Pre-design Optimization of Crude Oil Distillation Flowsheet

Several first principle models of crude oil distillation units were developed in Aspen Plus{TM} for purposes of pre-design optimization of flowsheet structure and apparatus design and choice of the optimal variant of distillation to provide the process flexibility in respect to flowrate of crude oil and oil quality. The developed models consider air temperature and type of crude oil. The two-column flowsheet of crude oil distillation is adopted as basic. The sum of the capital investments and operation costs per year was estimated for the basic flowsheet. Stepwise increasing of crude oil flowrate is used to determine "weak points" of the flowsheet and estimate maximum oil flowrate. Parametrical optimization was performed for each step. The alternative upgrading flowsheets were developed to increase operation effectiveness in a wide range of crude oil flowrates. The optimization criterion was developed to evaluate the relative efficiency of the alternative distillation unit flowsheets. The optimization criterion was a ratio of average annual revenue from the sale of petroleum products to the total costs (capital investments and operational costs) with restrictions on the product quality. The way of re-equipment of the column internals was chosen as a preferable variant

Алгоритм и программный комплекс оптимального технологического проектирования простых ректификационных колонн

Objectives. The formalized problem of the optimal design of distillation column systems belongs to the class of mixed integer nonlinear program problems. Discrete search variables are the number of trays in the rectifying and stripping sections of columns, whereas the continuous ones are the operating modes of columns. This study aimed to develop an algorithm and a software package for the optimal technological design of a system of simple distillation columns based on the criterion of total reduced capital and energy costs using rigorous mathematical distillation models.Methods. The solution to this problem is based on the branch and bound method. A computer model of the distillation column system was developed in the environment of the Aspen Hysys software package. The Inside–Out module was used as the distillation model. The developed algorithm is implemented in the software environment of the Matlab mathematical package. To solve the conditional optimization problem, a sequential quadratic programming method-based model was used. The interaction between software add-ins in Matlab and Aspen Hysys is implemented using a Component Object Model interface.Results. Approaches to obtain the lower and upper bounds of the optimality criterion and the branching method for the implementation of the branch and bound method have been developed. In addition, an algorithm for the optimal design of a distillation column of a given topology based on the branch and bound method has been developed. Furthermore, using Matlab, a software package that implements the developed algorithm and is integrated with the universal modeling software AspenHysys has been created.Conclusions. An algorithm and a software package have been developed and implemented that allows automating the design process of distillation column systems and integration with advanced mathematical programming packages, respectively. The performance of the algorithm and software package has been evaluated using the optimal design of the debutanization column as an example.Цели. Формализованная задача оптимального проектирования систем ректификационных колонн относится к классу задач дискретно-непрерывного нелинейного программирования. Дискретными поисковыми переменными являются число тарелок в укрепляющей и исчерпывающей частях колонн, а непрерывными – режимы работы колонн. Цель работы – разработать алгоритм и программный комплекс оптимального технологического проектирования системы простых тарельчатых ректификационных колонн по критерию суммарных приведенных капитальных и энергетических затрат на основе строгих математических моделей ректификации.Методы. Решение поставленной задачи базируется на методе ветвей и границ. Компьютерная модель системы ректификационных колонн построена в среде программного комплекса Aspen Hysys. В качестве модели ректификации использован модуль Inside-Out. Разработанный алгоритм реализован в программной среде математического пакета Matlab. Для решения задачи условной оптимизации использован модуль, основанный на методе последовательного квадратичного программирования. Взаимодействие программной надстройки, построенной в Matlab, c Aspen Hysys реализовано c помощью COM-интерфейса.Результаты. Разработаны подходы к получению нижних и верхних границ критерия оптимальности и способ ветвления при реализации метода ветвей и границ. Разработан алгоритм оптимального проектирования ректификационной колонны заданной топологии на основе метода ветвей и границ. В математическом пакете Matlab создан программный комплекс, реализующий предложенный алгоритм и интегрированный с универсальной моделирующей программной AspenHysys.Выводы. Разработан алгоритм и реализован программный комплекс, позволяющий автоматизировать процесс проектирования систем ректификационных колонн и интеграцию с передовыми пакетами математического программирования. Работоспособность алгоритма и программного комплекса апробирована на примере оптимального проектирования колонны дебутанизации

