On-line optimal control of a seeded batch cooling crystallizer

In this paper, an on-line optimal control methodology is developed for the optimal quality control of a seeded batch cooling crystallizer process. An extended Kalman filter is successfully implemented to predict seven unmeasured state variables based on three measurements in the batch process. A PI controller is used in a feedback control system to implement the optimal path. It is found that the PI controller can ensure tracking of the optimal path. The simulation results show that on-line optimal control strategy leads to a substantial improvement of the end product quality expressed in terms of the mean size and the width of the distribution. The effects of the plant/model mismatch and disturbances are also tested and discussed.     

On-line batch process monitoring using dynamic PCA and dynamic PLS models

Producing value-added products of high-quality is the common objective in industries. This objective is more difficult to achieve in batch processes whose key quality measurements are not available on-line. In order to reduce the variations of the product quality, an on-line batch monitoring scheme is developed based on the multivariate statistical process control. It suggests using the past measured process variables without real-time quality measurement at the end of the batch run. The method, referred to as BDPCA and BDPLS, integrates the time-lagged windows of process dynamic behavior with the principal component analysis and partial least square respectively for on-line batch monitoring. Like traditional MPCA and MPLS approaches, the only information needed to set up the control chart is the historical data collected from the past successful batches. This leads to simple monitoring charts, easy tracking of the progress in each batch run and monitoring the occurrence of the observable upsets. BDPCA and BDPLS models only collect the previous data during the batch run without expensive computations to anticipate the future measurements. Three examples are used to investigate the potential application of the proposed method and make a comparison with some traditional on-line MPCA and MPLS algorithms.     

Batch-to-batch iterative learning control and within-batch on-line control for end-point qualities using MPLS-based dEWMA

A new feedback batch control strategy based on multiway partial least squares (MPLS) model and dEWMA (double exponentially weighted moving average) control for the end-point product quality system is proposed in this paper. It combines batch-to-batch (BtB) control with on-line tracking control within a batch. In the BtB operation, MPLS-based dEWMA control is done by applying feedback from the final output quality of the batch process. It utilizes the information from the current batch to improve quality for the next batch. The advantage of MPLS is to extract the strongest relationship between the input and the output variables in the reduced space of the latent variables model rather than in the real space of the highly dimensional manipulated variable trajectories. It is particularly useful for inherent noise suppression. Then the optimal manipulated variable trajectories in the score space without decoupler design can be directly and individually applied to each control loop under the MPLS modeling structure. Then the dEWMA controller can be applied to each SISO control loop respectively to address the model errors gradually reduced from model-plant mismatches and unmeasured disturbances. In on-line tracking control within a batch, the MPLS-based dEWMA control strategy is developed to explore the possible adjustments of the future input trajectories. It fixes up the disturbances just in time instead of until the next batch run and maintains the product specification when this batch is finished. To demonstrate the potential applications of the proposed design method, a typical batch reactor with processes of different dynamics is applied. Comparisons between MPLS-based dEWMA BtB control and MPLS-based dEWMA within-batch control are also made.     

Three-way data analysis with time lagged window for on-line batch process monitoring

In this paper, on-line batch process monitoring is developed on the basis of the three-way data structure and the time-lagged window of process dynamic behavior. Two methods, DPARAFAC (dynamic parallel factor analysis) and DTri-PLS (dynamic trilinear partial least squares), are used here depending on the process variables only or on the process variables and quality indices, respectively. Although multivariate analysis using such PARAFAC (parallel factor analysis) and Tri-PLS (trilinear partial least squares) models has been reported elsewhere, they are not suited for practicing on-line batch monitoring owing to the constraints of their data structures. A simple modification of the data structure provides a framework wherein the moving window based model can be incorporated in the existing three-way data structure to enhance the detectability of the on-line batch monitoring. By a sequence of time window of each batch, the proposed methodology is geared toward giving meaningful results that can be easily connected to the current measurements without the extra computation for the estimation of unmeasured process variables. The proposed method is supported by using two sets of benchmark fault detection problems. Comparisons with the existing two-way and three-way multiway statistical process control methods are also included.     

