Towards the integration of process design,control and scheduling: Are we getting closer?

The integration of design and control, control and scheduling and design, control and scheduling, all have been core PSE challenges. While significant progress has been achieved over the years, it is fair to say that at the moment there is not a generally accepted methodology and/or “protocol” for such an integration – it is also interesting to note that currently, there is not a commercially available software [or even in a prototype form] system to fully support such an activity.Here, we present the foundations for such an integrated framework and especially a software platform that enables such integration based on research developments over the last 25 years. In particular, we describe PAROC, a prototype software system which allows for the representation, modeling and solution of integrated design, scheduling and control problems. Its main features include: (i) a high-fidelity dynamic model representation, also involving global sensitivity analysis, parameter estimation and mixed integer dynamic optimization capabilities; (ii) a suite/toolbox of model approximation methods; (iii) a host of multi-parametric programming solvers for mixed continuous/integer problems; (iv) a state-space modeling representation capability for scheduling and control problems; and (v) an advanced toolkit for multi-parametric/explicit Model Predictive Control and moving horizon reactive scheduling problems. Algorithms that enable the integration capabilities of the systems for design, scheduling and control are presented on a case of a series of cogeneration units.     

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.     

Controlled exploration of state space in off-line ADP and its application to stochastic shortest path problems

This paper addresses the problem of finding a control policy that drives a generic discrete event stochastic system from an initial state to a set of goal states with a specified probability. The control policy is iteratively constructed via an approximate dynamic programming (ADP) technique over a small subset of the state space that is evolved via Monte Carlo simulations. The effect of certain user-chosen parameters on the performance of the algorithm is investigated. The method is evaluated on several stochastic shortest path (SSP) examples and on a manufacturing job shop problem. We solve SSP problems that contain up to one million states to illustrate the scaling of computational and memory benefits with respect to the problem size. In the case of the manufacturing job shop example, the proposed ADP approach outperforms a traditional rolling horizon math programming approach.     

Integration of production scheduling and dynamic optimization for multi-product CSTRs: Generalized Benders decomposition coupled with global mixed-integer fractional programming

Integration of production scheduling and dynamic optimization can improve the overall performance of multi-product CSTRs. However, the integration leads to a mixed-integer dynamic optimization problem, which could be challenging to solve. We propose two efficient methods based on the generalized Bender decomposition framework that take advantage of the special structures of the integrated problem. The first method is applied to a time-slot formulation. The decomposed primal problem is a set of separable dynamic optimization problems and the master problem is a mixed-integer nonlinear fractional program. The master problem is then solved to global optimality by a fractional programming algorithm, ensuring valid Benders cuts. The second decomposition method is applied to a production sequence formulation. Similar to the first method, the second method uses a fractional programming algorithm to solve the master problem. Compared with the simultaneous method, the proposed decomposition methods can reduce the computational time by over two orders of magnitudes for a polymer production process in a CSTR.     

A state-space model for chemical production scheduling

We express a general mixed-integer programming (MIP) scheduling model in state-space form, and show how common scheduling disruptions, which lead to rescheduling, can be modeled as disturbances in the state-space model. We also discuss how a wide range of scheduling models, with different types of decisions and processing constraints, can be expressed in state-space form. The proposed framework offers a natural representation of dynamic systems, thereby enabling researchers in the chemical process control area to study scheduling problems. It also facilitates the application of known results for hybrid systems, as well as the development of new tools necessary to address scheduling applications. We hope that it will lead to the development of scheduling solution methods with desired closed-loop properties, a topic that has received no attention in the process operations literature.     

New developments and capabilities in prosyn—An automated topology and parameter process synthesizer

This paper describes an improved, equation oriented user friendly version of the modular computer package PROSYN—a mixed-integer nonlinear programming (MINLP) process synthesizer. A number of strategies are described and implemented for the outer approximation and equality relaxation algorithm (OA/ER) in order to reduce the undesirable effects of nonstructured nonconvexities in the master problem. These strategies include use of valid outer-approximations for splitters and mixers and various ways of handling the linearizations. An NLP initializer, model generator and a comprehensive library of models for basic process units and interconnection nodes, and a comprehensive library of basic physical properties have been developed and built in the PROSYN package. In this way PROSYN can be used to solve problems at different levels of complexity: from the simple NLP flowsheeting up to the MINLP synthesis through the modeling and decomposition (M/D) strategy and simultaneous heat integration including HEN costs. Applications with PROSYN are demonstrated with several example problems.     

