A Framework for Globally Optimizing Mixed-Integer Signomial Programs

Mixed-integer signomial optimization problems have broad applicability in engineering. Extending the Global Mixed-Integer Quadratic Optimizer, GloMIQO (Misener, Floudas in J. Glob. Optim., 2012. doi:10.1007/s10898-012-9874-7), this manuscript documents a computational framework for deterministically addressing mixed-integer signomial optimization problems to ε-global optimality. This framework generalizes the GloMIQO strategies of (1) reformulating user input, (2) detecting special mathematical structure, and (3) globally optimizing the mixed-integer nonconvex program. Novel contributions of this paper include: flattening an expression tree towards term-based data structures; introducing additional nonconvex terms to interlink expressions; integrating a dynamic implementation of the reformulation-linearization technique into the branch-and-cut tree; designing term-based underestimators that specialize relaxation strategies according to variable bounds in the current tree node. Computational results are presented along with comparison of the computational framework to several state-of-the-art solvers. © 2013 Springer Science+Business Media New York

Multivariate McCormick relaxations

McCormick (Math Prog 10(1):147–175, 1976) provides the framework for convex/concave relaxations of factorable functions, via rules for the product of functions and compositions of the form F ∘ f, where F is a univariate function. Herein, the composition theorem is generalized to allow multivariate outer functions F, and theory for the propagation of subgradients is presented. The generalization interprets the McCormick relaxation approach as a decomposition method for the auxiliary variable method. In addition to extending the framework, the new result provides a tool for the proof of relaxations of specific functions. Moreover, a direct consequence is an improved relaxation for the product of two functions, at least as tight as McCormick’s result, and often tighter. The result also allows the direct relaxation of multilinear products of functions. Furthermore, the composition result is applied to obtain improved convex underestimators for the minimum/maximum and the division of two functions for which current relaxations are often weak. These cases can be extended to allow composition of a variety of functions for which relaxations have been proposed

A MINLP Solution for Pellet Reactor Modeling

A fluidized bed reactor for phosphate precipitation and removal from wastewater is modeled according to a two-step procedure. The first modeling phase, based on the development of a thermodynamic model for the computation of phosphate conversion, previously presented elsewhere is not reported here. The second step is related to the reactor modeling in the core of this paper. The pellet reactor is modeled as a reactor network involving a set of elementary cells representing ideal flow patterns. All the potential solutions are imbedded into a superstructure and the modeling problem is expressed as a MINLP problem. The MINLP problem is solved by means of the GAMS package, first for two flow rate values corresponding to two experimental fluidized bed behaviours, and then for the two flow rates considered simultaneously. In each case, the problem consists in finding an output concentration as close as possible to the experimental output concentration. Three objective functions are studied. The results are compared with those of Montastruc et al. (2004) who used a different numerical procedure. Whatever the considered case, the solutions found are structurally simpler than the ones of Montastruc et al. (2004). A major assessment of this study is that the reactor efficiency can easily be deduced, without any precise knowledge of some key parameters such as the density and thickness of the calcium phosphate layer. Finally a last numerical study concerning the superstructure definition shows that too complex a superstructure does not provide significant refinements on the solution

Outer approximation methods for the solution of co-design optimisation problems in water distribution networks

In the present manuscript, we investigate and demonstrate the use of outer approximation methods for simultaneously optimising the placement and operation of control valves in water distribution networks. The problem definition results in a mixed-integer nonlinear program with nonconvex constraints. We simplify the formulation, compared to previous literature, in order to reduce the degree of nonlinearity in the constraints and decrease the total problem size. We then formulate the application of outer approximation based methods for the generation of good quality local optimal solutions for the considered co-design problem. Finally, we present the results of applying the developed techniques to two case studies, and also comparing the performances of the outer approximation approaches with those of other local mixed integer nonlinear programming solution methods

Continuous Biochemical Processing: Investigating Novel Strategies to Produce Sustainable Fuels and Pharmaceuticals

