arXiv subjects

John Bagterp Jørgensen

Publications and source records attributed to John Bagterp Jørgensen.

At least 37 records · Page 2Linked to original sources

arXiv2024

Electrification of Clay Calcination: A First Look into Dynamic Modeling and Energy Management for Integration with Sustainable Power Grids

This article explores the electrification in clay calcination, proposing a dynamic model and energy management strategy for the integration of electrified calcination plants into sustainable power grids. A theoretical dynamic modeling of the electrified calcination process is introduced, aiming at outlining temperature profiles and energy usage - thus exploring the feasibility of electrification. The model serves as a tool for optimizing parameters, estimating system behavior, and enabling model-based process control. An innovative energy management model is also presented, ensuring efficient assimilation of electrified calcination plants into the power grid. It encapsulates demand-supply balancing and optimizes renewable energy usage. In essence, we provide an insightful pathway to a more sustainable cement production, underlining the value of renewable energy sources and effective energy management in the context of clay calcination.

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arXiv2024

Numerical Discretization Methods for the Extended Linear Quadratic Control Problem

In this study, we introduce numerical methods for discretizing continuous-time linear-quadratic optimal control problems (LQ-OCPs). The discretization of continuous-time LQ-OCPs is formulated into differential equation systems, and we can obtain the discrete equivalent by solving these systems. We present the ordinary differential equation (ODE), matrix exponential, and a novel step-doubling method for the discretization of LQ-OCPs. Utilizing Euler-Maruyama discretization with a fine step, we reformulate the costs of continuous-time stochastic LQ-OCPs into a quadratic form, and show that the stochastic cost follows the $χ^2$ distribution. In the numerical experiment, we test and compare the proposed numerical methods. The results ensure that the discrete-time LQ-OCP derived using the proposed numerical methods is equivalent to the original problem.

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arXiv2024

Numerical Methods for Optimal Boundary Control of Advection-Diffusion-Reaction Systems

This paper considers the optimal boundary control of chemical systems described by advection-diffusion-reaction (ADR) equations. We use a discontinuous Galerkin finite element method (DG-FEM) for the spatial discretization of the governing partial differential equations, and the optimal control problem is directly discretized using multiple shooting. The temporal discretization and the corresponding sensitivity calculations are achieved by an explicit singly diagonally-implicit Runge Kutta (ESDIRK) method. ADR systems arise in process systems engineering and their operation can potentially be improved by nonlinear model predictive control (NMPC). We demonstrate a numerical approach for the solution to their optimal control problems (OCPs) in a chromatography case study. Preparative liquid chromatography is an important downstream process in biopharmaceutical manufacturing. We show that multi-step elution trajectories for batch processes can be optimized for economic objectives, providing superior performance compared to classical gradient elution trajectories.

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arXiv2024

Numerical Discretization Methods for Linear Quadratic Control Problems with Time Delays

This paper presents the numerical discretization methods of the continuous-time linear-quadratic optimal control problems (LQ-OCPs) with time delays. We describe the weight matrices of the LQ-OCPs as differential equations systems, allowing us to derive the discrete equivalent of the continuous-time LQ-OCPs. Three numerical methods are introduced for solving proposed differential equations systems: 1) the ordinary differential equation (ODE) method, 2) the matrix exponential method, and 3) the step-doubling method. We implement a continuous-time model predictive control (CT-MPC) on a simulated cement mill system, and the objective function of the CT-MPC is discretized using the proposed LQ discretization scheme. The closed-loop results indicate that the CT-MPC successfully stabilizes and controls the simulated cement mill system, ensuring the viability and effectiveness of LQ discretization.

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arXiv2024

Dynamic modeling and simulation of a flash clay calciner

We present a novel dynamic model of a flash clay calciner. The model consists of thermophysical properties, reaction kinetics and stoichiometry, transport, mass and energy balances, and algebraic constraints. This gives rise to a system of partial differential-algebraic equations (PDAE). Spatial discretization is performed to convert the PDAEs into a system of differential-algebraic equations (DAE). The model can be used, for example, to perform dynamic simulations with changing inputs, and process design and optimization. Moreover, it can be used to develop model-based control, which is relevant for flexible operation of a clay calcination plant for green cement production.