Logic hybrid simulation-optimization algorithm for distillation design

In this paper, we propose a novel algorithm for the rigorous design of distillation columns that integrates a process simulator in a generalized disjunctive programming formulation. The optimal distillation column, or column sequence, is obtained by selecting, for each column section, among a set of column sections with different number of theoretical trays. The selection of thermodynamic models, properties estimation etc., are all in the simulation environment. All the numerical issues related to the convergence of distillation columns (or column sections) are also maintained in the simulation environment. The model is formulated as a Generalized Disjunctive Programming (GDP) problem and solved using the logic based outer approximation algorithm without MINLP reformulation. Some examples involving from a single column to thermally coupled sequence or extractive distillation shows the performance of the new algorithm.Spanish Ministry of Science and Innovation (CTQ2012-37039-C02-02)

Synthesis and design of integrated reaction-separation systems with complex configurations and rigorous models

Chemical engineering, and specially process design, synthesis and intensification, are well positioned to support both society and industry in overcoming present global challenges of environment degradation, energy supply, water scarcity and food supply. These challenges have been translated into industrial problems that involve the design of chemical processes with decreased water and energy consumption, and improved efficiencies. In this context the present study focuses on the simultaneous synthesis and design of reaction-separation systems including complex configuration distillation columns and using rigorous models. The study is considered a further step in this research area, as previous works have usually focused on the synthesis of sub-networks and have used shortcut models. Additionally, among complex configuration, thermally coupled distillation columns are reported to present significant savings in terms of the total annualised cost of the system. Among the available approaches to synthesis and design, a superstructure optimisation approach is used. The procedure involves the construction of a superstructure that includes a reaction superstructure, taken from Ma et al. (Ma et al. 2019) and a separation superstructure, proposed by Sargent and Gaminibandara (Sargent and K. Gaminibandara 1976). The modelling is performed using generalised disjunctive programming (GDP) to produce a logic-based model. This model is then reformulated into a mixed-integer nonlinear programming (MINLP) optimisation problem, where the objective is to minimise the total annualised cost of the process. For the reformulation convex hull and bypass efficiency methods are used. A modified version of the solving strategy presented by Ma et al. (Ma et al. 2019) is used, which involves using the solver SBB in General Algebraic Modelling System (GAMS). The proposed framework is applied to a case study previously addressed by Zhang et al. (Zhang et al. 2018) and Ma et al. (Ma et al. 2019). Economic models and assumptions made in those studies are maintained in order to evaluate the benefits of including complex configuration columns in the design possibilities. Results present a flowsheet with one PFR reactor and complex configuration distillation columns that are partially thermally coupled. The total annualised cost of the process is 5.85x105 $/yr, which is 6.3% and 4.7% less than the value achieved by Zhang et al. (Zhang et al. 2018)and Ma et al., respectively. Results show that it is both possible and beneficial to consider complex configuration distillation columns, including thermally coupled ones, in the simultaneous synthesis and design of reaction-separation systems using rigorous models.Chevening AwardsAgencia Nacional de Investigación e Innovació

Synthesis and design of integrated reaction-separation systems with complex configurations and rigorous models

