Advanced and novel modeling techniques for simulation, optimization and monitoring chemical engineering tasks with refinery and petrochemical unit applications

Engineers predict, optimize, and monitor processes to improve safety and profitability. Models automate these tasks and determine precise solutions. This research studies and applies advanced and novel modeling techniques to automate and aid engineering decision-making. Advancements in computational ability have improved modeling software’s ability to mimic industrial problems. Simulations are increasingly used to explore new operating regimes and design new processes. In this work, we present a methodology for creating structured mathematical models, useful tips to simplify models, and a novel repair method to improve convergence by populating quality initial conditions for the simulation’s solver. A crude oil refinery application is presented including simulation, simplification tips, and the repair strategy implementation. A crude oil scheduling problem is also presented which can be integrated with production unit models. Recently, stochastic global optimization (SGO) has shown to have success of finding global optima to complex nonlinear processes. When performing SGO on simulations, model convergence can become an issue. The computational load can be decreased by 1) simplifying the model and 2) finding a synergy between the model solver repair strategy and optimization routine by using the initial conditions formulated as points to perturb the neighborhood being searched. Here, a simplifying technique to merging the crude oil scheduling problem and the vertically integrated online refinery production optimization is demonstrated. To optimize the refinery production a stochastic global optimization technique is employed. Process monitoring has been vastly enhanced through a data-driven modeling technique Principle Component Analysis. As opposed to first-principle models, which make assumptions about the structure of the model describing the process, data-driven techniques make no assumptions about the underlying relationships. Data-driven techniques search for a projection that displays data into a space easier to analyze. Feature extraction techniques, commonly dimensionality reduction techniques, have been explored fervidly to better capture nonlinear relationships. These techniques can extend data-driven modeling’s process-monitoring use to nonlinear processes. Here, we employ a novel nonlinear process-monitoring scheme, which utilizes Self-Organizing Maps. The novel techniques and implementation methodology are applied and implemented to a publically studied Tennessee Eastman Process and an industrial polymerization unit

Product of Conjugacy Classes of the Alternating Group An

For a nonempty subset X of a group G and a positive integer m , the product of X , denoted by Xm ,is the set Xm = That is , Xm is the subset of G formed by considering all possible ordered products of m elements form X. In the symmetric group Sn, the class Cn (n odd positive integer) split into two conjugacy classes in An denoted Cn+ and Cn- . C+ and C- were used for these two parts of Cn. This work we prove that for some odd n ,the class C of 5- cycle in Sn has the property that = An n 7 and C+ has the property that each element of C+ is conjugate to its inverse, the square of each element of it is the element of C-, these results were used to prove that C+ C- = An exceptional of I (I the identity conjugacy class), when n=5+4k , k>=0

Optimization for Decision Making II

In the current context of the electronic governance of society, both administrations and citizens are demanding the greater participation of all the actors involved in the decision-making process relative to the governance of society. This book presents collective works published in the recent Special Issue (SI) entitled “Optimization for Decision Making II”. These works give an appropriate response to the new challenges raised, the decision-making process can be done by applying different methods and tools, as well as using different objectives. In real-life problems, the formulation of decision-making problems and the application of optimization techniques to support decisions are particularly complex and a wide range of optimization techniques and methodologies are used to minimize risks, improve quality in making decisions or, in general, to solve problems. In addition, a sensitivity or robustness analysis should be done to validate/analyze the influence of uncertainty regarding decision-making. This book brings together a collection of inter-/multi-disciplinary works applied to the optimization of decision making in a coherent manner