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arXiv2024

A Comparative Study of Sensitivity Computations in ESDIRK-Based Optimal Control Problems

In this paper, we compare the impact of iterated and direct approaches to sensitivity computation in fixed-step explicit singly diagonally-implicit Runge-Kutta (ESDIRK) methods when applied to optimal control problems (OCPs). We use the principle of internal numerical differentiation (IND) strictly for the iterated approach, i.e., reusing the iteration matrix factorizations, the number of Newton-type iterations, and Newton iterates, to compute the sensitivities. The direct method computes the sensitivities without using the Newton schemes. We compare the impact of the iterated and direct sensitivity computations in OCPs for the quadruple tank system. We benchmark the iterated and direct approaches with a base case. This base case is an OCP that applies an ESDIRK method that refactorizes the iteration matrix in every Newton iteration and uses a direct approach for sensitivity computations. In these OCPs, we vary the number of integration steps between control intervals and we evaluate the performance based on the number of SQP and QPs iterations, KKT violations, and the total number of function evaluations, Jacobian updates, and iteration matrix factorizations. The results indicate that the iterated approach outperforms the direct approach but yields similar performance to the base case.

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arXiv2023

Mathematical meal models for simulation of human metabolism

We present and critically discuss five commonly used mathematical models of the meal glucose rate of appearance in humans. Such models are key to simulation of the metabolism in healthy people, people with diabetes, and obese people, and they are central to developing effective treatments and prevention strategies. Furthermore, we discuss important aspects of systematic mathematical modeling of human metabolism, including meal consumption modeling, stoichiometry and reaction kinetics, and general-purpose model components.

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arXiv2023

Quantitative modeling and simulation of biochemical processes in the human body

We present a whole-body model of human metabolism that utilizes a system of organs and blood vessels to simulate the enzymatic reactions. The model focuses on key organs, including the brain, heart and lungs, liver, gut, and kidney, as well as muscle and adipose tissue. The model equations are formulated using stoichiometry and Michaelis-Menten kinetics to describe the enzymatic reactions. We demonstrate how the model can be used to simulate the effects of prolonged fasting and intermittent fasting on selected metabolite concentrations and glucose flux. Furthermore, by simulating intermittent fasting the effect on the carbohydrate, the protein and the lipid storage is examined. We propose this method as a simple and intuitive approach for modeling the human metabolism, which is general, systematic and easy to incorporate. This could have potential applications in PK/PD drug development and in understanding metabolic disorders.

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arXiv2023

Software principles and concepts applied in the implementation of cyber-physical systems for real-time advanced process control

Cyber-physical systems (CPSs) for real-time advanced process control (RT-APC) are a class of control systems using network communication to control industrial processes. In this paper, we use simple examples to describe the software principles and concepts used in the implementation of such systems. The key software principles are 1) shared data in the form of a database, files, or shared memory, 2) timers and threads for concurrent periodic execution of tasks, and 3) network communication between the control system and the process, and communication between the control system and the internet, e.g., the cloud to enable remote monitoring and commands. We show how to implement such systems for Linux operating systems applying the C programming language and we also comment on the implementation using the Python programming language. Finally, we present a complete simulation experiment using a real-time simulator.

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arXiv2023

Performance Quantification of a Nonlinear Model Predictive Controller by Parallel Monte Carlo Simulations of a Closed-loop System

This paper presents a parallel Monte Carlo simulation based performance quantification method for nonlinear model predictive control (NMPC) in closed-loop. The method provides distributions for the controller performance in stochastic systems enabling performance quantification. We perform high-performance Monte Carlo simulations in C enabled by a new thread-safe NMPC implementation in combination with an existing high-performance Monte Carlo simulation toolbox in C. We express the NMPC regulator as an optimal control problem (OCP), which we solve with the new thread-safe sequential quadratic programming software NLPSQP. Our results show almost linear scale-up for the NMPC closed-loop on a 32 core CPU. In particular, we get approximately 27 times speed-up on 32 cores. We demonstrate the performance quantification method on a simple continuous stirred tank reactor (CSTR), where we perform 30,000 closed-loop simulations with both an NMPC and a reference proportional-integral (PI) controller. Performance quantification of the stochastic closed-loop system shows that the NMPC outperforms the PI controller in both mean and variance.