Chemical engineering, and specially process design, synthesis and intensification, are well positioned to support both society and industry in overcoming present global challenges of environment degradation, energy supply, water scarcity and food supply. These challenges have been translated into industrial problems that involve the design of chemical processes with decreased water and energy consumption, and improved efficiencies. In this context the present study focuses on the simultaneous synthesis and design of reaction-separation systems including complex configuration distillation columns and using rigorous models. The study is considered a further step in this research area, as previous works have usually focused on the synthesis of sub-networks and have used shortcut models. Additionally, among complex configuration, thermally coupled distillation columns are reported to present significant savings in terms of the total annualised cost of the system. Among the available approaches to synthesis and design, a superstructure optimisation approach is used. The procedure involves the construction of a superstructure that includes a reaction superstructure, taken from Ma et al. (Ma et al. 2019) and a separation superstructure, proposed by Sargent and Gaminibandara (Sargent and K. Gaminibandara 1976). The modelling is performed using generalised disjunctive programming (GDP) to produce a logic-based model. This model is then reformulated into a mixed-integer nonlinear programming (MINLP) optimisation problem, where the objective is to minimise the total annualised cost of the process. For the reformulation convex hull and bypass efficiency methods are used. A modified version of the solving strategy presented by Ma et al. (Ma et al. 2019) is used, which involves using the solver SBB in General Algebraic Modelling System (GAMS). The proposed framework is applied to a case study previously addressed by Zhang et al. (Zhang et al. 2018) and Ma et al. (Ma et al. 2019). Economic models and assumptions made in those studies are maintained in order to evaluate the benefits of including complex configuration columns in the design possibilities. Results present a flowsheet with one PFR reactor and complex configuration distillation columns that are partially thermally coupled. The total annualised cost of the process is 5.85x105 $/yr, which is 6.3% and 4.7% less than the value achieved by Zhang et al. (Zhang et al. 2018)and Ma et al., respectively. Results show that it is both possible and beneficial to consider complex configuration distillation columns, including thermally coupled ones, in the simultaneous synthesis and design of reaction-separation systems using rigorous models.Chevening AwardsAgencia Nacional de Investigación e Innovació

Rigorous design of distillation columns using surrogate models based on Kriging interpolation

The economic design of a distillation column or distillation sequences is a challenging problem that has been addressed by superstructure approaches. However, these methods have not been widely used because they lead to mixed-integer nonlinear programs that are hard to solve, and require complex initialization procedures. In this article, we propose to address this challenging problem by substituting the distillation columns by Kriging-based surrogate models generated via state of the art distillation models. We study different columns with increasing difficulty, and show that it is possible to get accurate Kriging-based surrogate models. The optimization strategy ensures that convergence to a local optimum is guaranteed for numerical noise-free models. For distillation columns (slightly noisy systems), Karush–Kuhn–Tucker optimality conditions cannot be tested directly on the actual model, but still we can guarantee a local minimum in a trust region of the surrogate model that contains the actual local minimum.The authors gratefully acknowledge the financial support of the Ministry of Economy and Competitiveness of Spain, under the project CTQ2012-37039-C02-02

Optimisation of complex distillation colomn systems using rigorous models

Since distillation is still the most widely used separation technique used in the petrochemical industry, optimisation of these unit operations are important to minimise costs and maximise production. This thesis focuses on the development of a tool using rigorous non-equilibrium distillation models to optimise complex columns. Non-equilibrium distillation models are usually avoided in optimisation studies due to the time required to solve them, but this has been overcome by using a technique called orthogonal collocation in which the profiles in the columns are represented by polynomials of a lower order than would be required normally. This significantly reduces the process times and makes the use of non-equilibrium models a possibility in optimisation studies. The orthogonal collocation technique was applied to a packed distillation column model and shown to be effective in modelling the system. A system consisting of a distillation column with integrated external side reactors was chosen as a case study to investigate the use of the methods. These systems have been shown to be effective in certain circumstances in literature, when comparing them to other forms of process intensification, such as reactive distillation. The toluene disproportionation reaction was considered as a potential use for the technology and the optimisation tool was used to find optimum system configurations for achieving maximum toluene conversions and minimum costs. Nonlinear programming techniques were used initially to optimise these systems, but due to the discontinuities associated with multiple side streams, they were replaced by a genetic algorithm. Various system configurations were identified as achieving maximum conversions and minimum costs. These results were used in a comparison with results obtained from a literature study and the results showed significant promise. Unfortunately, the two studies did not have enough in common to truly produce a comprehensive result. This iv lead to further comparisons with another system using the same information. The results obtained in the toluene disproportionation case study showed that there was some possible benefits for using the side reactor systems, but the conventional system was still 30 and 60% cheaper in terms of capital and utility costs respectively. Another case study was investigated that looked at the synthesis of methyl acetate from acetic acid and methanol. The packed collocation model was used as a comparison with another investigation performed in literature (using equilibrium distillation models). Both showed comparable results, but still had significant differences. Costs were also compared between the side reactor system and a more conventional system for methyl acetate synthesis. The side reactor systems were found to be more cost effective than the conventional system. Additionally, an increase in the number of external reactors resulted in lower utility costs (mainly as a result of lower flow rates in the side streams). Overall, the reaction and process conditions are important considerations when deciding whether or not to use a side reactor system. For the gas phase toluene disproportionation reaction, the side reactor systems were not cost effective, when compared to the conventional system. However, the liquid phase methyl acetate reaction proved to be more conducive to side reactor systems in terms of cost. This thesis has shown the applicability of using rigorous disequilibrium distillation models in optimisation studies. The side reactor systems have been found to be complex systems that require a holistic approach to find optimum configurations instead of optimising individual process units

