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In addition to the long-term goal of mitigating climate change, the current geopolitical upheavals heighten the urgency to transform Europe's energy system. This involves expanding renewable energies while managing intermittent electricity generation. Hydrogen is a promising solution to balance generation and demand, simultaneously decarbonizing complex applications. To model the energy system's transformation, the project TransHyDE-Sys, funded by the German Federal Ministry of Education and Research, takes an integrated approach beyond traditional energy system analysis, incorporating a diverse range of more detailed methods and tools. Herein, TransHyDE-Sys is situated within the recent policy discussion. It addresses the requirements for energy system modeling to gain insights into transforming the European hydrogen and energy infrastructure. It identifies knowledge gaps in the existing literature on hydrogen infrastructure-oriented energy system modeling and presents the research approach of TransHyDE-Sys. TransHyDE-Sys analyzes the development of hydrogen and energy infrastructures from “the system” and “the stakeholder” perspectives. The integrated modeling landscape captures temporal and spatial interactions among hydrogen, electricity, and natural gas infrastructure, providing comprehensive insights for systemic infrastructure planning. This allows a more accurate representation of the energy system's dynamics and aids in decision-making for achieving sustainable and efficient hydrogen network development integration.

The transport of carbon dioxide through pipelines is one of the important components of Carbon dioxide Capture and Storage (CCS) systems that are currently being developed. If high flow rates are desired a transportation in the liquid or supercritical phase is to be preferred. For technical reasons, the transport must stay in that phase, without transitioning to the gaseous state. In this paper, a numerical simulation of the stationary process of carbon dioxide transport with impurities and phase transitions is considered. We use the Homogeneous Equilibrium Model (HEM) and the GERG-2008 thermodynamic equation of state to describe the transport parameters. The algorithms used allow to solve scenarios of carbon dioxide transport in the liquid or supercritical phase, with the detection of approaching the phase transition region. Convergence of the solution algorithms is analyzed in connection with fast and abrupt changes of the equation of state and the enthalpy function in the region of phase transitions.

The paper presents the topological reduction method applied to gas transport networks, using contraction of series, parallel and tree-like subgraphs. The contraction operations are implemented for pipe elements, described by quadratic friction law. This allows significant reduction of the graphs and acceleration of solution procedure for stationary network problems. The algorithm has been tested on several realistic network examples. The possible extensions of the method to different friction laws and other elements are discussed.

Novel methods for contingency analysis of gas transport networks are presented. They are motivated by the transition of our energy system where hydrogen plays a growing role. The novel methods are based on a specific method for topological reduction and so-called supernodes. Stationary Euler equations with advanced compressor thermodynamics and a gas law allowing for gas compositions with up to 100% hydrogen are used. Several measures and plots support an intuitive comparison and analysis of the results. In particular, it is shown that the newly developed methods can estimate locations and magnitudes of additional capacities (injection, buffering, storage etc.) with a reasonable performance for networks of relevant composition and size.

It is shown that the electrochemical kinetics of alkaline methanol oxidation can be reduced by setting certain fast reactions contained in it to a steady state. As a result, the underlying system of Ordinary Differential Equations (ODE) is transformed to a system of Differential-Algebraic Equations (DAE). We measure the precision characteristics of such transformation and discuss the consequences of the obtained model reduction.

In this paper, the electrochemical alkaline methanol oxidation process, which is relevant for the design of efficient fuel cells, is considered. An algorithm for reconstructing the reaction constants for this process from the experimentally measured polarization curve is presented. The approach combines statistical and principal component analysis and determination of the trust region for a linearized model. It is shown that this experiment does not allow one to determine accurately the reaction constants, but only some of their linear combinations. The possibilities of extending the method to additional experiments, including dynamic cyclic voltammetry and variations in the concentration of the main reagents, are discussed.

In this paper, modeling of piston and generic type gas compressors for a globally convergent algorithm for solving stationary gas transport problems is carried out. A theoretical analysis of the simulation stability, its practical implementation and verification of convergence on a realistic gas network have been carried out. The relevance of the paper for the topics of the conference is defined by a significance of gas transport networks as an advanced application of simulation and modeling, including the development of novel mathematical and numerical algorithms and methods.

Solving transport network problems can be complicated by non-linear effects. In the particular case of gas transport networks, the most complex non-linear elements are compressors and their drives. They are described by a system of equations, composed of a piecewise linear ‘free’ model for the control logic and a non-linear ‘advanced’ model for calibrated characteristics of the compressor. For all element equations, certain stability criteria must be fulfilled, providing the absence of folds in associated system mapping. In this paper, we consider a transformation (warping) of a system from the space of calibration parameters to the space of transport variables, satisfying these criteria. The algorithm drastically improves stability of the network solver. Numerous tests on realistic networks show that nearly 100% convergence rate of the solver is achieved with this approach.

