Scheduling refinery operation promises a big cut in logistics cost, maximizes efficiency, organizes allocation of material and resources, and ensures that production meets targets set by planning team. Obtaining accurate and reliable schedules for execution in refinery plants under different scenarios has been a serious challenge. This research was undertaken with the aim to develop robust methodologies and solution procedures to address refinery scheduling problems with uncertainties in process parameters. The research goal was achieved by first developing a methodology for short-term crude oil unloading and transfer, as an extension to a scheduling model reported by Lee et al. (1996). The extended model considers real life technical issues not captured in the original model and has shown to be more reliable through case studies. Uncertainties due to disruptive events and low inventory at the end of scheduling horizon were addressed. With the extended model, crude oil scheduling problem was formulated under receding horizon control framework to address demand uncertainty. This work proposed a strategy called fixed end horizon whose efficiency in terms of performance was investigated and found out to be better in comparison with an existing approach. In the main refinery production area, a novel scheduling model was developed. A large scale refinery problem was used as a case study to test the model with scheduling horizon discretized into a number of time periods of variable length. An equivalent formulation with equal interval lengths was also presented and compared with the variable length formulation. The results obtained clearly show the advantage of using variable timing. A methodology under self-optimizing control (SOC) framework was then developed to address uncertainty in problems involving mixed integer formulation. Through case study and scenarios, the approach has proven to be efficient in dealing with uncertainty in crude oil composition.

Scheduling refinery operation promises a big cut in logistics cost, maximizes efficiency, organizes allocation of material and resources, and ensures that production meets targets set by planning team. Obtaining accurate and reliable schedules for execution in refinery plants under different scenarios has been a serious challenge. This research was undertaken with the aim to develop robust methodologies and solution procedures to address refinery scheduling problems with uncertainties in process parameters. The research goal was achieved by first developing a methodology for short-term crude oil unloading and transfer, as an extension to a scheduling model reported by Lee et al. (1996). The extended model considers real life technical issues not captured in the original model and has shown to be more reliable through case studies. Uncertainties due to disruptive events and low inventory at the end of scheduling horizon were addressed. With the extended model, crude oil scheduling problem was formulated under receding horizon control framework to address demand uncertainty. This work proposed a strategy called fixed end horizon whose efficiency in terms of performance was investigated and found out to be better in comparison with an existing approach. In the main refinery production area, a novel scheduling model was developed. A large scale refinery problem was used as a case study to test the model with scheduling horizon discretized into a number of time periods of variable length. An equivalent formulation with equal interval lengths was also presented and compared with the variable length formulation. The results obtained clearly show the advantage of using variable timing. A methodology under self-optimizing control (SOC) framework was then developed to address uncertainty in problems involving mixed integer formulation. Through case study and scenarios, the approach has proven to be efficient in dealing with uncertainty in crude oil composition.

The advances in computing and communication technologies and software tools have resulted in an explosive growth in networked applications and information services that cover all aspects of our life. These services and applications are inherently complex, dynamic and heterogeneous. In a similar way, the underlying information infrastructure, e.g. the Internet, is large, complex, heterogeneous and dynamic, globally aggregating large numbers of independent computing and communication resources. The combination of the two results in application development and management complexities that break current computing paradigms, which are based on static behaviors. As a result, applications, programming environments and information infrastructures are rapidly becoming fragile, unmanageable and insecure. This has led researchers to consider alternative programming paradigms and management techniques that are based on strategies used by biological systems. Autonomic programming paradigm is inspired by the human autonomic nervous system that handles complexity, uncertainties and abnormality. The overarching goal of the autonomic programming paradigm is to help building systems and applications capable of self-management. Firstly, we investigated the large-scale scientific computing applications which generally experience different execution phases at run time and each phase has different computational, communication and storage requirements as well as different physical characteristics. In this dissertation, we present Physics Aware Optimization (PAO) paradigm that enables programmers to identify the appropriate solution methods to exploit the heterogeneity and the dynamism of the application execution states. We implement a Physics Aware Optimization Manager to exploit the PAO paradigm. On the other hand we present a self configuration paradigm based on the principles of autonomic computing that can handle efficiently complexity, dynamism and uncertainty in configuring server and networked systems and their applications. Our approach is based on making any resource/application to operate as an Autonomic Component (that means it can be self-managed component) by using our autonomic programming paradigm. Our POA technique for medical application yielded about 3X improvement of performance with 98.3% simulation accuracy compared to traditional techniques for performance optimization. Also, our Self-configuration management for power and performance management in GPU cluster demonstrated 53.7% power savings for CUDAworkload while maintaining the cluster performance within given acceptable thresholds.