Metaheuristics for NP-hard combinatorial optimization problems

Ph.DDOCTOR OF PHILOSOPH

Variable neighborhood search for the multi-level capacitated lotsizing problem

Das dynamische mehrstufige kapazitierte Losgrößenproblem (MLCLSP) behandelt im Rahmen der Produktionsplanung die wichtige Entscheidung über die optimalen Losgrößen, angefangen bei Endprodukten über Komponenten bis hin zu Rohstoffen, bei gleichzeitiger Berücksichtigung beschränkter Kapazitäten der zur Produktion benötigten Ressourcen. Da es sich um ein NP-schweres Problem handelt, stoßen exakte Lösungsverfahren an ihre Grenzen, sobald die Problemdimensionen ein größeres – man könnte durchaus sagen realistisches – Ausmaß erreichen. In der Praxis dominieren deshalb Methoden, die die Losgrößen der einzelnen Produkte sequenziell festlegen und überdies etwaige Kapazitätsbeschränkungen im Nachhinein, falls überhaupt, berücksichtigen. In der Literatur finden sich zahlreiche approximative Ansätze zur Lösung dieses komplexen betriebswirtschaftlichen Problems. Lokale Suche und auf ihr basierende Metaheuristiken stellen vielversprechende Werkzeuge dar, um die Defizite der aktuell eingesetzten Trial-and-Error Ansätze zu beheben und letzten Endes zulässige sowie kostenoptimale Produktionspläne zu erstellen. Die in dieser Diplomarbeit vorgestellte Studie beschäftigt sich mit lokalen Suchverfahren für das MLCLSP. Acht Nachbarschaftsstrukturen, die sich aus einer Veränderung der Rüstvariablen ergeben, werden präsentiert und evaluiert. Grundlegende Optionen bei der Gestaltung eines iterativen Verbesserungsverfahrens, wie beispielsweise unterschiedliche Schrittfunktionen oder die temporäre Berücksichtigung unzulässiger Lösungen, werden getestet und verglichen. Obwohl nur die Switch Nachbarschaft, die durch das Ändern einer einzigen Rüstvariable definiert wird, wirklich überzeugende Resultate liefert, können die übrigen Nachbarschaftsstrukturen durchaus als Perturbationsmechanismen im Rahmen einer Variablen Nachbarschaftssuche (VNS) zum Einsatz kommen. Die Implementierung dieser Metaheuristik, geprägt von den Ergebnissen der einfachen lokalen Suchverfahren, kann allerdings nicht vollkommen überzeugen. Die entwickelte VNS Variante kann die Lösungsgüte anderer zum Vergleich herangezogener Lösungsverfahren nicht erreichen und benötigt relativ lange Laufzeiten. Andererseits sind die Ergebnisse mit einer durchschnittlichen Abweichung zur besten bekannten Lösung von etwa vier Prozent über sämtliche untersuchte Problemklassen weit entfernt von einem Totalversagen. Es überwiegt der Eindruck, dass es sich um eine robuste Methode handelt, die in der Lage ist, Lösungen von hoher, teils sehr hoher Qualität nicht nur in Ausnahmefällen zu liefern. Etwaige Nachjustierungen könnten das Verfahren durchaus zu einem ernstzunehmenden Konkurrenten für bereits existierende Lösungsmethoden für das MLCLSP machen.The Multi-Level Capacitated Lotsizing Problem (MLCLSP) depicts the important decision in production planning of determining adequate lot sizes from final products onward, to subassemblies, parts and raw materials, all the while assuming limited capacities of the resources employed for manufacture. It is an NP-hard problem where exact methods fail in solving larger – one could say realistic – problem instances. Sequential approaches that tackle the problem item by item and postpone capacity considerations dominate current practice; approximate solution methods abound throughout the literature. Local search and metaheuristics based on it constitute a class of approximate methods well-equipped to take on the challenge of eventually replacing the trial-and-error process that impedes manufacturing companies in establishing feasible and cost-minimal production plans. This thesis presents a study of local search based procedures for solving the MLCLSP. Eight different neighborhood structures, resulting from manipulations of the setup variables, are devised and evaluated. Fundamental options when designing an iterative improvement algorithm, such as best-improvement versus first-improvement step functions or the inclusion of infeasible solutions during the search are explored and compared. Although only the Switch move, which alters the value of a single setup value, is convincing as a stand-alone neighborhood structure, the other neighborhoods can in any case be employed for the perturbation of solutions during the shaking step of a Variable Neighborhood Search (VNS). The implementation of this metaheuristic, shaped by the findings from testing the basic local search variants, led to mixed results. The procedure designed to tackle the MLCLSP cannot outperform the compared heuristics. Neither does it produce results that are terribly off – the average gap to the best known solutions settles around four percent over all problem classes tested. Nonetheless, the impression is supported that the VNS procedure is a robust method leading to good, sometimes even very good solutions at a regular basis that is amenable to further adjustments and thus eventually becoming a serious competitor for existing methods dealing with multi-level capacitated lotsizing decisions

