are not decreasing along the system trajectories. l) if 1 ≤ i ≤ Nc and that contains γl in the lth column if i = Nc + 1.kinetics of the reactions. reactions with two reactants and consecutive reactions) is given in Favache and Dochain (2008). But if the Brayton-Moser form exists. . The main results that were obtained by this approach have been presented and illustrated by some simulation results. .

R. D. E. (2007). 44th IEEE Conference on Decision and Control and European Control Conference. Also in this study we have only considered a particular form of the kinetics. thesis. On mechanical mixed potential. even for simple cases such as two parallel reactions or two consecutive reactions with mass action law kinetics. The controller obtained by the power-shaping control approach depends on the on-line measurements of the concentration and of the knowledge on the reaction kinetics. Journal on Control and Optimization. and Amundson. Process systems and inventory control. (2006). J.M.. J. M. On representations and integrability of mathematical structures in energy-conserving physical systems. J. Farschman. and Ydstie. Belgium. 22. and also on the action of the controller. From irreversible thermodynamics to a robust control theory for distributed process systems. 1643–1646. Favache. and Banga. Brayton..A.. (2004). and Moser. with perfect or imperfect control mechanisms. Maschke. But the Brayton-Moser form of the dynamics (if it exists) actually needs the solution of the partial diﬀerential equation.M. (2005). R. 81– 104. J. and Dochain. A theory of nonlinear networks II. B.. 73–78. 37(1).A. A. Port contact systems for irreversible thermodynamical systems. Favache. D. 17th International Symposium on Mathematical Theory of Networks and systems.. Kos (Greece). and van der Schaft. A theory of nonlinear networks I. Automatica. Dochain. Finally we studied the possibility of extending the previous work to more complex systems. B. J. J. 44(8). AICHE Journal. Journal of Process Control. Asymptotic observers for stirred tank reactors. B. and not of its simpliﬁed version which is the algebraic equation. Power-based control of physical systems: two case studies.. Jeltsema. Kyoto (Japan). Control. This is only a restricted class of the possible kinetic laws.. namely we have assumed that the kinetics can be written as a product of powers of the concentration (i. 12. ACKNOWLEDGEMENTS This paper presents research results of the Belgian Network DYSCO (Dynamical Systems. Contact structures: application to interconnected thermodynamical systems. (2008) oﬀers the possibility of ﬁnding an alternative negative semi-deﬁnite matrix without having to solve the partial diﬀerential equation. A. and Scherpen. J. Scherpen. (1964a). An analysis of chemical reactor stability and control–I : The possibility of local control. and Ortega. content and co-content. (2008).E... Journal of Process Control. The study presented here is only embryonic since it does not imply that the power-shaping control approach cannot been applied. (1998). Extension des syst`emes hamiltoniens ports aux syst`emes irr´eversibles: une approche par la g´eom´etrie de contact. In Proc. Otero-Muras. a more general form of the mass action law) and a kinetic term. 40(9).. Jeltsema... A power-based description of standard mechanical systems. D.R. (2007). 19(3). Viswanath. Scherpen. Favache. Nevertheless in the cases where an indeﬁnite matrix has been found. Brayton. Quaterly of applied mathematics. But a robustness study on the inﬂuence of the concentration measurement errors should also be of great interest before applying it to a real reactor. Eberard. (2007). 56(5). B. Eberard. Banga. Maschke. (2003). This interpretation should give more physical insight on the reasons of the existence of multiple open loop equilibria. D. 1–33. A. Jeltsema. In Proc.. (2008). European Control Conference 2007..P. in the simple CSTR case with a single ﬁrst-order kinetics reaction. 349–356.. Indeed. and van der Schaft. Systems & Control Letters. Although the potential function has a physical meaning for the Brayton-Moser formulation of electrical or mechanical systems. Science Policy Oﬃce. a precise physical interpretation of the potential function of the CSTR has still to be found. (1992). 1841–1857. D. D. I. In Proc. and Dochain. 47. and more precisely to CSTRs with multiple reactions and/or multiple reactants. Perrier. and van der Schaft. REFERENCES Alonso. (2006). Antelo. the control action is robust with respect to modeling errors on the kinetics. K. Ortega. 17th IFAC World Congress. The scientiﬁc responsibility rests with its authors. 7(3). (2009). A. . Ph. M. Stability analysis of a CSTR via power-shaping control. N. Aris. D. Dalsmo.. R. 507–517. reaction with two reactants). and Dochain. the work presented in Garcia-Canseco et al.A. D. 121–131. European Control Conference. B. funded by the Interuniversity Attraction Poles Programme.. Computers & Chemical Engineering.e.. that if the parameters of the controller are adequately chosen. Quaterly of applied mathematics. Chemical Engineering Science. The extension seems to be rather complex. D. J. 54–91. Ydstie. Maschke.dynamics. and Moser. CESAME. An energy-balancing perspective of interconnection and damping assignment control of nonlinear systems. Lyon 1. and Optimization). (1964b). D. A. R.D. for instance. Eberard. and Ydstie. D. (1958).T. Sevilla (Spain). Both quantities are usually not exactly known. 4167–4178. 31(5-6). C. A. Garcia-Canseco. Indeed it could also be interesting to apply the power-shaping control to other forms of kinetics such as the Monod kinetics (biological systems) or the MichaelisMenten kinetics (enzymatic reactions). For the three considered particular cases the corresponding algebraic equation system has either no nonsingular solution (consecutive reactions) or an indeﬁnite solution (parallel reactions. Technical report. (1998). Thermodynamics and chemical systems stability: The CSTR case study revisited. Jeltsema. A. (2002). and Alonso. R. 371–379. 22.. Universit´e catholique de Louvain. initiated by the Belgian State. Universit´e Claude Bernard. and Scherpen. B. 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