Monitoring and Fault Diagnosis for Chylla-Haase Polymerization Reactor

The main objective of this research is to develop a fault detection and isolation (FDI) methodologies for Cylla-Haase polymerization reactor, and implement the developed methods to the nonlinear simulation model of the proposed reactor to evaluate the effectiveness of FDI methods. The first part of this research focus of this chapter is to understand the nonlinear dynamic behaviour of the Chylla-Haase polymerization reactor. In this part, the mathematical model of the proposed reactor is described. The Simulink model of the proposed reactor is set up using Simulink/MATLAB. The design of Simulink model is developed based on a set of ordinary differential equations that describe the dynamic behaviour of the proposed polymerization reactor. An independent radial basis function neural networks (RBFNN) are developed and employed here for an on-line diagnosis of actuator and sensor faults. In this research, a robust fault detection and isolation (FDI) scheme is developed for open-loop exothermic semi-batch polymerization reactor described by Chylla-Haase. The independent (RBFNN) is employed here when the system is subjected to system uncertainties and disturbances. Two different techniques to employ RBF neural networks are investigated. Firstly, an independent neural network is used to model the reactor dynamics and generate residuals. Secondly, an additional RBF neural network is developed as a classifier to isolate faults from the generated residuals. In the third part of this research, a robust fault detection and isolation (FDI) scheme is developed to monitor the Chylla-Haase polymerization reactor, when it is under the cascade PI control. This part is really challenging task as the controller output cannot be designed when the reactor is under closed-loop control, and the control action will correct small changes of the states caused by faults. The proposed FDI strategy employed a radial basis function neural network (RBFNN) in an independent mode to model the process dynamics, and using the weighted sum-squared prediction error as the residual. The Recursive Orthogonal Least Squares algorithm (ROLS) is employed to train the model to overcome the training difficulty of the independent mode of the network. Then, another RBFNN is used as a fault classifier to isolate faults from different features involved in the residual vector. In this research, an independent MLP neural network is implemented here to generate residuals for detection task. And another RBF is applied for isolation task performing as a classifier. The fault diagnosis scheme is developed for a Chylla-Haase reactor under open-loop and closed-loop control system. The comparison between these two neural network architectures (MPL and RBF) are shown that RBF configuration trained by (RLS) algorithm have several advantages. The first one is greater efficiency in finding optimal weights for field strength prediction in complex dynamic systems. The RBF configuration is less complex network that results in faster convergence. The training algorithms (RLs and ROLS) that used for training RBFNN in chapter (4) and (5) have proven to be efficient, which results in significant faster computer time in comparison to back-propagation one. Another fault diagnosis (FD) scheme is developed in this research for an exothermic semi-batch polymerization reactor. The scheme includes two parts: the first part is to generate residual using an extended Kalman filter (EKF), and the second part is the decision making to report fault using a standardized hypothesis of statistical tests. The FD simulation results are presented to demonstrate the effectiveness of the proposed method. In the lase section of this research, a robust fault diagnosis scheme for abrupt and incipient faults in nonlinear dynamic system. A general framework is developed for model-based fault detection and diagnosis using on-line approximators and adaptation/learning schemes. In this framework, neural network models constitute an important class of on-line approximators. The changes in the system dynamics due to fault are modelled as nonlinear functions of the state, while the time profile of the fault is assumed to be exponentially developing. The changes in the system dynamics are monitored by an on-line approximation model, which is used for detecting the failures. A systematic procedure for constructing nonlinear estimation algorithm is developed, and a stable learning scheme is derived using Lyapunov theory. Simulation studies are used to illustrate the results and to show the effectiveness of the fault diagnosis methodology. Finally, the success of the proposed fault diagnosis methods illustrates the potential of the application of an independent RBFNN, an independent MLP, an Extended kalman filter and an adaptive nonlinear observer based FD, to chemical reactors

Nonlinear Dynamic Analysis and Control of Chemical Processes Using Dynamic Operability