Distance-constrained vehicle routing problem: exact and approximate solution (mathematical programming)

This thesis was submitted for the degree of Doctor of Philosophy and awarded by Brunel University.The asymmetric distance-constrained vehicle routing problem (ADVRP) looks at finding vehicle tours to connect all customers with a depot, such that the total distance is minimised; each customer is visited once by one vehicle; every tour starts and ends at a depot; and the travelled distance by each vehicle is less than or equal to the given maximum value. We present three basic results in this thesis. In the first one, we present a general flow-based formulation to ADVRP. It is suitable for symmetric and asymmetric instances. It has been compared with the adapted Bus School Routing formulation and appears to solve the ADVRP faster. Comparisons are performed on random test instances with up to 200 customers. We reach a conclusion that our general formulation outperforms the adapted one. Moreover, it finds the optimal solution for small test instances quickly. For large instances, there is a high probability that an optimal solution can be found or at least improve upon the value of the best feasible solution found so far, compared to the other formulation which stops because of the time condition. This formulation is more general than Kara formulation since it does not require the distance matrix to satisfy the triangle inequality. The second result improves and modifies an old branch-and-bound method suggested by Laporte et al. in 1987. It is based on reformulating a distance-constrained vehicle routing problem into a travelling salesman problem and uses the assignment problem as a lower bounding procedure. In addition, its algorithm uses the best-first strategy and new branching rules. Since this method was fast but memory consuming, it would stop before optimality is proven. Therefore, we introduce randomness in choosing the node of the search tree in case we have more than one choice (usually we choose the smallest objective function). If an optimal solution is not found, then restart is required due to memory issues, so we restart our procedure. In that way, we get a multistart branch and bound method. Computational experiments show that we are able to exactly solve large test instances with up to 1000 customers. As far as we know, those instances are much larger than instances considered for other VRP models and exact solution approaches from recent literature. So, despite its simplicity, this proposed algorithm is capable of solving the largest instances ever solved in literature. Moreover, this approach is general and may be used in solving other types of vehicle routing problems. In the third result, we use VNS as a heuristic to find the best feasible solution for groups of instances. We wanted to determine how far the difference is between the best feasible solution obtained by VNS and the value of optimal solution in order to use the output of VNS as an initial feasible solution (upper bound procedure) to improve our multistart method. Unfortunately, based on the search strategy (best first search), using a heuristic to find an initial feasible solution is not useful. The reason for this is because the branch and bound is able to find the first feasible solution quickly. In other words, in our method using a good initial feasible solution as an upper bound will not increase the speed of the search. However, this would be different for the depth first search. However, we found a big gap between VNS feasible solution and an optimal solution, so VNS can not be used alone unless for large test instances when other exact methods are not able to find any feasible solution because of memory or stopping conditions

A Group Theoretic Tabu Search Methodology for Solving the Theater Distribution Vehicle Routing and Scheduling Problem

The application of Group Theory to Tabu Search is a new and exciting field of research. This dissertation applies and extends some of Colletti\u27s (1999) seminal work in group theory and metaheuristics in order to solve the theater distribution vehicle routing and scheduling problem (TDVRSP). This research produced a robust, efficient, effective and flexible generalized theater distribution model that prescribes the routing and scheduling of multi-modal theater transportation assets to provide economically efficient time definite delivery of cargo to customers. In doing so, advances are provided in the field of group theoretic tabu search and its application to difficult combinatorial optimization problems, e.g., the multiple trip multiple services vehicle routing and scheduling problem with hubs and other defining constraints

Generalized Lorenz-Mie theory : application to scattering and resonances of photonic complexes