Biochemical processing methods have been targeted as one of the potential renewable strategies for producing commodities currently dominated by the petrochemical industry. To design biochemical systems with the ability to compete with petrochemical facilities, inroads are needed to transition from traditional batch methods to continuous methods. Recent advancements in the areas of process systems and biochemical engineering have provided the tools necessary to study and design these continuous biochemical systems to maximize productivity and substrate utilization while reducing capital and operating costs. The first goal of this thesis is to propose a novel strategy for the continuous biochemical production of pharmaceuticals. The structural complexity of most pharmaceutical compounds makes chemical synthesis a difficult option, facilitating the need for their biological production. To this end, a continuous, multi-feed bioreactor system composed of multiple independently controlled feeds for substrate(s) and media is proposed to freely manipulate the bioreactor dilution rate and substrate concentrations. The optimal feed flow rates are determined through the solution to an optimal control problem where the kinetic models describing the time-variant system states are used as constraints. This new bioreactor paradigm is exemplified through the batch and continuous cultivation of β-carotene, a representative product of the mevalonate pathway, using Saccharomyces cerevisiae strain mutant SM14. The second goal of this thesis is to design continuous, biochemical processes capable of economically producing alternative liquid fuels. The large-scale, continuous production of ethanol via consolidated bioprocessing (CBP) is examined. Optimal process topologies for the CBP technology selected from a superstructure considering multiple biomass feeds, chosen from those available across the United States, and multiple prospective pretreatment technologies. Similarly, the production of butanol via acetone-butanol-ethanol (ABE) fermentation is explored using process intensification to improve process productivity and profitability. To overcome the inhibitory nature of the butanol product, the multi-feed bioreactor paradigm developed for pharmaceutical production is utilized with in situ gas stripping to simultaneously provide dilution effects and selectively remove the volatile ABE components. Optimal control and process synthesis techniques are utilized to determine the benefits of gas stripping and design a butanol production process guaranteed to be profitable

Certificates of infeasibility via nonsmooth optimization

An important aspect in the solution process of constraint satisfaction problems is to identify exclusion boxes which are boxes that do not contain feasible points. This paper presents a certificate of infeasibility for finding such boxes by solving a linearly constrained nonsmooth optimization problem. Furthermore, the constructed certificate can be used to enlarge an exclusion box by solving a nonlinearly constrained nonsmooth optimization problem.Comment: arXiv admin note: substantial text overlap with arXiv:1506.0802

Heuristics with Performance Guarantees for the Minimum Number of Matches Problem in Heat Recovery Network Design

Heat exchanger network synthesis exploits excess heat by integrating process hot and cold streams and improves energy efficiency by reducing utility usage. Determining provably good solutions to the minimum number of matches is a bottleneck of designing a heat recovery network using the sequential method. This subproblem is an NP-hard mixed-integer linear program exhibiting combinatorial explosion in the possible hot and cold stream configurations. We explore this challenging optimization problem from a graph theoretic perspective and correlate it with other special optimization problems such as cost flow network and packing problems. In the case of a single temperature interval, we develop a new optimization formulation without problematic big-M parameters. We develop heuristic methods with performance guarantees using three approaches: (i) relaxation rounding, (ii) water filling, and (iii) greedy packing. Numerical results from a collection of 51 instances substantiate the strength of the methods

Designing optimal mixtures using generalized disjunctive programming: Hull relaxations

A general modeling framework for mixture design problems, which integrates Generalized Disjunctive Programming (GDP) into the Computer-Aided Mixture/blend Design (CAMbD) framework, was recently proposed (S. Jonuzaj, P.T. Akula, P.-M. Kleniati, C.S. Adjiman, 2016. AIChE Journal 62, 1616–1633). In this paper we derive Hull Relaxations (HR) of GDP mixture design problems as an alternative to the big-M (BM) approach presented in this earlier work. We show that in restricted mixture design problems, where the number of components is fixed and their identities and compositions are optimized, BM and HR formulations are identical. For general mixture design problems, where the optimal number of mixture components is also determined, a generic approach is employed to enable the derivation and solution of the HR formulation for problems involving functions that are not defined at zero (e.g., logarithms). The design methodology is applied successfully to two solvent design case studies: the maximization of the solubility of a drug and the separation of acetic acid from water in a liquid-liquid extraction process. Promising solvent mixtures are identified in both case studies. The HR and BM approaches are found to be effective for the formulation and solution of mixture design problems, especially via the general design problem