Nonlinear dynamic analysis serves an increasingly important role in process systems engineering research. Understanding the nonlinear dynamics from the mathematical model of a process helps to find the boundaries of all achievable process conditions and identify the system instabilities. The information on such boundaries is beneficial for optimizing the design and formulating a control structure. However, a systematic approach to analyzing nonlinear dynamics of chemical processes considering such boundaries in a quantifiable and adaptable way is yet to exist in the literature. The primary aim of this work is to formulate theoretical concepts for dynamic operability, as well as develop the practical implementation methods for the analysis of dynamic performance in chemical processes. Process operability is a powerful tool for analyzing the relationships between the input variables, the output variables, and the disturbances via the geometric computation of variable sets. The operability sets are described by unions of polyhedra, which can be translated to sets of inequality constraints, so the results of the operability analysis can be used for process optimization and advanced process control. Nonetheless, existing process operability approaches in the literature are currently limited for steady-state processes and a generalized definition of dynamic operability that retains the core principles of steady-state operability as a controllability measure. A unified dynamic operability concept is proposed in this dissertation with two different adaptations to represent the complex relationships between the design, control structure, and control law of a given process. The existing operability mapping methods discretize the input space by partitioning the ranges of each input variable evenly, and all possible input combinations are simulated to achieve the output sets. The procedure is repeated for each value in the expected disturbance set to find the output regions that are guaranteed to be achieved regardless of the disturbance scenario. However, for dynamic systems, the same set of manipulated inputs can take different values at different time intervals, so the number of possible input combinations, which is also the number of simulations required, increases exponentially with the number of time intervals. This tractability challenge motivates the development of novel dynamic operability mapping approaches. A linear time-invariant dynamic system is first considered to tackle the dynamic mapping of achievable output sets. For a linear system, the achievable output set (AOS) at a fixed predicted time is the smallest convex hull that contains all the images of the extreme points of the available input set (AIS) when propagated through the dynamic model. Given a collection of AOS’s at all predicted times, referred to as the achievable funnel, a set of output constraints is infeasible if its intersection with the achievable funnel is empty. Under the influence of a stochastic disturbance, the achievable funnel is shifted according to the definition of the expected disturbance set (EDS). If the EDS is bounded, the intersection of all achievable funnels at each disturbance realization is the tightest set of transient output constraints that is operable. Additionally, given a fixed setpoint, an AOS is referred to as a feasible AOS if a series of inputs from the AIS always brings any output to the setpoint regardless of the realization of the disturbance within the EDS. Thus, novel developed theories and algorithms to update the dynamic operability mapping according to the current state variables and the disturbance propagations are proposed to reduce the online computational time of the constraint calculation task. Dynamic operability mapping for nonlinear processes is an expansion of the above linear mapping. A novel state-space projection mapping is proposed by taking advantage of the discrete-time state-space structure of the dynamic model to reduce the number of input mapping combinations. This method augments the AIS at the current step to include the AOS of the state variables from the previous time step. The nonlinear dynamic operability mapping framework consists of three components: the AOS inspector, the AIS divider, and the merger of the AOS from the previous time with the AIS. Specifically, the AOS inspector evaluates if the current input-output combinations are approximately accurate to the real AOS when all input combinations are mapped to the output space. If the AOS inspector gauges that the current AOS is not sufficiently precise, the AIS divider systematically generates more input-output combinations based on the current AOS. This feedback process is repeated until an accuracy tolerance is reached. Finally, a novel grey-box model identification algorithm for process control is developed by integrating dynamic operability mapping and Bayesian calibration. The proposed dynamic discrepancy reduced-order model-based approach calibrates the rates of changes of the grey-box model to match the plant instead of compensating for the time-varying output differences. The model reduction framework is divided into three steps: formulating the dynamic discrepancy terms, calibrating the hyperparameters, and selecting the least complex model that is neither underfitted nor overfitted. To demonstrate the effectiveness of the reduced-order model, the developed approach is implemented into a model predictive controller for a high-fidelity model as the simulated plant

Computational Optimizations for Machine Learning

The present book contains the 10 articles finally accepted for publication in the Special Issue “Computational Optimizations for Machine Learning” of the MDPI journal Mathematics, which cover a wide range of topics connected to the theory and applications of machine learning, neural networks and artificial intelligence. These topics include, among others, various types of machine learning classes, such as supervised, unsupervised and reinforcement learning, deep neural networks, convolutional neural networks, GANs, decision trees, linear regression, SVM, K-means clustering, Q-learning, temporal difference, deep adversarial networks and more. It is hoped that the book will be interesting and useful to those developing mathematical algorithms and applications in the domain of artificial intelligence and machine learning as well as for those having the appropriate mathematical background and willing to become familiar with recent advances of machine learning computational optimization mathematics, which has nowadays permeated into almost all sectors of human life and activity

