Integrated batch‐to‐batch and nonlinear model predictive control for polymorphic transformation in pharmaceutical crystallization

Polymorphism, a phenomenon in which a substance can have more than one crystal form, is a frequently encountered phenomenon in pharmaceutical compounds. Different polymorphs can have very different physical properties such as crystal shape, solubility, hardness, color, melting point, and chemical reactivity, so that it is important to ensure consistent production of the desired polymorph. In this study, an integrated batch‐to‐batch and nonlinear model predictive control (B2B‐NMPC) strategy based on a hybrid model is developed for the polymorphic transformation of L ‐glutamic acid from the metastable α‐form to the stable β‐form crystals. The hybrid model comprising of a nominal first‐principles model and a correction factor based on an updated PLS model is used to predict the process variables and final product quality. At each sampling instance during a batch, extended predictive self‐adaptive control (EPSAC) is employed as a NMPC technique to calculate the control action by using the current hybrid model as a predictor. At the end of the batch, the PLS model is updated by utilizing the measurements from the batch and the above procedure is repeated to obtain new control actions for the next batch. In a simulation study using a previously reported model for a polymorphic crystallization with experimentally determined parameters, the proposed B2B‐NMPC control strategy produces better performance, where it satisfies all the state constraints and produces faster and smoother convergence, than the standard batch‐to‐batch strategy. © 2010 American Institute of Chemical Engineers AIChE J, 2011     

一种基于状态估计的间歇过程模型实时更新预测控制策略简

Nonlinear model predictive control （NMPC） is an appealing control technique for improving the per- formance of batch processes, but its implementation in industry is not always possible due to its heavy on-line computation. To facilitate the implementation of NMPC in batch processes, we propose a real-time updated model predictive control method based on state estimation. The method includes two strategies： a multiple model building strategy and a real-time model updated strategy. The multiple model building strategy is to produce a series of sim- plified models to reduce the on-line computational complexity of NMPC. The real-time model updated strategy is to update the simplified models to keep the accuracy of the models describing dynamic process behavior. The method is validated with a typical batch reactor. Simulation studies show that the new method is efficient and robust with respect to model mismatch and changes in process parameters.     

Nonlinear model predictive control for dividing wall columns

Dividing wall columns (DWCs) are practical, effective, and promising among distillation process intensification technologies. Nonlinear model predictive control (NMPC) schemes are developed in this study to control the three-product DWCs. As these systems are intensely interactive and highly nonlinear, NMPC may be more suitable than the traditional PI control. The model is established based on Python and Pyomo platforms. As the original mathematical model of the column section is ill-posed, index reduction is used to avoid a high-index differential-algebraic equation (DAE) system. The well-posed index-1 system after index reduction is employed for the steady-state simulation and dynamic control in this study. Case studies with three DWC configurations to separate the mixture of ethanol (A), n-propanol (B), and n-butanol (C) show that the NMPC performs very well with small maximum deviations and short settling times. This demonstrates that the NMPC is a feasible and very effective scheme to control three-product DWCs.     

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.     

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     

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.     

变增益的非线性预测控制算法

采用变增益策略,用输入与稳态输出的映射表示系统的静态非线性,用一个增益为1的ARX模型表示系统的动态模型,代替多数文献中常用的分段线性多模型方法进行非线性系统的预测控制.文中通过对连续搅拌釜反应器(CSTR)的仿真,验证了本算法的有效性.     

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.     

Multistage nonlinear model predictive control for pumping treatment in hydraulic fracturing

Hydraulic fracturing has gained increasing attention as it allows the constrained natural gas and crude oil to flow out of low-permeability shale formations and significantly increase production. Perilous operating states of extremely high pressure also raise some safety concerns, requiring us to formulate an appropriate dynamic model, and provide a careful engineering control to ensure safe operating conditions. Moreover, uncertainties due to spatially varying rock properties increase the difficulties in control of the fracturing process. In this work, we formulate a first-principles model by considering the fracture evolution, mass transport of substances in the slurry, changing fluid properties, and the monitored operating pressure on the ground level. Next, we implement nonlinear model predictive control (NMPC) to control the process under a set of final requirements and process constraints. Our results show that the performance of standard NMPC degrades when the rock uncertainty causes the parameter mismatch between the process and the predictive model in the controller. With standard NMPC, designed with a nominal model, the process fails to meet the terminal requirements of fracture geometry, and pressure is violated in one of the parameter mismatch cases. Therefore, we resort to multistage NMPC, which considers uncertainty evolution in a scenario tree with separate control sequences to address constraint violations. We demonstrate that multistage NMPC presents good performance by showing constraint satisfaction whether the uncertain rock parameter realization is time-invariant or time-variant. We also simulate the process with multistage NMPC including different numbers of scenarios and compare their control performance. Our investigation demonstrates that multistage NMPC effectively manages parametric uncertainties attributed to non-homogeneous rock formation, and provides a promising control strategy for the hydraulic fracturing process.     

