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WeC08.2

**Dynamics and Control of Reactor - Feed Efﬂuent Heat Exchanger Networks
**

Sujit S. Jogwar∗ , Michael Baldea† and Prodromos Daoutidis∗

∗ Department

of Chemical Engineering and Materials Science University of Minnesota, Minneapolis, MN, USA † Praxair, Inc., 175 East Park Drive, Tonawanda, NY, USA

Abstract— In this paper, we analyze the energy dynamics of process networks comprising of a chemical reactor and a feed efﬂuent heat exchanger (FEHE). Using singular perturbation analysis, we show that, in the case of tight energy integration, the energy dynamics of the network evolves over two time scales, with the enthalpy of individual units evolving in the fast time scale and the overall network enthalpy evolving in the slow time scale. We describe a model reduction procedure to derive the non-stiff slow model which can be used for controller design. The theoretical results are illustrated via a simulation case study.

Fig. 1.

A heat integrated process with a FEHE (T: Temperature)

I. INTRODUCTION Feed Efﬂuent Heat Exchangers (FEHEs) are key components in the design of heat integrated processes (e.g., [1]). A FEHE transfers the heat available with the hot efﬂuent stream from a chemical reactor to the cold reactor inlet stream, thus leading to a positive feedback of energy. Because of this positive feedback of energy, there is a potential for open-loop instability ([2], [3], [4], [5], [6], [7]) and complex dynamics [8], which in turn demands that an appropriate control system be implemented. A generic set up for the energy integration system with a FEHE is shown in Fig. 1. The typical control objectives in such networks are controlling the outlet stream composition (a product quality speciﬁcation), the ﬁnal efﬂuent temperature (a separation system speciﬁcation) and the holdup of the network. Several papers ([3], [9], [10]) have focused on this control problem within a multi-loop linear control framework. In this paper, we develop a generic dynamic analysis of reactor-FEHE networks documenting that in the case of tight energy integration, the energy dynamics of such networks exhibits a two-time scale behavior. We present a model reduction procedure based on singular perturbations to derive non-stiff models in each time scale. We then propose a controller design framework that alleviates the issues typically associated with controllers synthesized based on stiff process models. Finally, the theoretical concepts developed are illustrated via a case study. II. M ODELING AND M ODEL R EDUCTION OF FEHE- INTEGRATED PROCESSES Let us consider a more detailed alternative representation of the network in Fig. 1, shown in Fig. 2, whereby the cold and hot passes of the FEHE (of duty htr ) are represented separately. To improve dynamic operability and allow for startup strategies, a reactor-FEHE network is usually accompanied

Fig. 2.

Abstract representation of the network

by a furnace and/or cooler and a bypass stream. In Fig. 2, the process block contains the reactor and the furnace and/or cooler. Let hin , hc , hc and hout be the enthalpy ﬂowrates associated respectively with the inlet, cold leg output, process output and network output streams, and Hc , Hh and Hr the enthalpies of the cold and hot leg of the FEHE, and the enthalpy of the process, respectively. Let q denote the rate of energy generation/consumption for the process (e.g., through the heat of reaction or the furnace/cooler duty). With the above notation, the energy balance for the units of the network in Fig. 2 takes the form: ˙ Hc ˙ Hr ˙h H = hin − hc + htr = hc − hr + q = hr − htr − hout (1)

We speciﬁcally consider the case of an adiabatically operated reactor with moderately exothermic/endothermic reactions (in the case of highly exothermic/endothermic reactions, the adiabatic operation is impractical). The FEHE is designed (e.g., by providing a large heat transfer area) to facilitate large recovery and recycle of energy, leading to tight energy integration. In this case, the energy recycle is large compared to the energy input through the feed