Control and operation of a spinning disc reactor

PhD ThesisThe aim of the present research is to assess the control and operation of a Spinning Disc Reactor (SDR), carried out via four separate investigations. Firstly, the effect of equipment size reduction on control is studied by comparing the performance of a PID controller applied to simulated intensified and conventional processes. It was found that superior control performance in terms of Integral of Absolute Error (IAE) is achieved for the simulated intensified system. However, the results showed that intensified systems are more susceptible to disturbances and the controlled variable exhibits larger overshoots. Furthermore, the frequency response analysis of the two systems showed that the simulated intensified system has reduced stability margins. The second part of the research investigates the task of pH control in a SDR using a PID controller by means of simulation and experimental studies. The effectiveness of a disturbance observer (DO) and a pH characteriser to compensate for the severe pH system nonlinearity is also explored in detail. The experimental studies showed that a PID controller provides adequate setpoint tracking and disturbance rejection performances. However, sluggish transient responses prevailed and the effluent pH limit cycled around the setpoint. There were indications of unstable behaviour at lower flowrates, which implied more advanced control schemas may be required to adapt to various operating regions dictated by the complex thin film hydrodynamics. The addition of the DO scheme improved the control performance by reducing the limit cycles. In the third segment of the investigations, the potential of exploiting the disc rotational speed as a manipulated variable is assessed for the process of barium sulphate precipitation. A PI controller is successfully used to regulate the conductivity of the effluent stream by adjusting the disc rotational speed. The results are immensely encouraging and show that the disc speed may be used as an extra degree of freedom in control system design. Finally, the flow regimes and wave characteristics of thin liquid films produced in a SDR are investigated by means of a thermal imaging camera. The film hydrodynamics strongly affect the heat and mass transfer processes within the processing films, and thus the intensification aspects of SDRs. Therefore, effective control and operation of such units is significantly dependent on the knowledge of film hydrodynamics and the underlying impact of the operating parameters and the manipulated variables on a given process. The results provided an interesting insight and unveiled promising potentials for characterisation of thin liquid film flow and temperature profiles across the disc by means of thermographic techniques. The present study reveals both challenges and opportunities regarding the control aspects of SDRs. It is recommended that equipment design and process control need to be considered simultaneously during the early stages of the future developments. Furthermore, intensified sensors and advanced controllers may be required to achieve an optimum control capability. Currently, the control performance is inhibited by the lack of sufficient considerations during the SDR design and manufacturing stages, and also by the characteristics of the commercially available instrumentation.EPSRC Doctoral Training Awar

Modeling and optimization of process systems for unconventional technologies and feedstocks

In the present era, the petrochemical/chemical process industries must adapt to unconventional feedstocks and energy sources, in order to keep pace with increased competition, regulatory pressure, and changing markets. However, developing processes compatible with these changes requires deviating from traditional and accepted process design and operation paradigms. This dissertation addresses fundamental challenges related to this transition from three angles: incorporation of custom (and detailed) models into process design, integration of variable operation with process design, and optimization of transient process operations. The first part of the dissertation introduces a framework for modeling, simulation, and optimization of process flowsheets incorporating highly detailed physical models of important and complex process units, termed “multi-resolution flowsheets”. The framework relies on pseudo-transient continuation as a numerical method and allows for the robust optimization of large-scale process models. Several case studies demonstrate the method, including process flowsheets featuring both intensified (e.g., dividing-wall distillation column, multistream heat exchanger) and unconventional (e.g., quenched reactor, packed column for carbon capture) process units. Furthermore, these results reveal significant benefits of considering the added level of detail at the design stage. Finally, an avenue is presented to accelerate the convergence of the pseudo-transient method, which is especially important for the large-scale models considered. In the second part of the dissertation, the focus shifts to process design optimization for variable operation, or optimization under uncertainty. Here, I present a method for process design that considers the effect of uncertain physical parameters (assumed to follow continuous probability distributions), using a formulation that exploits the semi-infinite nature of dynamic optimization. I compare the method to traditional “scenario-based” approaches using both theoretical analyses and multiple case studies. In addition to demonstrating the effectiveness of the proposed method, these case studies also emphasize the importance of considering several practically relevant uncertainties during process design. The final part of the dissertation examines explicit consideration of process dynamics for operational optimization. First, I examine periodic (dynamically intensified) processes, which operate at a cyclic steady state. I present a pseudo-transient method for robust optimization of fully discretized dynamic process models, and I present an approach for implementing cyclic conditions based on their fundamental relation to material/energy recycle loops. Lastly, I propose a framework for optimal production scheduling in fast changing market situations. Towards this end, I show how data-driven dynamic models can represent the behavior of a set of scheduling-relevant (physical or latent) variables. A method is also given for executing scheduling calculations using these models, and the framework is demonstrated by considering the demand response operation of both simulated and real-world air separation units.Chemical Engineerin

Equation-oriented modeling, simulation, and optimization of integrated and intensified process and energy systems