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arXiv2023

Dynamic Optimization for Monoclonal Antibody Production

This paper presents a dynamic optimization numerical case study for Monoclonal Antibody (mAb) production. The fermentation is conducted in a continuous perfusion reactor. We represent the existing model in terms of a general modeling methodology well-suited for simulation and optimization. The model consists of six ordinary differential equations (ODEs) for the non-constant volume and the five components in the reactor. We extend the model with a glucose inhibition term to make the model feasible for optimization case studies. We formulate an optimization problem in terms of an optimal control problem (OCP) and consider four different setups for optimization. Compared to the base case, the optimal operation of the perfusion reactor increases the mAb yield with 44% when samples are taken from the reactor and with 52% without sampling. Additionally, our results show that multiple optimal feeding trajectories exist and that full glucose utilization can be forced without loss of mAb formation.

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arXiv2023

Data Assimilation for Combined Parameter and State Estimation in Stochastic Continuous-Discrete Nonlinear Systems

Data assimilation (DA) provides a general framework for estimation in dynamical systems based on the concepts of Bayesian inference. This constitutes a common basis for the different linear and nonlinear filtering and smoothing techniques which gives a better understanding of the characteristics and limitations of each approach. In this study, four nonlinear filters for systems governed by stochastic continuous dynamics with discrete measurements are inferred as different approximate solutions to the Fokker-Planck equation in the prediction step of the Bayesian update. The characteristics and drawbacks of each filtering approach are discussed in light of the introduced approximations to the original Bayesian problem in each case. The introduced continuous-discrete (CD) filters are then implemented to solve the combined estimation problem of the state and parameter variables in a nonlinear system described by a stochastic differential equation (SDE), namely, the continuous stirred-tank reactor (CSTR). The performance measures for each filter, such as estimation errors, computational cost, and the ability to quantify the correct uncertainty, are compared and investigated with attribution to the assumed approximations introduced in the derivation of each class of filters.

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arXiv2022

Modeling, scientific computing and optimal control for renewable energy systems with storage

This paper presents models for renewable energy systems with storage, and considers its optimal operation. We model and simulate wind and solar power production using stochastic differential equations as well as storage of the produced power using batteries, thermal storage, and water electrolysis. We formulate an economic optimal control problem, with the scope of controlling the system in the most efficient way, while satisfying the power demand from the electric grid. Deploying multiple storage systems allows flexibility and higher reliability of the renewable energy system.

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arXiv2022

Model-based control algorithms for the quadruple tank system: An experimental comparison

We compare the performance of proportional-integral-derivative (PID) control, linear model predictive control (LMPC), and nonlinear model predictive control (NMPC) for a physical setup of the quadruple tank system (QTS). We estimate the parameters in a continuous-discrete time stochastic nonlinear model for the QTS using a prediction-error-method based on the measured process data and a maximum likelihood (ML) criterion. In the NMPC algorithm, we use this identified continuous-discrete time stochastic nonlinear model. The LMPC algorithm is based on a linearization of this nonlinear model. We tune the PID controller using Skogestad's IMC tuning rules using a transfer function representation of the linearized model. Norms of the observed tracking errors and the rate of change of the manipulated variables are used to compare the performance of the control algorithms. The LMPC and NMPC perform better than the PID controller for a predefined time-varying setpoint trajectory. The LMPC and NMPC algorithms have similar performance.