A otimização de processos vem se tornando uma ferramenta fundamental para o aumento da lucratividade das plantas químicas. Diversos métodos de otimização foram propostos ao longo dos anos, sendo que a otimização em tempo real (RTO) é a solução mais consolidada industrialmente, enquanto que o self-optimizing control (SOC) surge como uma alternativa simplificada, com um menor custo de implantação em relação a esse. Neste trabalho são estudados diversos aspectos da metodologia de SOC, iniciando pela análise do impacto do ponto de operação para o desenvolvimento de estruturas de controle auto-otimizáveis. São propostas modificações na formulação do problema de otimização de SOC de modo que as variáveis controladas sejam determinadas no mesmo problema de otimização em que é escolhido o ponto de operação, permitindo a redução da perda do processo. De forma a analisar a influência da dinâmica nos resultados obtidos, é realizado um estudo comparativo da perda gerada no processo ao longo da operação para as estruturas de otimização baseadas em RTO e em SOC. Com base nos resultados obtidos para uma unidade didática, mostra-se que o comportamento dinâmico do distúrbio possui grande influência na escolha da técnica de otimização, quebrando a ideia de que o RTO é um limite superior do SOC. A aplicação industrial das técnicas clássicas de SOC é validada em uma unidade de separação de propeno, baseada em uma unidade real em operação. A partir da modelagem do processo em simulador comercial, foram geradas as variáveis controladas que permitam uma perda aceitável para a unidade, comprovando a viabilidade de implantação da metodologia em unidades reais. / Process optimization has become a fundamental tool for increasing chemical plants profit. Several optimization methods have been proposed over the years, and real-time optimization (RTO) is the most consolidated solution industrially while self-optimizing control (SOC) appears as a simplified alternative with a lower implementation cost. In this work several aspects of SOC methodology are studied, starting from the analysis of the impact of operating point in the development of self-optimizing control structures. Improvements are proposed in SOC optimization problem formulation where controlled variables are determined in the same optimization problem that operating point, thus reducing significantly process loss. In order to analyze the influence of dynamics on the results, a comparative study is accomplished comparing the loss generated in the process throughout the operation for optimization structures based on RTO and SOC. With the results generated for a toy unit, it is shown that the disturbance dynamic behavior has a great influence on choosing the optimization technique, breaking the idea that RTO is an upper limit of SOC. The industrial application of classical SOC techniques is tested on a propylene separation unit, really operating nowadays. The process was modelled in a commercial simulator and with this model it was generated the best set of controlled variables, based on SOC, that achieve an acceptable loss for the unit, showing that the methodology can be applied in in real units.