Planning and scheduling of flexible process networks under uncertainty with stochastic inventory: MINLP models and algorithm

The tactical planning and scheduling of chemical process networks consisting of both dedicated and flexible processes under demand and supply uncertainty is addressed. To integrate the stochastic inventory control decisions with the production planning and scheduling, a mixed‐integer nonlinear programming (MINLP) model is proposed that captures the stochastic nature of the demand variations and supply delays using the guaranteed‐service approach. The model takes into account multiple tradeoffs and simultaneously determines the optimal selection of production schemes, purchase amounts of raw materials, sales of final products, production levels of processes, detailed cyclic production schedules for flexible processes, and working inventory and safety stock levels of all chemicals involved in the process network. To globally optimize the resulting nonconvex MINLP problems with modest computational times, the model properties are exploited and a tailored branch‐and‐refine algorithm based on the successive piecewise linear approximation is proposed. To handle the degeneracy of alternative optima in assignment configurations of production scheduling, three symmetry breaking cuts are further developed to accelerate the solution process. The application of the model and the performance of the proposed algorithm are illustrated through three examples with up to 25 chemicals and 16 processes including at most 8 production schemes for each flexible process. © 2012 American Institute of Chemical Engineers AIChE J, 59: 1511–1532, 2013     

Modeling and Optimization for Short-term Scheduling of Multipurpose Batch Plants

In the past two decades, short-term scheduling of multipurpose batch plants has received significant attention. Most scheduling problems are modeled using either state-task-network or resource-task-network (RTN) process representation. In this paper, an improved mixed integer linear programming model for short-term scheduling of multipurpose batch plants under maximization of profit is proposed based on RTN representation and unit-specific events. To solve the model, a hybrid algorithm based on line-up competition algorithm and linear programming is presented. The proposed model and hybrid algorithm are applied to two benchmark examples in literature. The simulation results show that the proposed model and hybrid algorithm are effective for short-term scheduling of multipurpose batch plants.     

Computational linguistics: A new tool for exploring biopolymer structures and statistical mechanics

Unlike homopolymers, biopolymers are composed of specific sequences of different types of monomers. In proteins and RNA molecules, one-dimensional sequence information encodes a three-dimensional fold, leading to a corresponding molecular function. Such folded structures are not treated adequately through traditional methods of polymer statistical mechanics. A promising new way to solve problems of the statistical mechanics of biomolecules comes from computational linguistics, the field that uses computers to parse and understand the sentences in natural languages. Here, we give two examples. First, we show that a dynamic programming method of computational linguistics gives a fast way to search protein models for native structures. Interestingly, the computational search process closely resembles the physical folding process. Second, linguistics-based dynamic programming methods are also useful for computing partition functions and densities of states for some foldable biopolymers - helix-bundle proteins are reviewed here. In these ways, computational linguistics is helping to solve problems of the searching and counting of biopolymer conformations.     

Proactive scheduling of batch processes by a combined robust optimization and multiparametric programming approach

We address short‐term batch process scheduling problems contaminated with uncertainty in the data. The mixed integer linear programming (MILP) scheduling model, based on the formulation of Ierapetritou and Floudas, Ind Eng Chem Res. 1998; 37(11):4341–4359, contains parameter dependencies at multiple locations, yielding a general multiparametric (mp) MILP problem. A proactive scheduling policy is obtained by solving the partially robust counterpart formulation. The counterpart model may remain a multiparametric problem, yet it is immunized against uncertainty in the entries of the constraint matrix and against all parameters whose values are not available at the time of decision making. We extend our previous work on the approximate solution of mp‐MILP problems by embedding different uncertainty sets (box, ellipsoidal and budget parameter regulated uncertainty), and by incorporating information about the availability of uncertain data in the construction of the partially robust scheduling model. For any parameter realization, the corresponding schedule is then obtained through function evaluation. © 2013 American Institute of Chemical Engineers AIChE J, 59: 4184–4211, 2013     