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     

基于粒子滤波联合估计的气相聚乙烯质量指标在线估计

针对气相聚乙烯生产中各种复杂的工况造成在线估计精度下降的现象,基于乙烯聚合机理并利用特征建模方法建立了聚乙烯质量指标预测模型,结合扩展卡尔曼滤波,提出了粒子滤波联合估计方法,即将状态和修正系数组成增广状态向量,实现对质量指标预测模型的在线滤波修正,并分析了基于粒子滤波估计的收敛性。所提方法在中石化某气相聚乙烯装置的长周期运行结果证实了所提方法的可行性和有效性,为实施聚乙烯装置的先进控制奠定了基础。     

Data‐driven model predictive quality control of batch processes

The problem of driving a batch process to a specified product quality using data‐driven model predictive control (MPC) is described. To address the problem of unavailability of online quality measurements, an inferential quality model, which relates the process conditions over the entire batch duration to the final quality, is required. The accuracy of this type of quality model, however, is sensitive to the prediction of the future batch behavior until batch termination. In this work, we handle this “missing data” problem by integrating a previously developed data‐driven modeling methodology, which combines multiple local linear models with an appropriate weighting function to describe nonlinearities, with the inferential model in a MPC framework. The key feature of this approach is that the causality and nonlinear relationships between the future inputs and outputs are accounted for in predicting the final quality and computing the manipulated input trajectory. The efficacy of the proposed predictive control design is illustrated via closed‐loop simulations of a nylon‐6,6 batch polymerization process with limited measurements. © 2013 American Institute of Chemical Engineers AIChE J, 59: 2852–2861, 2013     

Product quality improvement of batch crystallizers by a batch-to-batch optimization and nonlinear control approach

Batch crystallization is one of the widely used processes for separation and purification in many chemical industries. Dynamic optimization of such a process has recently shown the improvement of final product quality in term of a crystal size distribution (CSD) by determining an optimal operating policy. However, under the presence of unknown or uncertain model parameters, the desired product quality may not be achieved when the calculated optimal control profile is implemented. In this study, a batch-to-batch optimization strategy is proposed for the estimation of uncertain kinetic parameters in the batch crystallization process, choosing the seeded batch crystallizer of potassium sulfate as a case study. The information of the CSD obtained at the end of batch run is employed in such an optimization-based estimation. The updated kinetic parameters are used to modify an optimal operating temperature policy of a crystallizer for a subsequent operation. This optimal temperature policy is then employed as new reference for a temperature controller which is based on a generic model control algorithm to control the crystallizer in a new batch run.     

Development of hidden semi-Markov models for diagnosis of multiphase batch operation

This paper deals with automatic on-line detection and diagnosis of fault patterns in multiphase batch processes. A novel and flexible approach based on the combination of hidden segmental semi-Markov models (HSMM) and multiway principal component analysis (MPCA) is proposed. In all batch operations, process variables may have correlations with each other, and MPCA is used to handle cross-correlation among process variables. In multiphase batch processes, the effect of external factors on process variables is phase-specific and the duration of each phase varies from batch to batch. HSMM is used to model the multiphase batch operation by representing each phase with a macro-state whose duration is determined by a phase-specific probability distribution of a number of micro-states. The output of each micro-state corresponds to the values of the monitored variables at a specific point in time. Given this structure, MPCA-HSMM parameters are trained by the batch operation data and recursive Viterbi algorithm is used to find out the optimum state sequence from each batch. Probability values of the optimum state sequence are collected to construct the probabilistic model which is used to compute the corresponding control limit for the specified operating condition. One MPCA-HSMM model is to be built for each type of previously known operating condition—normal and fault events. The power and advantages of the proposed method are successfully demonstrated in a simulated fed-batch penicillin cultivation process. MPCA-HSMM correctly identifies the type of fault from the batch operation data.     