A otimização de processos vem se tornando uma ferramenta fundamental para o aumento da lucratividade das plantas químicas. Diversos métodos de otimização foram propostos ao longo dos anos, sendo que a otimização em tempo real (RTO) é a solução mais consolidada industrialmente, enquanto que o self-optimizing control (SOC) surge como uma alternativa simplificada, com um menor custo de implantação em relação a esse. Neste trabalho são estudados diversos aspectos da metodologia de SOC, iniciando pela análise do impacto do ponto de operação para o desenvolvimento de estruturas de controle auto-otimizáveis. São propostas modificações na formulação do problema de otimização de SOC de modo que as variáveis controladas sejam determinadas no mesmo problema de otimização em que é escolhido o ponto de operação, permitindo a redução da perda do processo. De forma a analisar a influência da dinâmica nos resultados obtidos, é realizado um estudo comparativo da perda gerada no processo ao longo da operação para as estruturas de otimização baseadas em RTO e em SOC. Com base nos resultados obtidos para uma unidade didática, mostra-se que o comportamento dinâmico do distúrbio possui grande influência na escolha da técnica de otimização, quebrando a ideia de que o RTO é um limite superior do SOC. A aplicação industrial das técnicas clássicas de SOC é validada em uma unidade de separação de propeno, baseada em uma unidade real em operação. A partir da modelagem do processo em simulador comercial, foram geradas as variáveis controladas que permitam uma perda aceitável para a unidade, comprovando a viabilidade de implantação da metodologia em unidades reais. / Process optimization has become a fundamental tool for increasing chemical plants profit. Several optimization methods have been proposed over the years, and real-time optimization (RTO) is the most consolidated solution industrially while self-optimizing control (SOC) appears as a simplified alternative with a lower implementation cost. In this work several aspects of SOC methodology are studied, starting from the analysis of the impact of operating point in the development of self-optimizing control structures. Improvements are proposed in SOC optimization problem formulation where controlled variables are determined in the same optimization problem that operating point, thus reducing significantly process loss. In order to analyze the influence of dynamics on the results, a comparative study is accomplished comparing the loss generated in the process throughout the operation for optimization structures based on RTO and SOC. With the results generated for a toy unit, it is shown that the disturbance dynamic behavior has a great influence on choosing the optimization technique, breaking the idea that RTO is an upper limit of SOC. The industrial application of classical SOC techniques is tested on a propylene separation unit, really operating nowadays. The process was modelled in a commercial simulator and with this model it was generated the best set of controlled variables, based on SOC, that achieve an acceptable loss for the unit, showing that the methodology can be applied in in real units.

A otimização de processos vem se tornando uma ferramenta fundamental para o aumento da lucratividade das plantas químicas. Diversos métodos de otimização foram propostos ao longo dos anos, sendo que a otimização em tempo real (RTO) é a solução mais consolidada industrialmente, enquanto que o self-optimizing control (SOC) surge como uma alternativa simplificada, com um menor custo de implantação em relação a esse. Neste trabalho são estudados diversos aspectos da metodologia de SOC, iniciando pela análise do impacto do ponto de operação para o desenvolvimento de estruturas de controle auto-otimizáveis. São propostas modificações na formulação do problema de otimização de SOC de modo que as variáveis controladas sejam determinadas no mesmo problema de otimização em que é escolhido o ponto de operação, permitindo a redução da perda do processo. De forma a analisar a influência da dinâmica nos resultados obtidos, é realizado um estudo comparativo da perda gerada no processo ao longo da operação para as estruturas de otimização baseadas em RTO e em SOC. Com base nos resultados obtidos para uma unidade didática, mostra-se que o comportamento dinâmico do distúrbio possui grande influência na escolha da técnica de otimização, quebrando a ideia de que o RTO é um limite superior do SOC. A aplicação industrial das técnicas clássicas de SOC é validada em uma unidade de separação de propeno, baseada em uma unidade real em operação. A partir da modelagem do processo em simulador comercial, foram geradas as variáveis controladas que permitam uma perda aceitável para a unidade, comprovando a viabilidade de implantação da metodologia em unidades reais. / Process optimization has become a fundamental tool for increasing chemical plants profit. Several optimization methods have been proposed over the years, and real-time optimization (RTO) is the most consolidated solution industrially while self-optimizing control (SOC) appears as a simplified alternative with a lower implementation cost. In this work several aspects of SOC methodology are studied, starting from the analysis of the impact of operating point in the development of self-optimizing control structures. Improvements are proposed in SOC optimization problem formulation where controlled variables are determined in the same optimization problem that operating point, thus reducing significantly process loss. In order to analyze the influence of dynamics on the results, a comparative study is accomplished comparing the loss generated in the process throughout the operation for optimization structures based on RTO and SOC. With the results generated for a toy unit, it is shown that the disturbance dynamic behavior has a great influence on choosing the optimization technique, breaking the idea that RTO is an upper limit of SOC. The industrial application of classical SOC techniques is tested on a propylene separation unit, really operating nowadays. The process was modelled in a commercial simulator and with this model it was generated the best set of controlled variables, based on SOC, that achieve an acceptable loss for the unit, showing that the methodology can be applied in in real units.

