Integrated Scheduling and Dynamic Optimization of Sequential Batch Processes with Online Implementation

An efficient decomposition method to solve the integrated problem of scheduling and dynamic optimization for sequential batch processes is proposed. The integrated problem is formulated as a mixed‐integer dynamic optimization problem or a large‐scale mixed‐integer nonlinear programming (MINLP) problem by discretizing the dynamic models. To reduce the computational complexity, we first decompose all dynamic models from the integrated problem, which is then approximated by a scheduling problem based on the flexible recipe. The recipe candidates are expressed by Pareto frontiers, which are determined offline by using multiobjective dynamic optimization to minimize the processing cost and processing time. The operational recipe is then optimized simultaneously with the scheduling decisions online. Because the dynamic models are encapsulated by the Pareto frontiers, the online problem is a mixed‐integer programming problem which is much more computationally efficient than the original MINLP problem, and allows the online implementation to deal with uncertainties. © 2013 American Institute of Chemical Engineers AIChE J, 59: 2379–2406, 2013     

Reactor modeling and recipe optimization of polyether polyol processes: Polypropylene glycol

The reactor modeling and recipe optimization of conventional semibatch polyether polyol processes, in particular for the polymerization of propylene oxide to make polypropylene glycol, is addressed. A rigorous mathematical reactor model is first developed to describe the dynamic behavior of the polymerization process based on first‐principles including the mass and population balances, reaction kinetics, and vapor‐liquid equilibria. Next, the obtained differential algebraic model is reformulated by applying a nullspace projection method that results in an equivalent dynamic system with better computational performance. The reactor model is validated against plant data by adjusting model parameters. A dynamic optimization problem is then formulated to optimize the process recipe, where the batch processing time is minimized, given a target product molecular weight as well as other requirements on product quality and process safety. The dynamic optimization problem is translated into a nonlinear program using the simultaneous collocation strategy and further solved with the interior point method to obtain the optimal control profiles. The case study result shows a good match between the model prediction and real plant data, and the optimization approach is able to significantly reduce the batch time by 47%, which indicates great potential for industrial applications. © 2013 American Institute of Chemical Engineers AIChE J, 59: 2515–2529, 2013     

On‐Line PEMFC Control Using Parameterized Nonlinear Model‐Based Predictive Control

In this work, a fast nonlinear model‐based predictive control (NMPC) strategy is designed and experimentally validated on‐line on a real fuel cell. Regarding NMPC strategies, the most challenging part remains to achieve on‐line implementation, especially when dealing with fast dynamic systems. As previously demonstrated in a recent work, the proposed control strategy is ideally suited to address this problem. Indeed, it is 30 times faster than classical NMPC controllers. This strategy relies on a specific parameterization of the control actions to reduce the computational time and achieve on‐line implementation. Due to its short computational time compared to mechanistic models, an artificial neural network model is designed and experimentally validated. This model is employed as internal model in the NMPC controller to predict the system behavior. To confirm the applicability and the relevance of the proposed NMPC controller varying control scenarios are investigated on a test bench. The built‐in controller is overridden and the NMPC controller is implemented externally and executed on‐line. Experimental results exhibit the outstanding tracking capability and robustness against model‐process mismatch of the proposed strategy. The parameterized NMPC controller turns out to be an excellent candidate for on‐line applications.     

Integration of scheduling and control with online closed-loop implementation: Fast computational strategy and large-scale global optimization algorithm

