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One of the practical bottlenecks associated with commercialization of lithium-air cells is the choice of an appropriate electrolyte that provides the required combination of cell performance, cyclability and safety. With the help of a two-dimensional multiphysics model, we attempt to narrow down the electrolyte choice by providing insights into the effect of the transport properties of electrolyte, electrode saturation (flooded versus gas diffusion), and electrode thickness on a single discharge performance of a lithium-air button cell cathode for five different electrolytes including water, ionic liquid, carbonate, ether, and sulfoxide. The 2D distribution of local current density and concentrations of electrochemically active species (O2 and Li+) in the cathode is also discussed w.r.t electrode saturation. Furthermore, the efficacy of species transport in the cathode is quantified by introducing two parameters, firstly, a transport efficiency that gives local insight into the distribution of mass transfer losses, and secondly, an active electrode volume that gives global insight into the cathode volume utilization at different current densities. A detailed discussion is presented toward understanding the design-induced performance limitations in a Li-air button cell prototype.
Lithium-ion batteries show a complex thermo-electrochemical performance and aging behavior. This paper presents a modeling and simulation framework that is able to describe both multi-scale heat and mass transport and complex electrochemical reaction mechanisms. The transport model is based on a 1D + 1D + 1D (pseudo-3D or P3D) multi-scale approach for intra-particle lithium diffusion, electrode-pair mass and charge transport, and cell-level heat transport, coupled via boundary conditions and homogenization approaches. The electrochemistry model is based on the use of the open-source chemical kinetics code CANTERA, allowing flexible multi-phase electrochemistry to describe both main and side reactions such as SEI formation. A model of gas-phase pressure buildup inside the cell upon aging is added. We parameterize the model to reflect the performance and aging behavior of a lithium iron phosphate (LiFePO4, LFP)/graphite (LiC6) 26650 battery cell. Performance (0.1–10 C discharge/charge at 25, 40 and 60°C) and calendaric aging experimental data (500 days at 30°C and 45°C and different SOC) from literature can be successfully reproduced. The predicted internal cell states (concentrations, potential, temperature, pressure, internal resistances) are shown and discussed. The model is able to capture the nonlinear feedback between performance, aging, and temperature.
Techno-economic comparison of membrane distillation and MVC in a zero liquid discharge application
(2018)
Membrane distillation (MD) is a thermally driven membrane process for the separation of vapour from a liquid stream through a hydrophobic, microporous membrane. However, a commercial breakthrough on a large scale has not been achieved so far. Specific developments on MD technology are required to adapt the technology for applications in which its properties can potentially outshine state of the art technologies such as standard evaporation. In order to drive these developments in a focused manner, firstly it must be shown that MD can be economically attractive in comparison to state of the art systems. Thus, this work presents a technological design and economic analysis for AGMD and v-AGMD for application in a zero liquid discharge (ZLD) process chain and compares it to the costs of mechanical vapour compression (MVC) for the same application. The results show that MD can potentially be ~40% more cost effective than MVC for a system capacity of 100 m3/day feed water, and up to ~75% more cost effective if the MD is driven with free waste heat.
We present an electrochemical model of a lithium iron phosphate/graphite (LFP/C6) cell that includes combined aging mechanisms: (i) Electrochemical formation of the solid electrolyte interphase (SEI) at the anode, leading to loss of lithium inventory, (ii) breaking of the SEI due to volume changes of the graphite particles, causing accelerated SEI growth, and (iii) loss of active material due to of loss percolation of the liquid electrolyte resulting from electrode dry-out. The latter requires the introduction of an activity-saturation relationship. A time-upscaling methodology is developed that allows to simulate large time spans (thousands of operating hours). The combined modeling and simulation framework is able to predict calendaric and cyclic aging up to the end of life of the battery cells. The aging parameters are adjusted to match literature calendaric and cyclic aging experiments, resulting in quantitative agreement of simulated nonlinear capacity loss with experimental data. The model predicts and provides an interpretation for the dependence of capacity loss on temperature, cycling depth, and average SOC. The introduction of a percolation threshold in the activity-saturation relationship allows to capture the strong nonlinearity of aging toward end of life (“sudden death”).