Online polymer molecular weight and conversion monitoring via calorimetric measurements in RAFT emulsion polymerization

BACKGROUND: Online measurements of key emulsion polymerization attributes, such as conversion and molar mass distribution, are unavailable. Costly offline measurements at low sampling frequencies with time delays usually lead to insurmountable challenges in real‐time product quality monitoring and process/product control. RESULTS: We developed an online calorimetric method monitoring the evolution of conversion and molecular weight in complex polymerization reactors. Our experiments were carried out in a 1 L reactor to produce polystyrene homopolymer. Monomer conversion was obtained in real time from polymerization rate, which was estimated from temperature measurements using platinum thermal transducers. The calorimetric model was validated offline for batch and semi‐batch emulsion polymerization of styrene with and without transfer agents. The conversion was validated using offline gravimetry. The molecular weights measured offline via size exclusion chromatography with multiple detectors compared well with those estimated online using the calorimetric method. CONCLUSION: We found that a semi‐batch emulsion polymerization process can be controlled online to approach living polymerization involving transfer agents. Thus our model is suitable as a ‘soft‐sensor’ for real‐time control applications. Copyright © 2009 Society of Chemical Industry     

DYNAMIC OPTIMAL CONTROL OF BATCH CRYSTALLIZATION PROCESSES

This work applies an on-line optimal control strategy developed by Zhang (2001) to two cooling batch crystallization processes. The algorithm initially finds the optimal crystallizer temperature and subsequently uses a feedback control system in order to achieve the desired final product quality of the crystals expressed in terms of the final crystal size distribution. In both batch processes, it is shown that the on-line optimal control approach provides better final product quality as compared with a simplified optimal cooling policy. The improvement is especially noticeable in the presence of plant/model mismatch or errors in the initial conditions.     

分批补料反应过程的非固定终端经济优化控制

针对批次生产周期不确定问题,提出一种非固定终端的经济优化控制方法。首先采用经济模型预测控制方法,用收益最大化的经济型目标函数代替终端约束,并将批次生产周期纳入被优化变量,建立动态经济优化问题,并通过对每个控制变量进行有差异的参数化,将动态优化问题转化为非线性规划（NLP）问题;然后使用内点罚函数法求解含非线性约束的优化问题,得到的最优控制序列和最佳批次生产周期,可将不确定扰动带来的损失降低到最小。其次采用非固定预测时域的滚动时域控制方法,不仅提高多变量系统的协同控制能力,而且根据实时预测终端产品产量不断优化更新关键操纵变量的控制分段函数的分割数及控制序列,从而可灵活优化操纵变量和操作时间的轨迹。最后在苯胺加氢过程上进行了批次优化控制性能测试,测试结果表明,非固定终端的经济优化控制从批次的总生产效益角度来优化每个批次生产的操作条件,实现批次反应过程生产时间与经济效益的最优化管理。     

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 CONTROL OF A TEMPERATURE-BASED HIGH-PURITY DISTILLATION COLUMN*

Industrial distillation columns typically lack adequate on-line instrumentation required for implementing high performance, model-based control systems which depend on composition measurements. The typical practice is to base product quality control schemes instead on tray temperature measurements since these are usually available on-line. While this strategy has been applied with success on a wide variety of distillation columns, some special considerations may be necessary in dealing with high-purity columns. This paper presents results which address some of the key issues involved with the use of tray temperature measurements as surrogates for composition measurements, and with the development of appropriate input/output models for multi variable control of high-purity columns. For the purpose of illustration, we investigate the performance of several model predictive control schemes based on a linear model, a “high frequency” model, and a nonlinear temperature transformation, along with that of conventional multiloop PID control. Closed-loop control performances are compared for setpoint changes as well as for changes in unmeasurable load disturbances.     