In this paper, we propose a novel integration method to solve the scheduling problem and the control problem simultaneously. The integrated problem is formulated as a mixed-integer dynamic optimization (MIDO) problem which contains discrete variables in the scheduling problem and constraints of differential equations from the control problem. Because online implementation is crucial to deal with uncertainties and disturbances in operation and control of the production system, we develop a fast computational strategy to solve the integration problem efficiently and allow its online applications. In the proposed integration framework, we first generate a set of controller candidates offline for each possible transition, and then reformulate the integration problem as a simultaneous scheduling and controller selection problem. This is a mixed-integer nonlinear fractional programming problem with a non-convex nonlinear objective function and linear constraints. To solve the resulting large-scale problem within sufficiently short computational time for online implementation, we propose a global optimization method based on the model properties and the Dinkelbach's algorithm. The advantage of the proposed method is demonstrated through four case studies on an MMA polymer manufacturing process. The results show that the proposed integration framework achieves a lower cost rate than the conventional sequential method, because the proposed framework provides a better tradeoff between the conflicting factors in scheduling and control problems. Compared with the simultaneous approach based on the full discretization and reformulation of the MIDO problem, the proposed integration framework is computationally much more efficient, especially for large-scale cases. The proposed method addresses the challenges in the online implementation of the integrated scheduling and control decisions by globally optimizing the integrated problem in an efficient way. The results also show that the online solution is crucial to deal with the various uncertainties and disturbances in the production system.     

Dynamic optimization of a semi-batch reactor for polyurethane production

In this work, the dynamic optimization of a polyurethane copolymerization reactor is addressed. A kinetic-probabilistic model is used to describe the nonlinear step-growth polymerization of a mixture of low- and high-molecular-weight diols, and a low-molecular-weight diisocyanate. The dynamic optimization formulation gives rise to a highly complex and nonlinear differential-algebraic equation (DAE) system. The DAE optimization problem is solved using a simultaneous approach (SDO) wherein the differential and algebraic variables are fully discretized leading to a large-scale nonlinear programming (NLP) problem. The main reactor operation process control objective is the maximization of the molecular weight distribution (MWD) under a desired batch time, subject to a large set of operational constraints, while simultaneously avoiding the formation of polymer network (gel molecule). Typically, polyurethane formation is carried out using batch reactors. However, batch operation leads to attain relatively low MWD values and, if the process is not efficiently operated, there is always the possibility of obtaining a polymer network. In this work, it was found that process operation is greatly enhanced by the semi-batch addition of 1,4-butanediol and diamine, and the manipulation of the reactor temperature profile, allowing to obtain high molecular weights while avoiding the onset of the gelation point.     

Model predictive control of an industrial pyrolysis gasoline hydrogenation reactor

This study focuses on the implementation of a nonlinear model predictive control (MPC) algorithm for controlling an industrial fixed-bed reactor where hydrogenations of raw pyrolysis gasoline occur. An orthogonal collocation method is employed to approximate the original reactor model consisting of a set of partial differential equations. The approximate model obtained is used in the synthesis of a MPC controller to control the temperature rising across a catalyst bed within the reactor. In the MPC algorithm, a sequential optimization approach is used to solve an open-loop optimal control problem. Feedback information is incorporated in the MPC to compensate for modeling error and unmeasured disturbances. The control studies are demonstrated in cases of set point tracking and disturbance rejection.     

Transition from Batch to Continuous Operation in Bio‐Reactors: A Model Predictive Control Approach and Application

This work considers the problem of determining the transition of ethanol‐producing bio‐reactors from batch to continuous operation and subsequent control subject to constraints and performance considerations. To this end, a Lyapunov‐based non‐linear model predictive controller is utilized that stabilizes the bio‐reactor under continuous mode of operation. The key idea in the predictive controller is the formulation of appropriate stability constraints that allow an explicit characterization of the set of initial conditions from where feasibility of the optimization problem and hence closed‐loop stability is guaranteed. Additional constraints are incorporated in the predictive control design to expand on the set of initial conditions that can be stabilized by control designs that only require the value of the Lyapunov function to decay. Then, the explicit characterization of the set of stabilizable initial conditions is used in determining the appropriate time for which the reactor must be run in batch mode. Specifically, the predictive control approach is utilized in determining the appropriate batch length that achieves stabilizable values of the state variables at the end of the batch. Application of the proposed method to the ethanol production process using Zymomonas mobilis as the ethanol producing micro‐organism demonstrates the effectiveness of the proposed model predictive control strategy in stabilizing the bio‐reactor.     