This article presents the development, parameterization, and experimental validation of a pseudo-three-dimensional (P3D) multiphysics model of a 350 mAh high-power lithium-ion pouch cell with graphite anode and lithium cobalt oxide/lithium nickel cobalt aluminum oxide (LCO/NCA) blend cathode. The model describes transport processes on three different scales: Heat transport on the macroscopic scale (cell), mass and charge transport on the mesoscopic scale (electrode pair), and mass transport on the microscopic scale (active material particles). A generalized description of electrochemistry in blend electrodes is developed, using the open-source software Cantera for calculating species source terms. Very good agreement of model predictions with galvanostatic charge/discharge measurements, electrochemical impedance spectroscopy, and surface temperature measurements is observed over a wide range of operating conditions (0.05C to 10C charge and discharge, 5°C to 35°C). The behavior of internal states (concentrations, potentials, temperatures) is discussed. The blend materials show a complex behavior with both intra-particle and inter-particle non-equilibria during cycling.
Fast charging of lithium-ion batteries remains one of the most delicate challenges for the automotive industry, being seriously affected by the formation of lithium metal in the negative electrode. Here we present a physicochemical pseudo-3D model that explicitly includes the plating reaction as side reaction running in parallel to the main intercalation reaction. The thermodynamics of the plating reaction are modeled depending on temperature and ion concentration, which differs from the often-used assumption of a constant plating condition of 0 V anode potential. The reaction kinetics are described with an Arrhenius-type rate law parameterized from an extensive literature research. Re-intercalation of plated lithium was modeled to take place either via reverse plating (solution-mediated) or via an explicit interfacial reaction (surface-mediated). At low temperatures not only the main processes (intercalation and solid-state diffusion) become slow, but also the plating reaction itself becomes slower. Using this model, we are able to predict typical macroscopic experimental observables that are indicative of plating, that is, a voltage plateau during discharge and a voltage drop upon temperature increase. A spatiotemporal analysis of the internal cell states allows a quantitative insight into the competition between intercalation and plating. Finally, we calculate operation maps over a wide range of C-rates and temperatures that allow to assess plating propensity as function of operating condition.
This paper shows the results of an in-depth techno-economic analysis of the public transport sector in a small to midsize city and its surrounding area. Public battery-electric and hydrogen fuel cell buses are comparatively evaluated by means of a total cost of ownership (TCO) model building on historical data and a projection of market prices. Additionally, a structural analysis of the public transport system of a specific city is performed, assessing best fitting bus lines for the use of electric or hydrogen busses, which is supported by a brief acceptance evaluation of the local citizens. The TCO results for electric buses show a strong cost decrease until the year 2030, reaching 23.5% lower TCOs compared to the conventional diesel bus. The optimal electric bus charging system will be the opportunity (pantograph) charging infrastructure. However, the opportunity charging method is applicable under the assumption that several buses share the same station and there is a “hotspot” where as many as possible bus lines converge. In the case of electric buses for the year 2020, the parameter which influenced the most on the TCO was the battery cost, opposite to the year 2030 in where the bus body cost and fuel cost parameters are the ones that dominate the TCO, due to the learning rate of the batteries. For H2 buses, finding a hotspot is not crucial because they have a similar range to the diesel ones as well as a similar refueling time. H2 buses until 2030 still have 15.4% higher TCO than the diesel bus system. Considering the benefits of a hypothetical scaling-up effect of hydrogen infrastructures in the region, the hydrogen cost could drop to 5 €/kg. In this case, the overall TCO of the hydrogen solution would drop to a slightly lower TCO than the diesel solution in 2030. Therefore, hydrogen buses can be competitive in small to midsize cities, even with limited routes. For hydrogen buses, the bus body and fuel cost make up a large part of the TCO. Reducing the fuel cost will be an important aspect to reduce the total TCO of the hydrogen bus.
This work presents the results of experimental operation of a solar-driven climate system using mixed-integer nonlinear model predictive control (MPC). The system is installed in a university building and consists of two solar thermal collector fields, an adsorption cooling machine with different operation modes, a stratified hot water storage with multiple inlets and outlets as well as a cold water storage. The system and the applied modeling approach is described and a parallelized algorithm for mixed-integer nonlinear MPC and a corresponding implementation for the system are presented. Finally, we show and discuss the results of experimental operation of the system and highlight the advantages of the mixed-integer nonlinear MPC application.
