Optimal processing network design under uncertainty for producing fuels and value‐added bioproducts from microalgae: Two‐stage adaptive robust mixed integer fractional programming model and computationally efficient solution algorithm

Fractional metrics, such as return on investment (ROI), are widely used for performance evaluation, but uncertainty in the real market may unfortunately diminish the results that are based on nominal parameters. This article addresses the optimal design of a large‐scale processing network for producing a variety of algae‐based fuels and value‐added bioproducts under uncertainty. We develop by far the most comprehensive processing network with 46,704 alternative processing pathways. Based on the superstructure, a two‐stage adaptive robust mixed integer fractional programming model is proposed to tackle the uncertainty and select the robust optimal processing pathway with the highest ROI. Since the proposed problem cannot be solved directly by any off‐the‐shelf solver, we develop an efficient tailored solution method that integrates a parametric algorithm with a column‐and‐constraint generation algorithm. The resulting robust optimal processing pathway selects biodiesel and poly‐3‐hydroxybutyrate as the final fuel and bioproduct, respectively. © 2016 American Institute of Chemical Engineers AIChE J, 63: 582–600, 2017     

Nonlinear robust optimization for process design

A novel robust optimization framework is proposed to address general nonlinear problems in process design. Local linearization is taken with respect to the uncertain parameters around multiple realizations of the uncertainty, and an iterative algorithm is implemented to solve the problem. Furthermore, the proposed methodology can handle different categories of problems according to the complexity of the problems. First, inequality‐only constrained optimization problem as studied in most existing robust optimization methods can be addressed. Second, the proposed framework can deal with problems with equality constraint associated with uncertain parameters. In the final case, we investigate problems with operation variables which can be adjusted according to the realizations of uncertainty. A local affinely adjustable decision rule is adopted for the operation variables (i.e., an affine function of the uncertain parameter). Different applications corresponding to different classes of problems are used to demonstrate the effectiveness of the proposed nonlinear robust optimization framework. © 2017 American Institute of Chemical Engineers AIChE J, 64: 481–494, 2018     

Deciphering and handling uncertainty in shale gas supply chain design and optimization: Novel modeling framework and computationally efficient solution algorithm

The optimal design and operations of shale gas supply chains under uncertainty of estimated ultimate recovery (EUR) is addressed. A two‐stage stochastic mixed‐integer linear fractional programming (SMILFP) model is developed to optimize the levelized cost of energy generated from shale gas. In this model, both design and planning decisions are considered with respect to shale well drilling, shale gas production, processing, multiple end‐uses, and transportation. To reduce the model size and number of scenarios, we apply a sample average approximation method to generate scenarios based on the real‐world EUR data. In addition, a novel solution algorithm integrating the parametric approach and the L‐shaped method is proposed for solving the resulting SMILFP problem within a reasonable computational time. The proposed model and algorithm are illustrated through a case study based on the Marcellus shale play, and a deterministic model is considered for comparison. © 2015 American Institute of Chemical Engineers AIChE J, 61: 3739–3755, 2015     

Optimal PID controller tuning using stochastic programming techniques

We argue that stochastic programming provides a powerful framework to tune and analyze the performance limits of controllers. In particular, stochastic programming formulations can be used to identify controller settings that remain robust across diverse scenarios (disturbances, set‐points, and modeling errors) observed in real‐time operations. We also discuss how to use historical data and sampling techniques to construct operational scenarios and inference analysis techniques to provide statistical guarantees on limiting controller performance. Under the proposed framework, it is also possible to use risk metrics to handle extreme (rare) events and stochastic dominance concepts to conduct systematic benchmarking studies. We provide numerical studies to illustrate the concepts and to demonstrate that modern modeling and local/global optimization tools can tackle large‐scale applications. The proposed work also opens the door to data‐based controller tuning strategies that can be implemented in real‐time operations. © 2017 American Institute of Chemical Engineers AIChE J, 64: 2997–3010, 2018     

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     

Process design and control optimization: A simultaneous approach by multi‐parametric programming

We present a framework for the application of design and control optimization via multi‐parametric programming through four case studies. We develop design dependent multi‐parametric model predictive controllers that are able to provide the optimal control actions as functions of the system state and the design of the process at hand, via our recently introduced PAROC framework (Pistikopoulos et al, Chem Eng Sci. 2015;136:115–138). The process and the design dependent explicit controllers undergo a mixed integer dynamic optimization (MIDO) step for the determination of the optimal design. The result of the MIDO is the optimal design of the process under optimal operation. We demonstrate the framework through case studies of a tank, a continuously stirred tank reactor, a binary distillation column and a residential cogeneration unit. © 2017 American Institute of Chemical Engineers AIChE J, 2017     