NONLINEAR MODEL PREDICTIVE CONTROL

Nonlinear Model Predictive Control (NMPC), a strategy for constrained, feedback control of nonlinear processes, has been developed. The algorithm uses a simultaneous solution and optimization approach to determine the open-loop optimal manipulated variable trajectory at each sampling instant. Feedback is incorporated via an estimator, which uses process measurements to infer unmeasured state and disturbance values. These are used by the controller to determine the future optimal control policy. This scheme can be used to control processes described by different kinds of models, such as nonlinear ordinary differential/algebraic equations, partial differential/algebraic equations, integra-differential equations and delay equations. The advantages of the proposed NMPC scheme are demonstrated with the start-up of a non-isothermal, non-adiabatic CSTR with an irreversible, first-order reaction. The set-point corresponds to an open-loop unstable steady state. Comparisons have been made with controllers designed using (1) nonlinear variable transformations, (2) a linear controller tuned using the internal model control approach, and (3) open-loop optimal control. NMPC was able to bring the controlled variable to its set-point quickly and smoothly from a wide variety of initial conditions. Unlike the other controllers, NMPC dealt with constraints in an explicit manner without any degradation in the quality of control. NMPC also demonstrated superior performance in the presence of a moderate amount of error in the model parameters, and the process was brought to its set-point without steady-state offset.     

A bilevel NLP sensitivity‐based decomposition for dynamic optimization with moving finite elements

Optimal control has guided numerous applications in chemical engineering, and exact determination of optimal profiles is essential for operation of separation and reactive processes, and operating strategies and recipe generation for batch processes. Here, a simultaneous collocation formulation based on moving finite elements is developed for the solution of a class of optimal control problems. Novel features of the algorithm include the direct location of breakpoints for control profiles and a termination criterion based on a constant Hamiltonian profile. The algorithm is stabilized and performance is significantly improved by decomposing the overall nonlinear programming (NLP) formulation into an inner problem, which solves a fixed element simultaneous collocation problem, and an outer problem, which adjusts the finite elements based on several error criteria. This bilevel formulation is aided by a NLP solver (the interior point optimizer) for both problems as well as an NLP sensitivity component, which provides derivative information from the inner problem to the outer problem. This approach is demonstrated on 11 dynamic optimization problems drawn from the optimal control and chemical engineering literature. © 2014 American Institute of Chemical Engineers AIChE J, 60: 966–979, 2014     

一类非线性系统的变负荷预测控制

生产过程的变负荷运行使得其非线性动态特性的影响凸显。针对变负荷生产过程中机理模型为常微分方程或半显式Heisenberg微分-代数方程的一类非线性动态系统,采用非线性预测控制算法,构造出稳态优化与动态优化的两层控制结构,并采用联立法进行优化数值求解。最后对化工过程的夹套CSTR进行仿真验证,表明该算法的有效性。     

Application of experimental non-linear control based on generic algorithm to a polymerization reactor

The dynamics of free radical polymerization of styrene and on-line control of temperature in a cooling jacketed batch polymerization reactor is investigated. The benzoyl peroxide initiator is introduced into the reactor once at the beginning of the reaction to obtain the desired monomer conversion and the desired average chain length in a minimum reaction time. The optimal constant set temperature, which is generally realized in industrial applications, and the set profile are used as two different optimal operating conditions. The temperature control of the polymerization reactor is achieved experimentally and theoretically. The control of nonlinear systems has progressed considerably, and various nonlinear process model based control techniques have appeared in the literature. The problem is how to tune the controller in order to obtain comparable closed loop responses. Generic model control (GMC) is applied and the performance of the control results are compared with the previously published control results.     

Nonlinear Predictive Control of Fed‐Batch Cultures of Escherichia coli

A strategy for controlling a fed‐batch Escherichia coli culture is described to maintain the culture at the boundary between oxidative and oxido‐fermentative regimes. A nonlinear predictive controller is designed to regulate the acetate concentration, constraining the feed rate to follow an optimal reference profile which maximizes the biomass growth. For the sake of simplicity and efficiency, the original problem is converted into an unconstrained nonlinear programming problem, solved by control vector parameterization techniques. The robustness of the structure is further improved by explicitly including the difference between system and model prediction. A robustness study based on a Monte Carlo approach is used to evaluate the performance of the proposed controller. This control law is finally compared to the generic model control strategy.     