基于广义预测控制的间歇生产迭代优化控制

针对间歇生产,提出了一种基于广义预测控制的批次迭代优化控制策略--BGPC,在间歇过程中引入批次间优化的思想,将迭代学习控制ILC和广义预测控制GPC相结合,在GPC实时结构参数辨识的基础上利用前面批次的模型预测误差修正当前批次的模型预测值.该算法能够有效地克服模型失配、扰动和系统参数变化等情况.文章最后以一个数值例子和间歇反应器为对象进行仿真试验,验证了该算法是有效的.     

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.     

Dynamic optimization oriented modeling and nonlinear model predictive control of the wet limestone FGD system

Nonlinear model predictive control (NMPC) scheme is an effective method of multi-objective optimization control in complex industrial systems. In this paper, a NMPC scheme for the wet limestone flue gas desulphurization (WFGD) system is proposed which provides a more flexible framework of optimal control and decision-making compared with PID scheme. At first, a mathematical model of the FGD process is deduced which is suitable for NMPC structure. To equipoise the model's accuracy and conciseness, the wet limestone FGD system is separated into several modules. Based on the conservation laws, a model with reasonable simplification is developed to describe dynamics of different modules for the purpose of controller design. Then, by addressing economic objectives directly into the NMPC scheme, the NMPC controller can minimize economic cost and track the set-point simultaneously. The accuracy of model is validated by the field data of a 1000 MW thermal power plant in Henan Province, China. The simulation results show that the NMPC strategy improves the economic performance and ensures the emission requirement at the same time. In the meantime, the control scheme satisfies the multiobjective control requirements under complex operation conditions (e.g., boiler load fluctuation and set point variation). The mathematical model and NMPC structure provides the basic work for the future development of advanced optimized control algorithms in the wet limestone FGD systems.     

Nonlinear model predictive control of an industrial polymerization process

Nonlinear model predictive control (NMPC) is used to maintain and control polymer quality at specified production rates because the polymer quality measures have strong interacting nonlinearities with different temperatures and feed rates. Polymer quality measures that are available from the laboratory infrequently are controlled in closed-loop using a NMPC to set the temperature profile of the reactors. NMPC results in better control of polymer quality measures at different production rates as compared to using the nonlinear process model with reaction kinetics to implement offline targets for reactor temperatures.     

Model predictive control for wastewater treatment process with feedforward compensation

Being an optimizing technology, model predictive control (MPC) can now be found in a wide variety of application fields. The main and most obvious control goal to be achieved in a wastewater treatment plant is to fulfill the effluent quality standards, while minimizing the operational costs. In order to maintain the effluent quality within regulation-specified limits, the MPC strategy has been applied to the Benchmark Simulation Model 1 (BSM1) simulation benchmark of wastewater treatment process. After the discussion of open loop responses of outputs to manipulated inputs and measured influent disturbances, the strategies of feedback by linear dynamic matrix control (DMC), quadratic dynamic matrix control (QDMC) and nonlinear model predictive control (NLMPC), and improvement by feedforward based on influent flow rate or ammonium concentration have been investigated. The simulation results indicate that good performance was achieved under steady influent characteristics, especially concerning the nitrogen-related species. Compared to DMC and QDMC, NLMPC with penalty function brings little improvement. Two measured disturbances have been used for feedforward control, the influent flow rate and ammonium concentration. It is shown that the performance of feedforward with respect to the influent ammonium concentration is much higher than for the feedforward with respect to the influent flow rate. However, this latter is slightly better than the DMC feedback. The best performance is obtained by combining both feedforward controllers with respect to the influent ammonium concentration and flow rate. In all cases, the improvement of performance is correlated with more aeration energy consumption.     