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wherein the entire energy dynamics of the network evolve in the fast time-scale [11]. under the constraints (5). and in which case the energy input associated with q may be very large.e. however.s and ut = htr /htr. in which the model of the network becomes: dHc = εhin + hin.s /htr. hc. (7) is one-dimensional as stated above.s z2 − hout (6) 0 = −kc uc + ut 0 = kr ur − ut The constraints of Eq. a furnace. easy to observe that the overall energy balance for the network ˙ Htotal = hin − hout + q (7) with Htotal = Hc +Hr +Hh is devoid of any large terms. (1) then becomes: 1 ˙ Hc = hin + hin. Remark II. C ASE S TUDY We now consider the speciﬁc prototype network shown in Fig. We assume that m reactions involving n species are being carried out in the CSTR. The energy input term q is also of comparable magnitude to the energy input of the feed stream (qs /hin.s (z1 + z2 ) + q = hin. ur and ut are speciﬁed via appropriate energy transfer and energy ﬂow correlations in terms of temperature gradients.. more importantly. Remark II. ur = hr /hr. (6) can be differentiated and an ODE representation (state space realization) of the DAE system (6) can be obtained once the enthalpy ﬂowrates uc . and a FEHE with a bypass on the hot stream. corresponding to an inﬁnitely high energy recycle. −(z1 +z2 ) = limε→0 (kc uc −kr ur )/ε 1482 . Notice that only two of the constraints in (5) are independent. This is contrary to the case of reactor . “stretched” time scale τ = t/ε. The internal and external energy ﬂows will be of similar magnitude to those of the energy recycle and the energy input respectively (i.s (kr ur − ut ) (4) dτ In order to focus on the slow dynamics of the network. In order to delineate this slow component.s /htr.s (kc uc − kr ur ) + q H ε 1 ˙ hin. let us consider the same limit case in the original time scale t. and that Htotal therefore only evolves over a slow time horizon. heat transfer parameters. III.s (−kc uc + ut ) dτ dHr = hin. we obtain an expression of the slow energy dynamics of the network in the form of a differential-algebraic equation system: ˙ Hc ˙ Hr ˙ Hh = hin + hin.s and scaled enthalpy ﬂows uc = hc /hc. ﬁnite). Note that the order of this state space realization would be at most one.s z1 = −hin.s = O(1)) which follows from the moderate heat effects due to reactions and the large recycled energy leading to small furnace/cooler duties. which represent a set of quasi-steady state conditions for the fast dynamics (4). we obtain the following description of the fast dynamics of the network: dHc = hin.s = O(1). We can now deﬁne the O(1) steady state ratios kc = hc. obtaining: 0 = −kc uc + ut 0 = kc uc − kr ur 0 = kr ur − ut (5) and z2 = limε→0 (kr ur − ut )/ε become indeterminate (remaining.s = O(1)).external heat exchanger network with a large energy throughput. In this case.s /htr.s (−kc uc + ut ) dτ dHr = hin. It is however. The model in Eq. In what follows. Remark II.s (kc uc − kr ur ) + εq dτ dHh = hin. wherein for the case with large material recycle.1 The arguments about the magnitude of the energy ﬂow q that were used in the derivations above imply that q is small at steady state.(hin. we consider the limiting case ε → 0 in the original time scale t.s (−kc uc + ut ) ε ˙ r = 1 hin. when a signiﬁcant amount of energy needs to be accumulated in the process.s (kc uc − kr ur ) dτ dHh = hin. etc. the dynamics of the individual units evolve in the fast time scale and the dynamics of the overall network evolve in a slow time scale. optimization of the energy utilization at the level of the entire network should be undertaken using the small energy ﬂows of the network as manipulated inputs.s (kr ur − ut ) − εhout (3) dτ In the limiting case ε → 0. This is not necessarily true during process startup.s /htr. the above model is in a singularly perturbed form. Note also that the description in Eq.s /hin. With the above considerations. having the potential to exhibit a dynamic behavior with two time scales.s . while the control and.2 The above analysis indicates that the control objectives related to the energy balance of the individual units of the network should be addressed using the large internal enthalpy ﬂows. we aim to elucidate this behavior and start by deﬁning the fast.s (kr ur − ut ) − hout (2) Hh = ε Owing to the presence of the small parameter ε. indicating the possibility of a slow component being present in the dynamic behavior of the network. hout.s .3 We can note an analogy of this analysis with the case of material recycle [12]. the terms z1 = limε→0 (−kc uc +ut )/ε. It consists of a CSTR. 3.s and kr = hr. Htotal would therefore be an appropriate variable choice to describe the slow dynamics of the network.s = ε << 1 where the subscript s denotes the steady state values).