Heat exchanger networks (HENs) are the backbone of heat integration due to their ability in energy and environmental managements. This thesis deals with two issues on HENs. The first concerns with designing of economically optimal Heat exchanger network (HEN) whereas the second focus on optimal operation of HEN in the presence of uncertainties and disturbances within the network. In the first issue, a pinch technology based optimal HEN design is firstly implemented on a 3–streams heat recovery case study to design a simple HEN and then, a more complex HEN is designed for a coal-fired power plant retrofitted with CO2 capture unit to achieve the objectives of minimising energy penalty on the power plant due to its integration with the CO2 capture plant. The benchmark in this case study is a stream data from (Khalilpour and Abbas, 2011). Improvement to their work includes: (1) the use of economic data to evaluate achievable trade-offs between energy, capital and utility cost for determination of minimum temperature difference; (2) redesigning of the HEN based on the new minimum temperature difference and (3) its comparison with the base case design. The results shows that the energy burden imposed on the power plant with CO2 capture is significantly reduced through HEN leading to utility cost saving maximisation. The cost of addition of HEN is recoverable within a short payback period of about 2.8 years. In the second issue, optimal HEN operation considering range of uncertainties and disturbances in flowrates and inlet stream temperatures while minimizing utility consumption at constant target temperatures based on self-optimizing control (SOC) strategy. The new SOC method developed in this thesis is a data-driven SOC method which uses process data collected overtime during plant operation to select control variables (CVs). This is in contrast to the existing SOC strategies in which the CV selection requires process model to be linearized for nonlinear processes which leads to unaccounted losses due to linearization errors. The new approach selects CVs in which the necessary condition of optimality (NCO) is directly approximated by the CV through a single regression step. This work was inspired by Ye et al., (2013) regression based globally optimal CV selection with no model linearization and Ye et al., (2012) two steps regression based data-driven CV selection but with poor optimal results due to regression errors in the two steps procedures. The advantage of this work is that it doesn’t require evaluation of derivatives hence CVs can be evaluated even with commercial simulators such as HYSYS and UNISIM from among others. The effectiveness of the proposed method is again applied to the 3-streams HEN case study and also the HEN for coal-fired power plant with CO2 capture unit. The case studies show that the proposed methodology provides better optimal operation under uncertainties when compared to the existing model-based SOC techniques.

Waterflooding is a common type of oil recovery techniques where water is pumped into the reservoir for increased productivity. Reservoir states change with time, as such, different injection and production settings will be required to lead the process to optimal operation which is actually a dynamic optimization problem. This could be solved through optimal control techniques which traditionally can only provide an open-loop solution. However, this solution is not appropriate for reservoir production due to numerous uncertain properties involved. Models that are updated through the current industrial practice of ‘history matching’ may fail to predict reality correctly and therefore, solutions based on history-matched models may be suboptimal or non-optimal at all. Due to its ability in counteracting the effects uncertainties, direct feedback control has been proposed recently for optimal waterflooding operations. In this work, two feedback approaches were developed for waterflooding process optimization. The first approach is based on the principle of receding horizon control (RHC) while the second is a new dynamic optimization method developed from the technique of self-optimizing control (SOC). For the SOC methodology, appropriate controlled variables (CVs) as combinations of measurement histories and manipulated variables are first derived through regression based on simulation data obtained from a nominal model. Then the optimal feedback control law was represented as a linear function of measurement histories from the CVs obtained. Based on simulation studies, the RHC approach was found to be very sensitive to uncertainties when the nominal model differed significantly from the conceived real reservoir. The SOC methodology on the other hand, was shown to achieve an operational profit with only 2% worse than the true optimal control, but 30% better than the open-loop optimal control under the same uncertainties. The simplicity of the developed SOC approach coupled with its robustness to handle uncertainties proved its potentials to real industrial applications.