Rigorous Design of Complex Distillation Columns Using Process Simulators and the Particle Swarm Optimization Algorithm

We present a derivative-free optimization algorithm coupled with a chemical process simulator for the optimal design of individual and complex distillation processes using a rigorous tray-by-tray model. The proposed approach serves as an alternative tool to the various models based on nonlinear programming (NLP) or mixed-integer nonlinear programming (MINLP) . This is accomplished by combining the advantages of using a commercial process simulator (Aspen Hysys), including especially suited numerical methods developed for the convergence of distillation columns, with the benefits of the particle swarm optimization (PSO) metaheuristic algorithm, which does not require gradient information and has the ability to escape from local optima. Our method inherits the superstructure developed in Yeomans, H.; Grossmann, I. E.Optimal design of complex distillation columns using rigorous tray-by-tray disjunctive programming models. Ind. Eng. Chem. Res.2000, 39 (11), 4326–4335, in which the nonexisting trays are considered as simple bypasses of liquid and vapor flows. The implemented tool provides the optimal configuration of distillation column systems, which includes continuous and discrete variables, through the minimization of the total annual cost (TAC). The robustness and flexibility of the method is proven through the successful design and synthesis of three distillation systems of increasing complexity.The authors would like to acknowledge financial support from the Spanish “Ministerio de Ciencia e Innovación” (CTQ2009-14420-C02-02 and CTQ2012-37039-C02-02)

Tools for efficient design of multicomponent separation processes

Separations account for as much as 85% of plant operating costs in chemical production; it is therefore important that they be designed with energy efficiency in mind. This can only be achieved if two things are achieved: the complete space of design options is known, and an accurate way is developed to compare all possible design options. For both membrane separation cascades and multicomponent distillation configurations, this dissertation explores methods for designing energy efficient separations.^ The operating cost of membranes used in production of nitrogen gas from air is largely driven by the compressors required to maintain a pressure differential. Optimization of the total compressor duty can reveal an ideal cascade arrangement and set of operating conditions for a given feed and recovery. With this optimization technique in hand, it is then possible to examine the effect of introducing extra stages to form intermediate stage cascades. Furthermore, the effect of varying the recovery of the nitrogen stream can be examined to discover a U-shaped relationship between recovery and energy requirement.^ Conventional distillation configurations use n – 1 distillation columns to separate a multicomponent feed mixture into pure products. Past research has identified a way to quickly and algorithmically generate the complete ranklist of regular-column configurations using an integer programming formulation called the matrix method. Using this method, a formulation is here presented for the complete nonlinear programming problem which, for a given configuration, can ensure the globally minimum vapor duty of the configuration. Furthermore, a set of nonlinear equations designed to represent the capital and operating costs of the system are described. The need for a global optimization algorithm in the formulation of the cost product is demonstrated by comparison with a two-stage search algorithm; in addition, the cost formulation is compared to that of the vapor duty formulation and the relative effect of capital and operating cost is weighed for an example feed.^ Previous methods based on Underwood\u27s equations have no accounting for the temperature at which utilities are required. To account for this, a thermodynamic efficiency function is developed which allows the complete search space to be ranklisted in order of the exergy loss occurring within the configuration. Examining these results shows that this objective function favors configurations which move their reboiler and condenser duties to milder temperature exchangers. ^ A graphical interface is presented which allows interpretation of any of the above results in a quick and intuitive fashion, complete with system flow and composition data and the ability to filter the complete search space based on numerical and structural criteria. This provides a unique way to compare and contrast configurations as well as allowing considerations like column retrofit and maximum controllability to be considered.^ Using all five of these screening techniques, the traditional intuition-based methods of separations process design can be augmented with analytical and algorithmic tools which enable selection of a process design with low cost and high efficiency