we can address the control of Texit in the fast time scale using α as the manipulated input to reject the disturbances affecting the FEHE dynamics (e. Considering the dynamics in Eq. These enthalpies correspond to the temperatures of the cold and hot leg of the FEHE and the reactor respectively. So.s TH − TC = −vH − ∂z ε VH ∂TC kFin. The dynamic model of the network then takes the form: dV /dt dC/dt = Fin − F = Fin (C o − C)/V − Sr where Qgen is the heat generation term for the reactions. For simplicity.s TH − TC (10) = vC + ∂z ε VC = dTR /dt = Fin (Ti − TR )/V − ∆H T r/ρcp ∂TH /∂t = −vH ∂TH /∂z − (U A/ρcp ) (TH − TC ) /VH ∂TC /∂t = vC ∂TC /∂z + (U A/ρcp ) (TH − TC ) /VC (8) dTi /dt with. 3. ∆H = ∆H1 ∆H2 . hin represents the enthalpy ﬂowrate of the inlet stream at temperature Tin and hout represents the enthalpy ﬂowrate of the outlet stream at temperature Texit . The reactor input is further heated to the required temperature in the furnace. we obtain the quasi steady state constraints: 1 Here the bypass ratio α is assumed to be small. Speciﬁcally. L is the length of the exchanger.z=0 − Tref )] / [Fin ρcp (TC.z=0 − Tref )]s / [Fin ρcp (TC. no heat loses and constant holdups for the FEHE. ∆Hm represents the vector of heats of reactions. Fin is the volumetric ﬂow rate of the input stream to the network and F is the reactor outlet ﬂow rate.z=0 − Tin )]s . and α is a bypass ratio deﬁned as: ﬂow rate of the bypass stream α = ﬂow rate of the original stream (F ) Comparing this network with the one in Fig. we assume constant heat capacities and densities. r = T r1 r2 .z=0 − Tin )]s where Tref is the reference temperature. 1483 . the FEHE must provide a sufﬁciently large heat transfer area. .2 regarding manipulating the large internal ﬂows to address the unit level control objectives. Texit = αTR + (1 − α)TH(z=L) THz=0 = TR TCz=L = Tin where vH and vC are the velocities of the ﬂuid in the hot and cold compartments of FEHE. Ti and TR are the reactor inlet and outlet temperatures and Texit is the network exit temperature. the enthalpies Hc . = Fin (TC(z=0) − Ti )/Vf + QH /ρcp Vf Lets now apply the results derived in section II to the model (10). The network exit temperature Texit is related to the temperature of the hot leg FEHE and the reactor temperature by α1 .av − TC. As shown in section II. the FEHE hot and cold streams and the furnace respectively. no phase change in the FEHE. from the energy balance on the cold stream of the FEHE.av )]s = [Fin ρcp (TC. . Tin is the cold leg inlet temperature to the FEHE. TH and TC are the hot and cold leg temperatures for the FEHE. rm represents the vector of reaction rates n×m represents the matrix of stoichiometric coefﬁand S T cients. Hh and Hr have a component in the fast time scale. 2.z=0 − Tref )]s and uf = [Fin ρcp (Ti − Tref )] / [Fin ρcp (Ti − Tref )]s . kc = [Fin ρcp (TC.av are the average temperatures for the hot and the cold leg of the FEHE).z=0 − Tin )]s .s ρcp = k(O(1))/ε (TH.e. at steady state.. we have [U A(TH. Tin ). (8) thus become: dTR dt dTi dt ∂TH ∂t ∂TC ∂t [Fin (Tin − Tref )]s kf uf − kr ur ∆H T r − V ε ρcp [Fin (Tin − Tref )]s kc uc − kf uf QH + = Vf ε ρcp Vf ∂TH kFin. VH . In order to facilitate such a large recovery of heat. ur = [Fin ρcp (TR − Tref )] / [Fin ρcp (TR − Tref )]s . This is consistent with the observation in remark II. . . we see that the process block consists of the furnace and the CSTR.z=0 − Tin )]s which leads to U A/Fin. z is the spatial coordinate. (10) in the original time scale and taking the limit ǫ → 0.The energy generation/consumption term q is: q = QH ± Qgen (9) Fig. VC and Vf are the holdups of the reactor. furnace and a CSTR The hot outlet stream of the reactor is used to partially preheat the cold feed in the FEHE. kf = [Fin ρcp (Ti − Tref )]s / [Fin ρcp (TC. QH is the furnace heat duty. We deﬁne the O(1) ratios kr = [Fin ρcp (TR − Tref )]s / [Fin ρcp (TC. FEHE. which is consistent with the assumption of a high rate of energy recovery and recycle.g. uc = [Fin ρcp (TC. We consider the case wherein most of the energy carried by the hot stream is transfered to the cold stream and thus a large amount of energy is recycled into the network via the FEHE.z=0 − Tin )]s .av and TC. We deﬁne ε as the ratio of the energy input through the cold feed to the energy increase of this stream due to the heat transfered from the hot stream i. The energy dynamics equations in Eq. C represents the vector of concentrations of all species and C o represents the vector of initial concentrations.. ε = [Fin ρcp (Tin − Tref )]s / [Fin ρcp (TC. V .