Steady‐state process optimization with guaranteed robust stability under parametric uncertainty

Interest in chemical processes that perform well in dynamic environments has led to the development of design methodologies that account for operational aspects of processes, including flexibility, operability, and controllability. In this article, we address the problem of identifying process designs that optimize an economic objective function and are guaranteed to be stable under parametric uncertainties. The underlying mathematical problem is difficult to solve as it involves infinitely many constraints, nonconvexities and multiple local optima. We develop a methodology that embeds robust stability constraints to steady‐state process optimization formulations without any a priori bifurcation analysis. We propose a successive row and column generation algorithm to solve the resulting generalized semi‐infinite programming problem to global optimality. The proposed methodology allows modeling different levels of robustness, handles uncertainty regions without overestimating them, and works for both unique and multiple steady states. We apply the proposed approach to a number of steady‐state optimization problems and obtain the least conservative solutions that guarantee robust stability. © 2011 American Institute of Chemical Engineers AIChE J, 2011     

A new optimization model and a customized solution method for natural gas production network design and operation

This article proposes to tackle integrated design and operation of natural gas production networks under uncertainty, using a new two‐stage stochastic programming model, a novel reformulation strategy, and a customized global optimization method. The new model addresses material balances for multiple key gas components, pressure flow relationships in gas wells and pipelines, and compressor performance. This model is a large‐scale nonconvex mixed‐integer nonlinear programming problem that cannot be practically solved by existing global optimization solvers or decomposition‐based optimization methods. With the new reformulation strategy, the reformulated model has a better decomposable structure, and then a new decomposition‐based global optimization method is developed for efficient global optimization. In the case study of an industrial naturals production system, it is shown that the proposed modeling and optimization methods enable efficient solution, and the proposed optimization method is faster than a state‐of‐the‐art decomposition method by at least an order of magnitude. © 2016 American Institute of Chemical Engineers AIChE J, 63: 933–948, 2017     

Optimal experiment design for nonlinear dynamic (bio)chemical systems using sequential semidefinite programming

Optimal experiment design (OED) for parameter estimation in nonlinear dynamic (bio)chemical processes is studied in this work. To reduce the uncertainty in an experiment, a suitable measure of the Fisher information matrix or variance–covariance matrix has to be optimized. In this work, novel optimization algorithms based on sequential semidefinite programming (SDP) are proposed. The sequential SDP approach has specific advantages over sequential quadratic programming in the context of OED. First of all, it guarantees on a matrix level a decrease of the uncertainty in the parameter estimation procedure by introducing a linear matrix inequality. Second, it allows an easy formulation of E‐optimal designs in a direct optimal control optimization scheme. Finally, a third advantage of SDP is that problems involving the inverse of a matrix can be easily reformulated. The proposed techniques are illustrated in the design of experiments for a fed‐batch bioreactor and a microbial kinetics case study. © 2014 American Institute of Chemical Engineers AIChE J, 60: 1728–1739, 2014     

A branch and bound algorithm to solve large‐scale multistage stochastic programs with endogenous uncertainty

The growth in computation complexity of multistage stochastic programs (MSSPs) with problem size often prevents its application to real‐world size problems. We present two variants of branch‐and‐bound algorithm, which reduce the resource requirements for the generation and solution of large‐scale MSSPs with endogenous uncertainty. Both variants use Knapsack‐problem based Decomposition Algorithm (Christian and Cremaschi, Comput Chem Eng. 2015;74:34–47) to generate feasible solutions and primal bounds. First variant (PH‐KDA) uses a progressive hedging dual‐bounding approach; the second (OSS‐KDA) solves the MSSP removing all nonanticipativity constraints. Both variants were used to solve several instances of the pharmaceutical clinical trial planning problem. The first iteration of both algorithms provides a feasible solution, and a primal bound and a dual bound for the problem. Although the dual‐bounds of OSS‐KDA were generally weaker than PH‐KDA, they are generated considerably faster. For the seven‐product case the OSS‐KDA generated a solution with a gap of 9.92% in 115 CPU seconds. © 2017 American Institute of Chemical Engineers AIChE J, 64: 1262–1271, 2018     

Process optimization with consideration of uncertainties——An overview

Optimization under uncertainty is a challenging topic of practical importance in the Process Systems Engineering. Since the solution of an optimization problem generally exhibits high sensitivity to the parameter variations, the deterministic model which neglects the parametric uncertainties is not suitable for practical applications. This paper provides an overview of the key contributions and recent advances in the field of process optimization under uncertainty over the past ten years and discusses their advantages and limitations thoroughly. The discussion is focused on three specific research areas, namely robust optimization, stochastic programming and chance constrained programming, based on which a systematic analysis of their applications, developments and future directions are presented. It shows that the more recent trend has been to integrate different optimization methods to leverage their respective superiority and compensate for their drawbacks. Moreover, data-driven optimization, which combines mathematical programming methods and machine learning algorithms, has become an emerging and competitive tool to handle optimization problems in the presence of uncertainty based on massive historical data.     