Process intensification, defined as unconventional design and/or operation of processes that results in substantial performance improvements, represents a promising route toward reducing capital and operating expenses in the chemical/petrochemical process industry, while simultaneously achieving improved safety and environmental performance. In this dissertation, intensification is approached from three different angles: reactor design and control, process flowsheet design and optimization, and production scheduling and control. In the first part of the dissertation, three novel concepts for improving the controllability of intensified microchannel reactors are introduced. The first concept is a latent energy storage-based temperature controller, where a phase change material is confined within the walls of an autothermal reactor to improve local temperature control. The second concept is a segmented catalyst layer which modulates the rate of heat generation and consumption along the length of an autothermal reactor. Finally, the third concept is a thermally actuated valve, which uses small-scale bimetallic strips to modulate flow in a microchannel reactor in response to temperature changes. The second part of the dissertation introduces a novel framework for equation-oriented flowsheet modeling, simulation and optimization. The framework consists of a pseudo-transient reformulation of the steady-state material and energy balance equations of process unit operations as differential-algebraic equation (DAE) systems that are statically equivalent to the original model. I show that these pseudo-transient models improve the convergence properties of equation-oriented process flowsheet simulations by expanding the convergence basin in comparison to conventional steady state equation-oriented simulators. A library of pseudo-transient unit operation models is developed, and several case studies are presented. Models for more complex unit operations such as a pseudo-transient multistream heat exchanger and a dividing-wall distillation column are later introduced, and can easily be included in the flowsheet optimization framework. In the final part of the dissertation, a paradigm for calculating the optimal production schedule in a fast changing market situation is introduced. This is accomplished by including a model of the dynamics of a process and its control system into production scheduling calculations. The scheduling-relevant dynamic models are constructed to be of lower order than a detailed dynamic process model, while capturing the closed-loop behavior of a set of scheduling-relevant variables. Additionally, a method is given for carrying out these production scheduling calculations online and in "closed scheduling loop,"' i.e., recalculating scheduling decisions upon the advent of scheduling-relevant process or market events. An air separation unit operating in a demand response scenario is used as a representative case study.Chemical Engineerin

Nano-Tio₂ precipitation in SDRs :experimental and modelling studies

PhD ThesisPrecipitation is responsible for more than 70% of all solids materials produced in chemical industries. The continuous development of the chemical process industry has been accompanied by increasing demands for enhanced product quality such as crystals with a controlled size, shape, purity, and polymorphic form. The aim of the present research is to assess the TiO2 precipitation process in Spinning Disc Reactor (SDRs), where rapid mass and heat transfer rates and mixing intensity in the thin film of liquid produced as a result of centrifugal acceleration facilitate improved methods of rapid precipitation. Macro and micromixing significantly influence reaction kinetics and thus the particle formation as well as the resulting product properties. Hence the objectives of the current research are divided into three main categories. Firstly a fundamental study into the macromixing efficiency of a SDR was undertaken by characterisation of residence time distribution (RTD) of fluid flow in a 30 cm SDR. The main focus of this segment was the study of influence of the hydrodynamic conditions of the thin film flow and disc configurations on the RTD in order to determine the optimal experimental parameters for which near plug flow behaviour prevailed on the spinning disc. RTD parameters such as normalised variance, dispersion number and number of tanks in series were studied under various parameters such as flowrate, rotational speed, fluid viscosity and disc texture (smooth, grooved). The findings showed that the highest macromixing conditions are achieved at higher rotational speeds and higher flowrates with a low viscosity fluid flowing on a grooved disc. The second part of the research investigated a reactive precipitation of TiO2 from acidified water and titanium tetra isopropoxide (TTIP) precursor in 10cm and 30 cm diameter SDRs. The findings demonstrated that smaller particles of less than 1 nm mean diameter with narrower PSDs were generally formed at higher yields at higher disc speeds, higher flowrates and higher flow ratio of water to TTIP precursor on a grooved disc surface, all of which provide the best hydrodynamic conditions for intense micromixing and macromixing in the fluid film travelling across the disc surface. The results also showed that 30 cm SDR was more efficient than 10 cm SDR at producing smaller particles with narrower PSD and higher yield. Finally a population balance model was proposed to evaluate and predict the size distribution of nanoparticles in the SDR. The model accounts for nucleation and growth of the TiO2 nanoparticles, which in turn was validated against the experimental results. Such a model can be employed to optimise operating conditions based on desired product particle size distribution. The present study reveals challenges and opportunities for TiO2 precipitation in SDRs. Currently the precipitation performance is inhibited by the disc material which leads to the precipitate sticking on the disc and also inefficient collector which can result in agglomeration of nanomaterials