β1. we control TR (y1 ) instead of cA . Htotal ) = −∆H r(C.e.09 m3 0. Fig. We will illustrate these concepts through a simulation example.0471 Parameter ko E ∆H UA ρcp Fin F V VH VC Vf Value 1. in this case.79 mol/m3 922.s (TH − TC )/VH 0 = kFin. The evolution of the total enthalpy of the network for the same perturbed system.TABLE 1 N OMINAL VALUES OF PROCESS PARAMETERS Parameter cAo Tin cA TR Texit Ti TC. using [13].01 m3 Fig.828 KJ/mol 83680 W/K 4. is equivalent to the control of reactor temperature and so..2667 ×107 s−1 142870 J/mol -54. The quasi steady state constraints are differentiated to get ODE description of the slow dynamics.sp − Texit )dτ τI 0 The dynamics of the network in the slow time scale is then given by: dV /dt dC/dt dHtotal /dt = Fin − F = Fin (C o − C)/V − Sr(C.1 (dV /dt) + β2. the network exit temperature i. 4. (8).e.48 K 8. The nominal values of the state variables and the process parameters are given in Table 1 The dynamics of this network will be in the form of Eq. From Eq.1 m3 0.e. Control of concentration. cA .e. So. We have to control cA and V (y2 ).. Texit and the network holdup.1.z=0 QH α L ε Value 1000 mol/m3 300 K 54.sp − Texit ) + (Texit. we require ODE description of the model (12). (13). 4 shows the various energy ﬂows in the network at the steady state.86 K 910 K 873. We now deﬁne the total network enthalpy as: Htotal = ρcp (VH TH + VC TC + Vf Ti + V TR ) (11) 5 shows the evolution of hot and cold leg exit temperatures of the FEHE.1 (dTR /dt) + β1. dV dt dcA dt dTR dt z1 z2 z3 = Fin − F = Fin (cAo − cA ) − ko e(E/RTR ) cA V QH ρcp Vf = z1 − (∆H/ρcp ) ko e(E/RTR ) cA = z2 + (∆H/ρcp ) ko eE/RTR ) cA + = − = 0 k QH (V z1 + Vf z2 ) − VC ρcp Vf (13) The available manipulated inputs are QH (u1 ) and F (u2 ). conﬁrms its evolution in the slow time scale. S IMULATION R ESULTS We consider a case where a ﬁrst order irreversible exothermic reaction A → B is carried out in the CSTR shown in Fig. The plots show a two time scale behavior with a fast transient behavior followed by a slow dynamics..0 V = v2 (14) 1484 . we design an input/output linearizing controller to induce ﬁrst order responses in TR and V . the relative degree vector for this system is r1 r2 = 1 1 . Steady state energy ﬂows 0 = kf uf − kr ur i .184×106 J/m3 /K 5. We address the control of Texit in the fast time scale using a simple PI control law with αo = 0. Fig. » – Z t 1 α = αo + Kc (Texit. Kc = 0.. With the slow energy dynamics expressed in terms of TR (rather than the overall network enthalpy) the “algebraic” variables are: 3 2 3 2 [Fin /V (Tin − Tref )]s limε→0 (kf uf − kr ur )/ε z1 z = 4z2 5 = 4[Fin /Vf (Tin − Tref )]s limε→0 (kc uc − kf uf )/ε5 kFin /VH limε→0 (TH − TC )/ε z3 (12) 0 = TH − TC 0 = TC |z=0 − Ti 0 = Ti − TR Note that the energy dynamics in the slow time scale is one dimensional as predicted in section II. described by (13).s (TH − TC )/VC The last two constraints are not linearly independent and lead to TH (z. The control objectives are to control the outlet concentration of the reactor i.1 1m 0. Htotal ) + QH T We next proceed to the control objectives in the slow time scale. We see that the internal energy ﬂows have higher order of magnitude as compared to the external energy ﬂows. IV. t) which is a thermal equilibrium condition. The partial differential equations were discretized by a ﬁnite difference approximation (taking 100 equidistant nodes) and the resulting ODE system was solved using MATLAB’s ODE solver for stiff differential equations.7667×10−4 m3 /s 0. TC |z=0 = Ti 0 = −kFin.1 m3 0.82×104 W 0.7667×10−4 m3 /s 5. for a 1% perturbation from the steady state.0 TR = v1 β2. t) = TC (z.0018K −1 and τI = 10s. To derive the controllers.39 K 364. 3. The reactant A is fed to the network at concentration cAo and at temperature Tin . Ti = TR 0 = kc uc − kf uf i .