The increasing economic competition drives the industry to implement tools that improve their processes efficiencies. The process automation is one of these tools, and the Real Time Optimization (RTO) is an automation methodology that considers economic aspects to update the process control in accordance with market prices and disturbances. Basically, RTO uses a steady-state phenomenological model to predict the process behavior, and then, optimizes an economic objective function subject to this model. Although largely implemented in industry, there is not a general agreement about the benefits of implementing RTO due to some limitations discussed in the present work: structural plant/model mismatch, identifiability issues and low frequency of set points update. Some alternative RTO approaches have been proposed in literature to handle the problem of structural plant/model mismatch. However, there is not a sensible comparison evaluating the scope and limitations of these RTO approaches under different aspects. For this reason, the classical two-step method is compared to more recently derivative-based methods (Modifier Adaptation, Integrated System Optimization and Parameter estimation, and Sufficient Conditions of Feasibility and Optimality) using a Monte Carlo methodology. The results of this comparison show that the classical RTO method is consistent, providing a model flexible enough to represent the process topology, a parameter estimation method appropriate to handle measurement noise characteristics and a method to improve the sample information quality. At each iteration, the RTO methodology updates some key parameter of the model, where it is possible to observe identifiability issues caused by lack of measurements and measurement noise, resulting in bad prediction ability. Therefore, four different parameter estimation approaches (Rotational Discrimination, Automatic Selection and Parameter estimation, Reparametrization via Differential Geometry and classical nonlinear Least Square) are evaluated with respect to their prediction accuracy, robustness and speed. The results show that the Rotational Discrimination method is the most suitable to be implemented in a RTO framework, since it requires less a priori information, it is simple to be implemented and avoid the overfitting caused by the Least Square method. The third RTO drawback discussed in the present thesis is the low frequency of set points update, this problem increases the period in which the process operates at suboptimum conditions. An alternative to handle this problem is proposed in this thesis, by integrating the classic RTO and Self-Optimizing control (SOC) using a new Model Predictive Control strategy. The new approach demonstrates that it is possible to reduce the problem of low frequency of set points updates, improving the economic performance. Finally, the practical aspects of the RTO implementation are carried out in an industrial case study, a Vapor Recompression Distillation (VRD) process located in Paulínea refinery from Petrobras. The conclusions of this study suggest that the model parameters are successfully estimated by the Rotational Discrimination method; the RTO is able to improve the process profit in about 3%, equivalent to 2 million dollars per year; and the integration of SOC and RTO may be an interesting control alternative for the VRD process. / O aumento da concorrência motiva a indústria a implementar ferramentas que melhorem a eficiência de seus processos. A automação é uma dessas ferramentas, e o Real Time Optimization (RTO) ou Otimização em Tempo Real, é uma metodologia de automação que considera aspectos econômicos e restrições de processos e equipamentos para atualizar o controle do processo, de acordo com preços de mercado e distúrbios. Basicamente, o RTO usa um modelo fenomenológico em estado estacionário para predizer o comportamento do processo, em seguida, otimiza uma função objetivo econômica sujeita a esse modelo. Embora amplamente utilizado na indústria, não há ainda um consenso geral sobre os benefícios da implementação do RTO, devido a algumas limitações discutidas no presente trabalho: incompatibilidade estrutural entre planta e modelo, problemas de identificabilidade e baixa frequência de atualização dos set points. Algumas metodologias de RTO foram propostas na literatura para lidar com o problema da incompatibilidade entre planta e modelo. No entanto, não há uma comparação que avalie a abrangência e as limitações destas diversas abordagens de RTO, sob diferentes aspectos. Por esta razão, o método