Robust model predictive control and fault handling of batch processes

This work considers the control of batch processes subject to input constraints and model uncertainty with the objective of achieving a desired product quality. First, a computationally efficient nonlinear robust Model Predictive Control (MPC) is designed. The robust MPC scheme uses robust reverse‐time reachability regions (RTRRs), which we define as the set of process states that can be driven to a desired neighborhood of the target end‐point subject to input constraints and model uncertainty. A multilevel optimization‐based algorithm to generate robust RTRRs for specified uncertainty bounds is presented. We then consider the problem of uncertain batch processes subject to finite duration faults in the control actuators. Using the robust RTRR‐based MPC as the main tool, a robust safe‐steering framework is developed to address the problem of how to operate the functioning inputs during the fault repair period to ensure that the desired end‐point neighborhood can be reached upon recovery of the full control effort. The applicability of the proposed robust RTRR‐based controller and safe‐steering framework subject to limited availability of measurements and sensor noise are illustrated using a fed‐batch reactor system. © 2010 American Institute of Chemical Engineers AIChE J, 2011     

MODELING AND OPTIMIZATION OF LACTIC ACID SYNTHESIS BY THE ALKALINE DEGRADATION OF FRUCTOSE IN A BATCH REACTOR

The present work deals with the determination of the optimal operating conditions of lactic acid synthesis by the alkaline degradation of fructose. It is a complex transformation for which detailed knowledge is not available. It is carried out in a batch or semi-batch reactor. The “Tendency Modeling” approach, which consists of the development of an approximate stoichiometric and kinetic model, has been used. An experimental planning method has been utilized as the database for model development. The application of the experimental planning methodology allows comparison between the experimental and model response. The model is then used in an optimization procedure to compute the optimal process. The optimal control problem is converted into a nonlinear programming problem solved using the sequencial quadratic programming procedure coupled with the golden search method. The strategy developed allows simultaneously optimizing the different variables, which may be constrained. The validity of the methodology is illustrated by the determination of the optimal operating conditions of lactic acid production.     

基于全局正交配置的非线性预测控制算法

针对非线性预测控制(NMPC)在线优化计算量大这一关键问题,提出一种基于全局正交配置的非线性预测控制算法。该算法以高阶插值正交多项式为基函数同时配置优化时域内的状态变量和控制变量,将连续动态优化问题转化为非线性规划问题(NLP)求解。全局正交配置可以使用较少的配置点而获得较高的逼近精度,这样即使NMPC使用很长的优化时域,离散化后得到的NLP问题的规模也比较小,能够有效地降低在线优化计算量。最后,以连续聚合反应过程为例验证了算法的有效性。     

Considerations on nonlinear model predictive control techniques

The nonlinear model predictive control (NMPC) is an on-line application based on nonlinear convolution models. It is an appealing control methodology, but it is difficult to implement and its solution is not so performing since it unavoidably means to solve a usually large-scale, constrained, and multidimensional optimization. To increase the difficulty, this optimization problem is subject to computationally heavy differential and algebraic constraints constituting the same convolution model and the least squares nature of the objective function easily leads to narrow valleys and multimodality issues.Beyond a short review of the state-of-the-art, the paper is aimed at highlighting the possibility to exploit at best the intrinsic features of the specific system one is going to control using the NMPC. The idea is to give the NMPC the possibility to automatically select the best combination of algorithms (differential solvers and optimizers) in accordance with the specific problem to be solved. From this perspective, the NMPC could be easily extended to many scientific fields traditionally far from process systems and computer-aided process engineering and the user has not to worry about which specific differential solvers and optimizers are needed to solve his/her problem.     