references should be commonly available publications. Res. 1077-1082. 1998.2 =0. Reyes and W. Baldea and P.. the Texit is controlled in the fast time scale while TR is controlled over a slower time horizon. “Stability and multiplicity approach to the design of heat integrated pfr”. Chem.C. References are important to the reader. London. We consider that there is +10% error in ∆H. KC. and P.7 5. Results We ﬁrst test the performance of this controller in the presence of disturbances and modeling errors. Daoutidis. 2791-2808. Proc. pp. indicating that the controller is well conditioned. vol. Eng.S. vol. Luyben. 1995. 241-251.001. Eng. [12] A. 44. therefore. [10] Y.1 = 10s..L. vol. Eng. We demonstrated the derived results through a simulation case study. We see that the proposed controller gives good performance in rejecting the disturbance even in the presence of large modeling errors. The controllers derived on the basis of the reduced order models are well conditioned and show good output tracking performance. Eng. Comput.. The corresponding results are shown in Fig. β1. Luyben. “Unusual dyanmics of a reactor/preheater process with deadtime. pp 27032712.out 319 318. Evolution of FEHE exit temperatures and the network enthalpy for the perturbed system with. 1988. pp. [9] W. 41-48. inverse response and openloop instability”. “Nonlinear dynamics and control of process systems with recycle”. The corresponding response in the presence of unmeasured disturbances is shown in Fig. We showed that the dynamics of this network possesses stiffness and shows a two time scale behavior.0 =0. pp. 3.H. vol. Kumar and P. Iedema. Bildea. vol. 3623-3633. J. 42. In the next simulation run. vol.1 =950s. and we identiﬁed the control objectives and the handles (manipulated inputs) available in each time scale.5 the controllers operate i. If at all possible.0 =0. 25. Springer.5 318 317.695 5. Douglas. “Effect of design and kinetic parameters on the control of cooled tubular reactor systems”. Using singular perturbation analysis. [3] Y.H.. 12. 265-274. 7.685 5.008. Chem. [8] C. Chen and C. “Dynamic behavior of integrated plants”. T (b) Cold leg of FEHE 5. pp. 2000.675 0 50 100 150 t (min) (c) Total enthalpy Fig. Contr. 2006. Yu.69 5.D.5 317 T t (min) (a) Hot leg of FEHE 905 904 903 C. Skogested. vol. Chem. 2003.L. pp.5 320 319.1 =0.C.. Res. Nonlinear Control Systems.out (K) 902 901 900 899 898 897 0 50 100 150 t (min) In this paper.e.71 5. 16. KC.C. Dimian. J. [13] A. A.Ind. [4] J. Morud and S. τI. [5] F. Proc.. Ind.. Contr. Eng. R EFERENCES [1] J.705 x 10 8 total (J) H 5. C ONCLUSIONS 0 50 100 150 (K) H. 1996.C. Chen and C. “Model reduction and control of reactorheat exchanger networks”. Tyreus and W. vol. McgrawHill. Yu. Eng. 39.01 and τI. J.2 =1100s. pp. Contr. Isidori. Daoutidis. we used external PI controllers with.. Contr.C. J.68 5. “Interaction between thermal efﬁciency and dynamic controllability for heat integrated reactors” Comput. vol. β1.320. “Design and control of heat integrated reactors”.715 5. AIChE J. 3335-3346. We also note the time scales on which 1485 . we analyzed networks of reactor and FEHE with tight energy integration. 6.L. Luyben.L.. 6.. 475484. 37. pp. Bildea and A.. “Multiplicity and stability approach to the design of heat integrated multibed plug ﬂow reactor”. each citation must be complete and correct. in the presence of unmeasured disturbance. 1993. 1988. Ind. pp. [11] M. 2002. Proc.. [7] B. we derived the reduced order models for the network in each time scale. V. Conceptual Design of Chemical Processes. Chem. Dimian. Ind. 2001. 2001.40.002.24. the output tracking performance of the controller is studied for +5% change in the set point of TR . pp. 2713-2720. 2000. Luyben.1 = 20s and β2. Chem. Proc. vol.M. pp. To get an offset free response. [2] C. Res. A. vol. [6] W. Res. 5.S. 145. Chem. “External versus internal open loop unstable processes”. “Steady-state and dynamic effects of design alternatives in heat-exchanger/furnace/reactor processes”. We see that the controller derived based on the reduced order model shows excellent performance in tracking the desired trajectory. β2.D.