A quadratic approximation‐based algorithm for the solution of multiparametric mixed‐integer nonlinear programming problems

An algorithm for the solution of convex multiparametric mixed‐integer nonlinear programming problems arising in process engineering problems under uncertainty is introduced. The proposed algorithm iterates between a multiparametric nonlinear programming subproblem and a mixed‐integer nonlinear programming subproblem to provide a series of parametric upper and lower bounds. The primal subproblem is formulated by fixing the integer variables and solved through a series of multiparametric quadratic programming (mp‐QP) problems based on quadratic approximations of the objective function, while the deterministic master subproblem is formulated so as to provide feasible integer solutions for the next primal subproblem. To reduce the computational effort when infeasibilities are encountered at the vertices of the critical regions (CRs) generated by the primal subproblem, a simplicial approximation approach is used to obtain CRs that are feasible at each of their vertices. The algorithm terminates when there does not exist an integer solution that is better than the one previously used by the primal problem. Through a series of examples, the proposed algorithm is compared with a multiparametric mixed‐integer outer approximation (mp‐MIOA) algorithm to demonstrate its computational advantages. © 2012 American Institute of Chemical Engineers AIChE J, 59: 483–495, 2013     

Stochastic programming models for optimal shale well development and refracturing planning under uncertainty

In this work we present an optimization framework for shale gas well development and refracturing planning. This problem is concerned with if and when a new shale gas well should be drilled at a prospective location, and whether or not it should be refractured over its lifespan. We account for exogenous gas price uncertainty and endogenous well performance uncertainty. We propose a mixed‐integer linear, two‐stage stochastic programming model embedded in a moving horizon strategy to dynamically solve the planning problem. A generalized production estimate function is described that predicts the gas production over time depending on how often a well has been refractured, and when exactly it was restimulated last. From a detailed case study, we conclude that early in the life of an active shale well, refracturing makes economic sense even in low‐price environments, whereas additional restimulations only appear to be justified if prices are high. © 2017 American Institute of Chemical Engineers AIChE J, 2017     

A computational framework and solution algorithms for two‐stage adaptive robust scheduling of batch manufacturing processes under uncertainty

A novel two‐stage adaptive robust optimization (ARO) approach to production scheduling of batch processes under uncertainty is proposed. We first reformulate the deterministic mixed‐integer linear programming model of batch scheduling into a two‐stage optimization problem. Symmetric uncertainty sets are then introduced to confine the uncertain parameters, and budgets of uncertainty are used to adjust the degree of conservatism. We then apply both the Benders decomposition algorithm and the column‐and‐constraint generation (C&CG) algorithm to efficiently solve the resulting two‐stage ARO problem, which cannot be tackled directly by any existing optimization solvers. Two case studies are considered to demonstrate the applicability of the proposed modeling framework and solution algorithms. The results show that the C&CG algorithm is more computationally efficient than the Benders decomposition algorithm, and the proposed two‐stage ARO approach returns 9% higher profits than the conventional robust optimization approach for batch scheduling. © 2015 American Institute of Chemical Engineers AIChE J, 62: 687–703, 2016     

Explicit model predictive control of hybrid systems and multiparametric mixed integer polynomial programming

Hybrid systems are dynamical systems characterized by the simultaneous presence of discrete and continuous variables. Model‐based control of such systems is computationally demanding. To this effect, explicit controllers which provide control inputs as a set of functions of the state variables have been derived, using multiparametric programming mainly for the linear systems. Hybrid polynomial systems are considered resulting in a Mixed Integer Polynomial Programming problem. Treating the initial state of the system as a set of bounded parameters, the problem is reformulated as a multiparametric Mixed Integer Polynomial optimization (mp‐MIPOPT) problem. A novel algorithm for mp‐MIPOPT problems is proposed and the exact explicit control law for polynomial hybrid systems is computed. The key idea is the computation of the analytical solution of the optimality conditions while the binary variables are treated as relaxed parameters. Finally, using symbolic calculations exact nonconvex critical regions are computed. © 2016 The Authors AIChE Journal published by Wiley Periodicals, Inc. on behalf of American Institute of Chemical Engineers AIChE J, 62: 3441–3460, 2016     

Uncertainty quantification of property models: Methodology and its application to CO2‐loaded aqueous MEA solutions