基于Fisher子空间特征提取的间歇过程监控和故障诊断

1 INTRODUCTION Process monitoring and fault diagnosis are the most important tasks that determine the successful operation and the final product quality. In batch proc- ess, small changes in the operating conditions may impact the final product quality, which is often exam- ined off-line in a laboratory. If the quality variable does not satisfy a specified criterion, then it is not possible to examine the causes of fault and the time of its occurrence[1]. Therefore, early fault detection …     

Subspace identification for data‐driven modeling and quality control of batch processes

In this work, we present a novel, data‐driven, quality modeling, and control approach for batch processes. Specifically, we adapt subspace identification methods for use with batch data to identify a state‐space model from available process measurements and input moves. We demonstrate that the resulting linear time‐invariant (LTI), dynamic, state‐space model is able to describe the transient behavior of finite duration batch processes. Next, we relate the terminal quality to the terminal value of the identified states. Finally, we apply the resulting model in a shrinking‐horizon, model predictive control scheme to directly control terminal product quality. The theoretical properties of the proposed approach are studied and compared to state‐of‐the‐art latent variable control approaches. The efficacy of the proposed approach is demonstrated through a simulation study of a batch polymethyl methacrylate polymerization reactor. Results for both disturbance rejection and set‐point changes (i.e., new quality grades) are demonstrated. © 2016 American Institute of Chemical Engineers AIChE J, 62: 1581–1601, 2016     

一种间歇过程产品质量迭代学习控制策略

针对基于迭代学习控制的间歇过程产品质量优化控制算法难以进行收敛性分析的难题,以数据驱动的神经模糊模型为基础,提出一种新颖间歇过程的产品质量迭代学习控制方法。通过在优化算法中加入了新的约束条件,改变了最优解的搜索空间范围,从而使产品质量在批次轴上收敛,并创新性地对优化问题的收敛性给出了严格的数学证明。在理论研究的基础上,将提出的算法用于间歇连续反应釜的终点质量控制研究,仿真结果验证了本文算法的有效性和实用价值,为间歇过程的优化控制提供了一条新途径。     

基于KPLS模型的间歇过程产品质量控制

针对间歇过程所具有的非线性特性,提出了一种基于核偏最小二乘(KPLS)模型的最终产品质量控制策略。利用初始条件、批次展开后的过程数据以及最终产品质量建立了间歇过程的KPLS模型;采用基于主成分分析(PCA)映射的预估方法对未知的过程数据进行补充,实现了最终产品质量的在线预测。为了解决最终产品质量的控制,利用T2统计量确定KPLS模型的适用范围,并作为约束引入产品质量控制问题,提高控制策略的可行性;采用粒子群优化(PSO)算法实现了优化问题的高效求解。仿真结果表明,与基于偏最小二乘(PLS)模型的控制策略相比,所提出的方法具有更高的预测精度,且能有效解决产品质量控制中出现的各种问题。     

一种基于混合建模技术的MIMO软测量建模方法

针对复合肥产品中几种养分含量需要同时预报的一类多输入/多输出(MIMO)软测量建模问题,提出一种基于混合建模方法的复合肥养分含量MIMO软测量模型。该混合模型首先对几个不能实时测量的关键辅助变量采用基于限定记忆部分最小二乘算法的数据驱动建模方法建立自适应软测量模型,然后采用简化机理模型实时计算三种养分含量。基于实际工业过程数据的仿真结果表明,所建模型运算速度快、预测精度高,可以满足复合肥养分含量在线预报的要求。     

Multivariate Modeling of a Chemical Toner Manufacturing Process

Modeling, optimization, process monitoring, and product development in a toner process using multiway principal component analysis and multiway partial least square method is described. Process measurements and product quality values of past successful batches were collected in a data matrix and preprocessed through time alignment, centering, and scaling. Following the identification of latent variables, an empirical model was built through a fourfold cross validation that can represent the operation of a successful batch. The prepared model provided a realistic prediction of process behavior, realistically represented the operation of the industrial unit, and is mathematically simple enough to be used in online optimization and for automatic control strategies of selected abnormal batches.