Application of state estimation based NMPC to an unstable nonlinear process

Model predictive control (MPC) has become very popular both in process industry and academia due to its effectiveness in dealing with nonlinear, multivariable and/or hard-constrained plants.Although linear MPC can be applied for controlling nonlinear processes by obtaining a linearized model of the plant, this is only valid in a limited region. Therefore, a substantial improvement can be achieved by using the whole knowledge of the process dynamics, specially in the presence of marked nonlinearities. This effect can be strong if the process to control is open-loop unstable.The purpose of this paper is to introduce a nonlinear model predictive controller (NMPC) based on nonlinear state estimation, in order to exploit the knowledge of the nonlinear dynamics and to avoid modeling simplifications or linearization.A state-space formulation is proposed to achieve the control objective. To update the optimization involved in NMPC strategy, state estimation based on the measured outputs is proposed.As a particular application, we consider an open-loop unstable jacketed exothermic chemical reactor. This CSTR is widely recognized as a difficult problem for the purpose of control. In order to achieve the control goal, a NMPController coupled with a state observer are designed. The observer is also used to estimate some unmeasured disturbances. Finally, computer simulations are developed for showing the performance of both the nonlinear observer and the control strategy.     

Integrated B2B‐NMPC control strategy for batch/semibatch crystallization processes

The uncertainty in crystallization kinetics is of major concern in manufacturing processes, which can result in deterioration of most model‐based control strategies. In this study, uncertainties in crystallization kinetic parameters were characterized by Bayesian probability distributions. An integrated B2B‐NMPC control strategy was proposed to first update the kinetic parameters from batch to batch using a multiway partial least‐squares (MPLS) model, which described the variances of kinetic parameters from that of process variables and batch‐end product qualities. The process model with updated kinetic parameters was then incorporated into an NMPC design, the extended prediction self‐adaptive control (EPSAC), for online control of the final product qualities. Promising performance of the proposed integrated strategy was demonstrated in a simulated semibatch pH‐shift reactive crystallization process to handle major crystallization kinetic uncertainties of L‐glutamic acid, wherein smoother and faster convergences than the conventional B2B control were observed when process dynamics were shifted among three scenarios of kinetic uncertainties. © 2017 American Institute of Chemical Engineers AIChE J, 2017     

MODELING AND OPTIMIZATION OF LACTIC ACID SYNTHESIS BY THE ALKALINE DEGRADATION OF FRUCTOSE IN A BATCH REACTOR

The present work deals with the determination of the optimal operating conditions of lactic acid synthesis by the alkaline degradation of fructose. It is a complex transformation for which detailed knowledge is not available. It is carried out in a batch or semi-batch reactor. The “Tendency Modeling” approach, which consists of the development of an approximate stoichiometric and kinetic model, has been used. An experimental planning method has been utilized as the database for model development. The application of the experimental planning methodology allows comparison between the experimental and model response. The model is then used in an optimization procedure to compute the optimal process. The optimal control problem is converted into a nonlinear programming problem solved using the sequencial quadratic programming procedure coupled with the golden search method. The strategy developed allows simultaneously optimizing the different variables, which may be constrained. The validity of the methodology is illustrated by the determination of the optimal operating conditions of lactic acid production.     

Inferential Control of Reactive Destillation Columns – An Algorithmic Approach

Decentralized control system design comprises the selection of a suitable control structure and controller parameters. Here, mixed integer optimization is used to determine the optimal control structure and the optimal controller parameters simultaneously. The process dynamics is included explicitly into the constraints using a rigorous nonlinear dynamic process model. Depending on the objective function, which is used for the evaluation of competing control systems, two different formulations are proposed which lead to mixed‐integer dynamic optimization (MIDO) problems. A MIDO solution strategy based on the sequential approach is adopted in the present paper. Here, the MIDO problem is decomposed into a series of nonlinear programming (NLP) subproblems (dynamic optimization) where the binary variables are fixed, and mixed‐integer linear programming (MILP) master problems which determine a new binary configuration for the next NLP subproblem. The proposed methodology is applied to inferential control of reactive distillation columns as a challenging benchmark problem for chemical process control.