Les structures photoniques complexes permettent de façonner la propagation lumineuse à l’échelle de la longueur d’onde au moyen de processus de diffusion et d’interférence. Cette fonctionnalité à l’échelle nanoscopique ouvre la voie à de multiples applications, allant des communications optiques aux biosenseurs. Cette thèse porte principalement sur la modélisation numérique de structures photoniques complexes constituées d’arrangements bidimensionnels de cylindres diélectriques. Deux applications sont privilégiées, soit la conception de dispositifs basés sur des cristaux photoniques pour la manipulation de faisceaux, de même que la réalisation de sources lasers compactes basées sur des molécules photoniques. Ces structures optiques peuvent être analysées au moyen de la théorie de Lorenz-Mie généralisée, une méthode numérique permettant d’exploiter la symétrie cylindrique des diffuseurs sous-jacents. Cette dissertation débute par une description de la théorie de Lorenz-Mie généralisée, obtenue des équations de Maxwell de l’électromagnétisme. D’autres outils théoriques utiles sont également présentés, soit une nouvelle formulation des équations de Maxwell-Bloch pour la modélisation de milieux actifs appelée SALT (steady state ab initio laser theory). Une description sommaire des algorithmes d’optimisation dits métaheuristiques conclut le matériel introductif de la thèse. Nous présentons ensuite la conception et l’optimisation de dispositifs intégrés permettant la génération de faisceaux d’amplitude, de phase et de degré de polarisation contrôlés. Le problème d’optimisation combinatoire associé est solutionné numériquement au moyen de deux métaheuristiques, l’algorithme génétique et la recherche tabou. Une étude théorique des propriétés de micro-lasers basés sur des molécules photoniques – constituées d’un arrangement simple de cylindres actifs – est finalement présentée. En combinant la théorie de Lorenz-Mie et SALT, nous démontrons que les propriétés physiques de ces lasers, plus spécifiquement leur seuil, leur spectre et leur profil d’émission, peuvent être affectés de façon nontriviale par les paramètres du milieu actif sous-jacent. Cette conclusion est hors d’atteinte de l’approche établie qui consiste à calculer les étatsméta-stables de l’équation de Helmholtz et leur facteur de qualité. Une perspective sur la modélisation de milieux photoniques désordonnés conclut cette dissertation.Complex photonic media mold the flow of light at the wavelength scale using multiple scattering and interference effects. This functionality at the nano-scale level paves the way for various applications, ranging from optical communications to biosensing. This thesis is mainly concerned with the numerical modeling of photonic complexes based on twodimensional arrays of cylindrical scatterers. Two applications are considered, namely the use of photonic-crystal-like devices for the design of integrated beam shaping elements, as well as active photonic molecules for the realization of compact laser sources. These photonic structures can be readily analyzed using the 2D Generalized Lorenz-Mie theory (2D-GLMT), a numerical scheme which exploits the symmetry of the underlying cylindrical structures. We begin this thesis by presenting the electromagnetic theory behind 2D-GLMT.Other useful frameworks are also presented, including a recently formulated stationary version of theMaxwell-Bloch equations called steady-state ab initio laser theory (SALT).Metaheuristics, optimization algorithms based on empirical rules for exploring large solution spaces, are also discussed. After laying down the theoretical content, we proceed to the design and optimization of beam shaping devices based on engineered photonic-crystal-like structures. The combinatorial optimization problem associated to beam shaping is tackled using the genetic algorithm (GA) as well as tabu search (TS). Our results show the possibility to design integrated beam shapers tailored for the control of the amplitude, phase and polarization profile of the output beam. A theoretical and numerical study of the lasing characteristics of photonic molecules – composed of a few coupled optically active cylinders – is also presented. Using a combination of 2D-GLMT and SALT, it is shown that the physical properties of photonic molecule lasers, specifically their threshold, spectrum and emission profile, can be significantly affected by the underlying gain medium parameters. These findings are out of reach of the established approach of computing the meta-stable states of the Helmholtz equation and their quality factor. This dissertation is concluded with a research outlook concerning themodeling of disordered photonicmedia