考虑需求不确定性的化工生产计划与调度集成

生产计划与调度是化工供应链优化中两个重要的决策问题。为了提高生产决策的效率,不仅要对计划与调度进行集成,而且要考虑不确定性的影响。对于多周期生产计划与调度问题,首先在每个生产周期内,分别建立计划与调度的确定性模型,通过产量关联对二者进行集成。然后考虑需求不确定性,使用有限数量的场景表达决策变量,建立二阶段随机规划模型。最后运用滚动时域求解策略,使计划与调度结果在迭代过程中达到一致。实例结果表明,在考虑需求不确定性时,与传统方法相比,随机规划方法可以降低总费用,结合计划与调度的分层集成策略,实现了生产操作性和经济性的综合优化。     

Scheduling of cracking production process with feedstocks and energy constraints

This paper addresses the short-term scheduling problem for the ethylene cracking process with feedstocks and energy constraints. The cracking production of ethylene is a process with units that have decaying performance, requiring periodic cleanup to restore their performance. Under the condition of limited feedstocks, the production operating mode of the cracking furnaces is to keep yields constant by continuously increasing the coil temperature. We present a hybrid MINLP/GDP formulation based on continuous-time representation for the scheduling problem over a finite time horizon. In order to solve the proposed model, which is reformulated as an MINLP model, an improved outer approximation algorithm with multi-generation cuts and problem-dependent integer cuts are developed to solve real large-scale problems. Numerical examples are presented to illustrate the application of the model. Based on analyzing the optimal solution and sensitivity of the model, some conclusions are obtained to provide useful suggestions for real cracking process production.     

A decision tree based decomposition method for oil refinery scheduling

Refinery scheduling attracts increasing concerns in both academic and industrial communities in recent years. However, due to the complexity of refinery processes, little has been reported for success use in real world refineries. In academic studies, refinery scheduling is usually treated as an integrated, large-scale optimization problem, though such complex optimization problems are extremely difficult to solve. In this paper, we proposed a way to exploit the prior knowledge existing in refineries, and developed a decision making system to guide the scheduling process. For a real world fuel oil oriented refinery, ten adjusting process scales are predetermined. A C4.5 decision tree works based on the finished oil demand plan to classify the corresponding category (i.e. adjusting scale). Then, a specific sub-scheduling problem with respect to the determined adjusting scale is solved. The proposed strategy is demonstrated with a scheduling case originated from a real world refinery.     

Simultaneous mixed-integer dynamic scheduling of processes and their energy systems

Increasingly volatile electricity prices make simultaneous scheduling optimization desirable for production processes and their energy systems. Simultaneous scheduling needs to account for both process dynamics and binary on/off-decisions in the energy system leading to challenging mixed-integer dynamic optimization problems. We propose an efficient scheduling formulation consisting of three parts: a linear scale-bridging model for the closed-loop process output dynamics, a data-driven model for the process energy demand, and a mixed-integer linear model for the energy system. Process dynamics is discretized by collocation yielding a mixed-integer linear programming (MILP) formulation. We apply the scheduling method to three case studies: a multiproduct reactor, a single-product reactor, and a single-product distillation column, demonstrating the applicability to multiple input multiple output processes. For the first two case studies, we can compare our approach to nonlinear optimization and capture 82% and 95% of the improvement. The MILP formulation achieves optimization runtimes sufficiently fast for real-time scheduling.     

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     

化工企业供应链长期规划与投资决策体系

提出了化工企业供应链长期规划与投资决策的基本策略.首先,基于企业运营的3类战略目标（企业利益目标、社会利益目标和顾客利益目标）,采用层次分析法建立投资决策全面评价体系.然后,根据投资决策全面评价体系,建立供应链长期规划与解瓶颈的多目标优化模型,并提出了系统可操作性指标的量化方案.最后,结合投资决策全面评价的权重体系,采用目标规划,对该多目标优化模型求解,作出优化的投资决策.以某炼油厂的扩产规划为例,进行了供应链长期规划与投资决策的实例研究.     