The formulation of transport network problems is represented as a translation between two domain specific languages: from a network description language, used by network simulation community, to a problem description language, understood by generic non-linear solvers. A universal algorithm for this translation is developed, an estimation of its computational complexity given, and an efficient application of the algorithm demonstrated on a number of realistic examples. Typically, for a large gas transport network with about 10K elements the translation and solution of non-linear system together require less than 1 sec on the common hardware. The translation procedure incorporates several preprocessing filters, in particular, topological cleaning filters, which accelerate the solution procedure by factor 8.

In this paper, an analysis of the error ellipsoid in the space of solutions of stationary gas transport problems is carried out. For this purpose, a Principal Component Analysis of the solution set has been performed. The presence of unstable directions is shown associated with the marginal fulfillment of the resistivity conditions for the equations of compressors and other control elements in gas networks. Practically, the instabilities occur when multiple compressors or regulators try to control pressures or flows in the same part of the network. Such problems can occur, in particular, when the compressors or regulators reach their working limits. Possible ways of resolving instabilities are considered.

Pipeline transport is an efficient method for transporting fluids in energy supply and other technical applications. While natural gas is the classical example, the transport of hydrogen is becoming more and more important; both are transmitted under high pressure in a gaseous state. Also relevant is the transport of carbon dioxide, captured in the places of formation, transferred under high pressure in a liquid or supercritical state and pumped into underground reservoirs for storage. The transport of other fluids is also required in technical applications. Meanwhile, the transport equations for different fluids are essentially the same, and the simulation can be performed using the same methods. In this paper, the effect of control elements such as compressors, regulators and flaptraps on the stability of fluid transport simulations is studied. It is shown that modeling of these elements can lead to instabilities, both in stationary and dynamic simulations. Special regularization methods were developed to overcome these problems. Their functionality also for dynamic simulations is demonstrated for a number of numerical experiments.

Further development on globally convergent algorithms for solution of stationary network problems is presented. The algorithms make use of global non-degeneracy of Jacobi matrix of the system, composed of Kirchhoff's flow conservation conditions and transport element equations. This property is achieved under certain monotonicity conditions on element equations and guarantees an existence of a unique solution of the problem as well as convergence to this solution from an arbitrary starting point. In application to gas transport networks, these algorithms are supported by a proper modeling of gas compressors, based on individually calibrated physical characteristics. This paper extends the modeling of compressors by hierarchical methods of topological reduction, combining the working diagrams for parallel and sequential connections of compressors. Estimations are also made for application of topological reduction methods beyond the compressor stations in generic network problems. Efficiency of the methods is tested by numerical experiments on realistic networks.

In the coming years, the European Union plans to establish Proton Exchange Membrane (PEM) electrolyzers, each with a 100 MW capacity. However, the selection of their locations has not been systematically optimized to leverage potential benefits, such as utilizing waste heat from large facilities for district heating. Presently, there are hardly any corresponding system models in the literature dynamically simulating a PEM electrolyzer of this size. This paper introduces a first model approach for such systems, drawing on parameters from existing literature. It addresses the inconsistency found in the literature regarding the use of the exchange current density, which varies by a factor of . A novel optimization process is developed by using an auxiliary parameter to fit the exchange current density with a newfound condition between the anode and cathode side. The outcome is a comprehensive model of a PEM electrolyzer plant, exemplarily adapted to the Siemens Silyzer 300.

A building’s energy storage demand depends on a variety of factors related to the specific local conditions such as building type, self-sufficiency-rate, and grid connection. Here, a newly developed bottom-up procedure is presented for classifying buildings in an urban building portfolio according to specific criteria. The algorithm uses publicly available building data such as building use, ground floor area, roof ridge height, solar roof potential, and population statistics. In addition, it considers the local gas grid (GG) as well as the district heating (DH) network. The building classification is developed for identifying typical building situations that can be used to estimate the demand for residential energy storage capacity. The developed algorithm is used to identify potential implementation of private photovoltaic(PV)-metal-hydride-storage (MHS) systems, for three scenarios, into the urban infrastructure for the city of Cologne. As result the statistical confidence interval of all analyzed buildings regarding their classification as well as corresponding maps is shown. Since similar data sets as used are available for many German or European metropolitan areas, the method developed with the assumptions presented in this work, can be used for classification of other urban and semi-urban areas including the assessment of their grid infrastructure.