115 α 0.125 0.set T T R R. 6.12 0.1 0.05 1 0.125 (c) Network exit temperature 0.9 0.5 363.13 0.11 0.85 0 50 100 150 200 250 300 0 50 100 150 200 250 t (min) t (min) (b) Furnace duty 365 365 (b) Furnace duty 364.15 1.5 363 363 362. 7.2 1.5 364.set 970 960 TR (K) 915 910 905 900 895 TR (K) 950 940 930 0 50 100 150 200 250 300 920 0 50 100 150 200 250 t (min) t (min) (a) Reactor temperature 1.115 α 0.105 0. Closed loop response in the presence of +10% modeling error in ∆H and unmeasured disturbances (d) Bypass ratio Fig.12 0.1 x 10 5 (a) Reactor temperature 1.1 0 50 100 150 200 250 300 0 50 100 150 200 250 t (min) t (min) (d) Bypass ratio Fig.5 362.05 1 0.11 0.105 0.15 1.95 0.930 925 920 T T 980 R R.2 1. in the presence of +10% modeling error in ∆H and unmeasured disturbances 1486 .95 0.85 1.set .1 x 10 5 QH (W) QH (W) 1.5 364 364 Texit (K) Texit (K) 363. Closed loop response for +5% change in TR.5 362 0 50 100 150 200 250 300 362 0 50 100 150 200 250 t (min) t (min) (c) Network exit temperature 0.9 0.

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