A novel adaptive surrogate modeling‐based algorithm for simultaneous optimization of sequential batch process scheduling and dynamic operations

A novel adaptive surrogate modeling‐based algorithm is proposed to solve the integrated scheduling and dynamic optimization problem for sequential batch processes. The integrated optimization problem is formulated as a large scale mixed‐integer nonlinear programming (MINLP) problem. To overcome the computational challenge of solving the integrated MINLP problem, an efficient solution algorithm based on the bilevel structure of the integrated problem is proposed. Because processing times and costs of each batch are the only linking variables between the scheduling and dynamic optimization problems, surrogate models based on piece‐wise linear functions are built for the dynamic optimization problems of each batch. These surrogate models are then updated adaptively, either by adding a new sampling point based on the solution of the previous iteration, or by doubling the upper bound of total processing time for the current surrogate model. The performance of the proposed method is demonstrated through the optimization of a multiproduct sequential batch process with seven units and up to five tasks. The results show that the proposed algorithm leads to a 31% higher profit than the sequential method. The proposed method also outperforms the full space simultaneous method by reducing the computational time by more than four orders of magnitude and returning a 9.59% higher profit. © 2015 American Institute of Chemical Engineers AIChE J, 61: 4191–4209, 2015     

Integrated Optimization Strategies for Dynamic Process Operations

Process systems engineering faces increasing demands and opportunities for better process modeling and optimization strategies, particularly in the area of dynamic operations. Modern optimization strategies for dynamic optimization trace their inception to the groundbreaking work Pontryagin and his coworkers, starting 60 years ago. Since then the application of large-scale non-linear programming strategies has extended their discoveries to deal with challenging real-world process optimization problems. This study discusses the evolution of dynamic optimization strategies and how they have impacted the optimal design and operation of chemical processes. We demonstrate the effectiveness of dynamic optimization on three case studies for real-world reactive processes. In the first case, we consider the optimal design of runaway reactors, where simulation models may lead to unbounded profiles for many choices of design and operating conditions. As a result, optimization based on repeated simulations typically fails, and a simultaneous, equationbased approach must be applied. Next we consider optimal operating policies for grade transitions in polymer processes. Modeled as an optimal control problem, we demonstrate how product specifications lead to multistage formulations that greatly improve process performance and reduce waste. Third, we consider an optimization strategy for the integration of scheduling and dynamic process operation for general continuous/batch processes. The method introduces a discrete time formulation for simultaneous optimization of scheduling and operating decisions. For all of these cases we provide a summary of directions and challenges for future integration of these tasks and extensions in optimization formulations and strategies.     

A general framework and optimization models for the scheduling of continuous chemical processes

We present a framework for the formulation and solution of continuous process scheduling problems. We focus on modeling transient operations such as startups, shutdowns, and transitions between steady states. First, we show how the concept of processing tasks can be generalized to represent continuous processes, including their transient operations. Second, we discuss how to systematically calculate the parameters describing material consumption/production and utility consumption during transient operations. Finally, we present new mixed-integer linear programming formulations for the scheduling of continuous chemical production.     

An integrated framework for scheduling and control using fast model predictive control

Integration of scheduling and control involves extensive information exchange and simultaneous decision making in industrial practice (Engell and Harjunkoski, Comput Chem Eng. 2012;47:121–133; Baldea and Harjunkoski I, Comput Chem Eng. 2014;71:377–390). Modeling the integration of scheduling and dynamic optimization (DO) at control level using mathematical programming results in a Mixed Integer Dynamic Optimization which is computationally expensive (Flores‐Tlacuahuac and Grossmann, Ind Eng Chem Res. 2006;45(20):6698–6712). In this study, we propose a framework for the integration of scheduling and control to reduce the model complexity and computation time. We identify a piece‐wise affine model from the first principle model and integrate it with the scheduling level leading to a new integration. At the control level, we use fast Model Predictive Control (fast MPC) to track a dynamic reference. Fast MPC also overcomes the increasing dimensionality of multiparametric MPC in our previous study (Zhuge and Ierapetritou, AIChE J. 2014;60(9):3169–3183). Results of CSTR case studies prove that the proposed approach reduces the computing time by at least two orders of magnitude compared to the integrated solution using mp‐MPC. © 2015 American Institute of Chemical Engineers AIChE J, 61: 3304–3319, 2015