The general method of topological reduction for the network problems is presented on example of gas transport networks. The method is based on a contraction of series, parallel and tree-like subgraphs for the element equations of quadratic, power law and general monotone dependencies. The method allows to reduce significantly the complexity of the graph and to accelerate the solution procedure for stationary network problems. The method has been tested on a large set of realistic network scenarios. Possible extensions of the method have been described, including triangulated element equations, continuation of the equations at infinity, providing uniqueness of solution, a choice of Newtonian stabilizer for nearly degenerated systems. The method is applicable for various sectors in the field of energetics, including gas networks, water networks, electric networks, as well as for coupling of different sectors.

Alkaline methanol oxidation is an important electrochemical process in the design of efficient fuel cells. Typically, a system of ordinary differential equations is used to model the kinetics of this process. The fitting of the parameters of the underlying mathematical model is performed on the basis of different types of experiments, characterizing the fuel cell. In this paper, we describe generic methods for creation of a mathematical model of electrochemical kinetics from a given reaction network, as well as for identification of parameters of this model. We also describe methods for model reduction, based on a combination of steady-state and dynamical descriptions of the process. The methods are tested on a range of experiments, including different concentrations of the reagents and different voltage range.

Power-to-gas-to-X systems consisting of photovoltaic cells, proton-exchange membrane electrolysis, hydrogen storage based on metal hydrides, proton-exchange membrane fuel cells and buffer batteries could be used to meet heat and electricity demands of homes, businesses, or small districts. The actual size of the individual components and their interplay have to be optimized for the technical and economic feasibility of the overall system. A simulation-based optimization workflow would be a suitable way to accomplish this task, but there are hardly any tools that can simultaneously simulate power, fluid and heat flows of such systems and efficiently perform their optimization. In this paper, a multiphysical energy system simulation and optimization tool is introduced which models electrochemical and thermodynamic processes simultaneously, including modern equations of state and an own numerical solver for the arising differential–algebraic system of equations, and provides new methods for the calibration of parameters of the metal hydride storage, proton-exchange membrane electrolyzer and fuel cell as well as a metamodel-based approach for sizing optimization. As a demonstrator for the novel tool, a simulation model of a hydrogen lab is successfully set up based on experimental results. The novel tool is able to extract polarization and jump curves of the fuel cell, determine a first temperature and pressure dependency of the efficiency of the electrolysis coupled with the metal hydride storage and speed up sizing optimization through metamodeling by a factor 262.1 at 4.9% and 32.7 at 3.3% accuracy.

This work considers a stationary simulation of pipeline fluid transport, in the presence of impurities and phase transitions. This simulation finds applications in diverse areas such as energy carrier transportation, including natural gas and hydrogen, as well as the efficient transport of carbon dioxide from emission sources to designated storage sites. Particularly for the transport of carbon dioxide, which is preferably carried out in a liquid or supercritical state, the accurate detection of phase transitions is of utmost importance. Additionally, evaluating the simulation precision based on the selected pipe subdivision is crucial for transporting fluids of any kind. Our implementation includes an algorithm that utilizes the Homogeneous Equilibrium Model and the GERG-2008 thermodynamic equation of state for phase transition detection. We have also developed an optimal pipe subdivision algorithm using empirical formulas derived from extensive numerical experiments. Rigorous testing of the algorithms has been conducted on realistic fluid transport scenarios, confirming their effectiveness in addressing the stated technical challenges.

Um ein Power-to-Gas-to-X-System effizient zu optimieren, kann ein digitaler Zwilling als Simulationsmodell auf Basis experimenteller Daten für ein Laborsystem erstellt und entsprechend verändert werden. Darüber hinaus müssen für die Überwachung des realen Systems bzw. die Online-Simulation kontinuierlich Daten aus Experiment und Simulation erfasst und verarbeitet werden. Insgesamt ist ein effizienter Datenmanagement-Workflow erforderlich.
In dieser Arbeit wird ein Workflow aus freier, etablierter und skalierbarer Open-Source-Software für die vorliegende Anwendung skizziert und insbesondere ein geeignetes Datenmodell entwickelt, implementiert und seine ressourcensparende Realisierung auf kostengünstiger Hardware gezeigt. Abhängig von der Datenmodellierung kann preiswerte und alte Hardware für die geforderte Aufgabe ausreichend sein.
Mit Apache NiFi wird ein visueller Workflow zum Abrufen und Verarbeiten von Daten aus verschiedenen Quellen geschaffen. Die extrahierten Daten werden in Apache Cassandra aggregiert, einem Datensystem, das aufgrund seiner Leistung, Skalierbarkeit und Haltbarkeit häufig verwendet wird.
Grafana wird zur visuellen Überwachung des Systems eingesetzt. Das gesamte System wird mit Hilfe von Docker-Containern aufgebaut zum Zwecke der Reproduzierbarkeit und effizienten Bereitstellung.
Benchmarks und realistische Hardware- und Datenmodellierungskonfigurationen demonstrieren die Leistung der vorgeschlagenen Lösung.