Observer based nonlinear quadratic dynamic matrix control for state space and input/output models

An observer based nonlinear Quadratic Dynamic Matrix Control (QDMC) algorithm is developed for use with nonlinear input-output (I/O) and state space models. It generalizes and extends previously published nonlinear QDMC algorithms. The extension to I/O models is particularly important due to the increased use of neural networks and other types of nonlinear black box models in the chemical industry. Disturbance rejection and offset free tracking is addressed in a general setting utilizing concepts from filtering theory. Various kinds of disturbance models can be incorporated in the formulation. Even though nonlinear models are utilized for model prediction, the on-line optimization is formulated as a single Quadratic Program, thus preserving the computational advantages of nonlinear QDMC as compared to Model Predictive Control algorithms based on nonlinear programming techniques. The examples illustrate parameter tuning for open-loop unstable and stable processes and point out both benefits and shortcomings of the algorithm.     

Rotary Dryer Control Using a Grey-Box Neural Model Scheme

The application of a Grey-box Neural Model (GNM) in a nonlinear model predictive control scheme (NMPC) of a direct rotary dyer is presented in this work. The GNM, which is based on the combination of phenomenological models and empirical artificial neural network (ANN) models, was properly developed and validated by using experimental fish-meal rotary drying information. The GNM was created by combining the rotary dryer mass and energy balances and a feed forward neural network (FFNN), trained off-line to estimate the drying rate and the volumetric heat transfer coefficient. The GNM results allowed us to obtain the relation between the controlled variable (solid moisture content) and the manipulated variable (gas phase entrance temperature) used in the predictive control strategy. Two NMPC control strategies, one with a fixed extended prediction horizon and another with an extended range prediction horizon, were applied to a simulated industrial fish-meal drying process. The results showed that a correct rotary dryer representation can be obtained by using a GNM approach. Due to the representation capability of the GNM approach, excellent control performances of the NMPCs were observed when the process variables were subject to disturbances. As analyzed in this work, the fixed extended prediction horizon MPC surpassed recognized control methodologies (quadratic dynamic matrix control).     

Dynamic Optimization and Non‐linear Model Predictive Control to Achieve Targeted Particle Morphologies

An event‐driven approach based on dynamic optimization and nonlinear model predictive control (NMPC) is investigated together with inline Raman spectroscopy for process monitoring and control. The benefits and challenges in polymerization and morphology monitoring are presented, and an overview of the used mechanistic models and the details of the dynamic optimization and NMPC approach to achieve the relevant process objectives are provided. Finally, the implementation of the approach is discussed, and results from experiments in lab and pilot‐plant reactors are presented.     

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.     

Model based control of a liquid swelling constrained batch reactor subject to recipe uncertainties

This work presents the application of nonlinear model predictive control (NMPC) to a simulated industrial batch reactor subject to safety constraint due to reactor level swelling, which can occur with relatively fast dynamics. Uncertainties in the implementation of recipes in batch process operation are of significant industrial relevance. The paper describes a novel control-relevant formulation of the excessive liquid rise problem for a two-phase batch reactor subject to recipe uncertainties. The control simulations are carried out using a dedicated NMPC and optimization software toolbox OptCon which implements efficient numerical algorithms. The open-loop optimal control problem is computed using the multiple-shooting technique and the arising nonlinear programming problem is solved using a sequential quadratic programming (SQP) algorithm tailored for large-scale problems, based on the freeware optimization environment HQP. The fast response of the NMPC controller is guaranteed by the initial value embedding and real-time iteration technologies. It is concluded that the OptCon implementation allows small sampling times and the controller is able to maintain safe and optimal operation conditions, with good control performance despite significant uncertainties in the implementation of the batch recipe.     

Nonlinear model predictive control based on support vector machine and genetic algorithm

This paper presents a nonlinear model predictive control (NMPC) approach based on support vector machine (SVM) and genetic algorithm (GA) for multiple-input multiple-output (MIMO) nonlinear systems. Individual SVM is used to approximate each output of the controlled plant. Then the model is used in MPC control scheme to predict the outputs of the controlled plant. The optimal control sequence is calculated using GA with elite preserve strategy. Simulation results of a typical MIMO nonlinear system show that this method has a good ability of set points tracking and disturbance rejection.