Uncertainties in property models can significantly affect the results obtained from process simulations. If these uncertainties are not quantified, optimal plant designs based on such models can be misleading. With this incentive, a systematic, generalized uncertainty quantification (UQ) methodology for property models is developed. Starting with prior beliefs about parametric uncertainties, a Bayesian method is used to derive informed posteriors using the experimental data. To reduce the computational expense, surrogate response surface models are developed. For downselecting the parameter space, a sensitivity matrix‐based approach is developed. The methodology is then deployed to the property models for an MEA‐CO₂‐H₂O system. The UQ analysis is found to provide interesting information about uncertainties in the parameter space. The sensitivity matrix approach is also found to be a valuable tool for reducing computational expense. Finally, the effect of the estimated parametric uncertainty on CO₂ absorption and monoethanolamine (MEA) regeneration is analyzed. © 2015 American Institute of Chemical Engineers AIChE J, 61: 1822–1839, 2015     

Multiobjective optimization under uncertainty of the economic and life‐cycle environmental performance of industrial processes

The combined use of multiobjective optimization and life‐cycle assessment (LCA) has recently emerged as a useful tool for minimizing the environmental impact of industrial processes. The main limitation of this approach is that it requires large amounts of data that are typically affected by several uncertainty sources. We propose herein a systematic framework to handle these uncertainties that takes advantage of recent advances made in modeling of uncertain LCA data and in optimization under uncertainty. Our strategy is based on a stochastic, multiobjective, and multiscenario mixed‐integer nonlinear programming approach in which the uncertain parameters are described via scenarios. We investigate the use of two stochastic metrics: (1) the environmental impact in the worst case and (2) the environmental downside risk. We demonstrate the capabilities of our approach through its application to a generic complex industrial network in which we consider the uncertainty of some key life‐cycle inventory parameters. © 2014 American Institute of Chemical Engineers AIChE J, 60: 2098–2121, 2014     

Optimization of large‐scale water transfer networks: Conic integer programming model and distributed parallel algorithms

The optimization of a multi‐echelon water transfer network (WTN) and the associate transportation and inventory systems with demand uncertainty is addressed in article. Optimal network structure, facility locations, operation capacities, as well as the inventory and transportation decisions can be simultaneously determined by the mixed integer nonlinear programming (MINLP) model which includes bilinear, square root and nonlinear fractional terms. By exploiting the properties of this model, we reformulate the MINLP problem as a conic integer optimization model. To overcome the memory and computing bandwidth limitations caused by the huge number of active nodes in the branch‐and‐bound search tree, novel distributed parallel optimization algorithms based on Lagrangean relaxation and message passing interface as well as their serial versions are proposed to solve the resulting conic integer programming model. A regional WTN in China is studied to demonstrate the applicability of the proposed model and the performance of the algorithms. © 2016 American Institute of Chemical Engineers AIChE J, 63: 1566–1581, 2017     

Design of multi-parametric NCO tracking controllers for linear dynamic systems

A methodology for combining multi-parametric programming and NCO tracking is presented in the case of linear dynamic systems. The resulting parametric controllers consist of (potentially nonlinear) feedback laws for tracking optimality conditions by exploiting the underlying optimal control switching structure. Compared to the classical multi-parametric MPC controller, this approach leads to a reduction in the number of critical regions. It calls for the solution of more difficult parametric optimization problems with linear differential equations embedded, whose critical regions are potentially nonconvex. Examples of constrained linear quadratic optimal control problems with parametric uncertainty are presented to illustrate the approach.     

Global optimization of large‐scale mixed‐integer linear fractional programming problems: A reformulation‐linearization method and process scheduling applications

Mixed‐integer linear fractional program (MILFP) is a class of mixed‐integer nonlinear programs (MINLP) where the objective function is the ratio of two linear functions and all constraints are linear. Global optimization of large‐scale MILFPs can be computationally intractable due to the presence of discrete variables and the pseudoconvex/pseudoconcave objective function. We propose a novel and efficient reformulation–linearization method, which integrates Charnes–Cooper transformation and Glover's linearization scheme, to transform general MILFPs into their equivalent mixed‐integer linear programs (MILP), allowing MILFPs to be globally optimized effectively with MILP methods. Extensive computational studies are performed to demonstrate the efficiency of this method. To illustrate its applications, we consider two batch scheduling problems, which are modeled as MILFPs based on the continuous‐time formulations. Computational results show that the proposed approach requires significantly shorter CPU times than various general‐purpose MINLP methods and shows similar performance than the tailored parametric algorithm for solving large‐scale MILFP problems. Specifically, it performs with respect to the CPU time roughly a half of the parametric algorithm for the scheduling applications. © 2013 American Institute of Chemical Engineers AIChE J, 59: 4255–4272, 2013