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arXiv2022

State Estimation for Continuous-Discrete-Time Nonlinear Stochastic Systems

State estimation incorporates the feedback in optimization based advanced process control systems and is very important for the performance of model predictive control. We describe the extended Kalman filter, the unscented Kalman filter, the ensemble Kalman filter, and a particle filter for continuous-discrete time nonlinear systems involving stochastic differential equations. Continuous-discrete time nonlinear systems is a natural way to model physical systems controlled by digital controllers. We implement the state estimation methods in Matlab, illustrate and evaluate their performance using simulations of the modified four-tank system. This system is non-stiff and the state estimation methods are implemented numerically using an explicit numerical integration scheme. We evaluate the accuracy of the state estimation methods in terms of the mean absolute percentage error over the simulation horizon. Each method successfully estimates the states and unmeasured disturbances of the simulated modified four-tank system. The key contribution is an overview and comparison of state estimation methods for continuous-discrete time nonlinear stochastic systems. This can guide efficient implementations.

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arXiv2022

Model Predictive Control Tuning by Monte Carlo Simulation and Controller Matching

This paper presents a systematic method for the selection of the Model Predictive Control (MPC) stage cost. We match the MPC feedback law to a proportional-integral (PI) controller, which we efficiently tune by high-performance Monte Carlo (MC) simulation. The PI tuning offers a wide range of tuning possibilities that is then inherited by the MPC design. The MC simulation tuning of the PI controller is based on the minimization of two different objectives; 1) the 2-norm tracking error, and 2) a bi-objective consisting of the 2-norm tracking error and a 2-norm input rate of movement penalty. We apply the method to design MPC for an exothermic chemical reaction conducted in an adiabatic continuous stirred tank reactor (CSTR). The process is of interest as the nonlinear dynamics result in a desired operating point very close to a constraint. Our MPC design includes stage costs automatically designed to match the tuned PI controllers, hard input constraints, and a soft output constraint. Stochastic simulation results show that both the PI controller and the MPC can track the desired operating point. However, the MPC shows reduced output constraint violation compared to the PI controller. As such, the MPC design method successfully combines the efficient tuning of the PI controller with the constraint handling properties of MPC.

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arXiv2022

Modelling and Economic Optimal Control for a Laboratory-scale Continuous Stirred Tank Reactor for Single-cell Protein Production

In this paper, we present a novel kinetic growth model for the micro-organism \textit{Methylococcus capsulatus} (Bath) that couples growth and pH. We apply growth kinetics in a model for single-cell protein production in a laboratory-scale continuous stirred tank reactor inspired by a physical laboratory fermentor. The model contains a set of differential algebraic equations describing growth and pH-dynamics in the system. We present a method of simulation that ensures non-negativity in the state and algebraic variables. Additionally, we introduce linear scaling of the algebraic equations and variables for numerical stability in Newton's method. Finally, we conduct a numerical experiment of economic optimal control for single-cell protein production in the laboratory-scale reactor. The numerical experiment shows non-trivial input profiles for biomass growth and pH tracking.

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arXiv2022

Estimating a Personalized Basal Insulin Dose from Short-Term Closed-Loop Data in Type 2 Diabetes

In type 2 diabetes (T2D) treatment, finding a safe and effective basal insulin dose is a challenge. The dose-response is highly individual and to ensure safety, people with T2D titrate by slowly increasing the daily insulin dose to meet treatment targets. This titration can take months. To ease and accelerate the process, we use short-term artificial pancreas (AP) treatment tailored for initial titration and apply it as a diagnostic tool. Specifically, we present a method to automatically estimate a personalized daily dose of basal insulin from closed-loop data collected with an AP. Based on AP-data from a stochastic simulation model, we employ the continuous-discrete extended Kalman filter and a maximum likelihood approach to estimate parameters in a simple dose-response model for 100 virtual people. With the identified model, we compute a daily dose of basal insulin to meet treatment targets for each individual. We test the personalized dose and evaluate the treatment outcomes against clinical reference values. In the tested simulation setup, the proposed method is feasible. However, more extensive tests will reveal whether it can be deemed safe for clinical implementation.

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