clássico de RTO é comparado com metodologias mais recentes, baseadas em derivadas (Modifier Adaptation, Integrated System Optimization and Parameter estimation, and Sufficient Conditions of Feasibility and Optimality), utilizando-se o método de Monte Carlo. Os resultados desta comparação mostram que o método clássico de RTO é coerente, desde que seja proporcionado um modelo suficientemente flexível para se representar a topologia do processo, um método de estimação de parâmetros apropriado para lidar com características de ruído de medição e um método para melhorar a qualidade da informação da amostra. Já os problemas de identificabilidade podem ser observados a cada iteração de RTO, quando o método atualiza alguns parâmetros-chave do modelo, o que é causado principalmente pela ausência de medidas e ruídos. Por esse motivo, quatro abordagens de estimação de parâmetros (Discriminação Rotacional, Seleção Automática e Estimação de Parâmetros, Reparametrização via Geometria Diferencial e o clássico Mínimos Quadrados não-lineares) são avaliados em relação à sua capacidade de predição, robustez e velocidade. Os resultados revelam que o método de Discriminação Rotacional é o mais adequado para ser implementado em um ciclo de RTO, já que requer menos informação a priori, é simples de ser implementado e evita o sobreajuste observado no método de Mínimos Quadrados. A terceira desvantagem associada ao RTO é a baixa frequência de atualização dos set points, o que aumenta o período em que o processo opera em condições subotimas. Uma alternativa para lidar com este problema é proposta no presente trabalho, integrando-se o RTO e o Self-Optimizing Control (SOC) através de um novo algoritmo de Model Predictive Control (MPC). Os resultados obtidos com a nova abordagem demonstram que é possível reduzir o problema da baixa frequência de atualização dos set points, melhorando o desempenho econômico do processo. Por fim, os aspectos práticos da implementação do RTO são discutidos em um estudo de caso industrial, que trata de um processo de destilação com bomba de calor, localizado na Refinaria de Paulínia (REPLAN - Petrobras). Os resultados deste estudo sugerem que os parâmetros do modelo são estimados com sucesso pelo método de Discriminação Rotacional; que o RTO é capaz de aumentar o lucro do processo em cerca de 3%, o equivalente a 2 milhões de dólares por ano; e que a integração entre SOC e RTO pode ser uma alternativa interessante para o controle deste processo de destilação.

Waterflooding is a common type of oil recovery techniques where water is pumped into the reservoir for increased productivity. Reservoir states change with time, as such, different injection and production settings will be required to lead the process to optimal operation which is actually a dynamic optimization problem. This could be solved through optimal control techniques which traditionally can only provide an open-loop solution. However, this solution is not appropriate for reservoir production due to numerous uncertain properties involved. Models that are updated through the current industrial practice of ‘history matching’ may fail to predict reality correctly and therefore, solutions based on history-matched models may be suboptimal or non-optimal at all. Due to its ability in counteracting the effects uncertainties, direct feedback control has been proposed recently for optimal waterflooding operations. In this work, two feedback approaches were developed for waterflooding process optimization. The first approach is based on the principle of receding horizon control (RHC) while the second is a new dynamic optimization method developed from the technique of self-optimizing control (SOC). For the SOC methodology, appropriate controlled variables (CVs) as combinations of measurement histories and manipulated variables are first derived through regression based on simulation data obtained from a nominal model. Then the optimal feedback control law was represented as a linear function of measurement histories from the CVs obtained. Based on simulation studies, the RHC approach was found to be very sensitive to uncertainties when the nominal model differed significantly from the conceived real reservoir. The SOC methodology on the other hand, was shown to achieve an operational profit with only 2% worse than the true optimal control, but 30% better than the open-loop optimal control under the same uncertainties. The simplicity of the developed SOC approach coupled with its robustness to handle uncertainties proved its potentials to real industrial applications.