Lithium‐ion battery cells are multiscale and multiphysics systems. Design and material parameters influence the macroscopically observable cell performance in a complex and nonlinear way. Herein, the development and application of three methodologies for model‐based interpretation and visualization of these influences are presented: 1) deconvolution of overpotential contributions, including ohmic, concentration, and activation overpotentials of the various cell components; 2) partial electrochemical impedance spectroscopy, allowing a direct visualization of the origin of different impedance features; and 3) sensitivity analyses, allowing a systematic assessment of the influence of cell parameters on capacity, internal resistance, and impedance. The methods are applied to a previously developed and validated pseudo‐3D model of a high‐power lithium‐ion pouch cell. The cell features a blend cathode. The two blend components show strong coupling, which can be observed and interpreted using the results of overpotential deconvolution, partial impedance spectroscopy, and sensitivity analysis. The presented methods are useful tools for model‐supported lithium‐ion cell research and development.
This article presents a comparative experimental study of the electrical, structural and chemical properties of large‐format, 180 Ah prismatic lithium iron phosphate (LFP)/graphite lithium‐ion battery cells from two different manufacturers. These cells are particularly used in the field of stationary energy storage such as home‐storage systems. The investigations include (1) cell‐to‐cell performance assessment, for which a total of 28 cells was tested from each manufacturer, (2) electrical charge/discharge characteristics at different currents and ambient temperatures, (3) internal cell geometries, components, and weight analysis after cell opening, (4) microstructural analysis of the electrodes via light microscopy and scanning electron microscopy, (5) chemical analysis of the electrode materials using energy‐dispersive X‐ray spectroscopy, and (6) mathematical analysis of the electrode balances. The combined results give a detailed and comparative insight into the cell characteristics, providing essential information needed for system integration. The study also provides complete and self‐consistent parameter sets for the use in cells models needed for performance prediction or state diagnosis.
The increasing number of prosumers and the accompanying greater use of decentralised energy resources (DERs) bring new opportunities and challenges for the traditional electricity systems and the electricity markets. Microgrids, virtual power plants (VPPs), peer-to-peer (P2P) trading and federated power plants (FPPs) propose different schemes for prosumer coordination and have the potential of becoming the new paradigm of electricity market and power system operation. This paper proposes a P2P trading scheme for energy communities that negotiates power flows between participating prosumers with insufficient renewable power supply and prosumers with surplus supply in such a way that the community welfare is maximized while avoiding critical grid conditions. For this purpose, the proposed scheme is based on an Optimal Power Flow (OPF) problem with a Multi-Bilateral Economic Dispatch (MBED) formulation as an objective function. The solution is realized in a fully decentralized manner on the basis of the Relaxed Consensus + Innovations (RCI) algorithm. Network security is ensured by a tariff-based system organized by a network agent that makes use of product differentiation capabilities of the RCI algorithm. It is found that the proposed mechanism accurately finds and prevents hazardous network operations, such as over-voltage in grid buses, while successfully providing economic value to prosumers’ renewable generation within the scope of a P2P, free market.
It is considered necessary to implement advanced controllers such as model predictive control (MPC) to utilize the technical flexibility of a building polygeneration system to support the rapidly expanding renewable electricity grid. These can handle multiple inputs and outputs, uncertainties in forecast data, and plant constraints, amongst other features. One of the main issues identified in the literature regarding deploying these controllers is the lack of experimental demonstrations using standard components and communication protocols. In this original work, the economic-MPC-based optimal scheduling of a real-world heat pump-based building energy plant is demonstrated, and its performance is evaluated against two conventional controllers. The demonstration includes the steps to integrate an optimization-based supervisory controller into a typical building automation and control system with off-the-shelf HVAC components and usage of state-of-art algorithms to solve a mixed integer quadratic problem. Technological benefits in terms of fewer constraint violations and a hardware-friendly operation with MPC were identified. Additionally, a strong dependency of the economic benefits on the type of load profile, system design and controller parameters was also identified. Future work for the quantification of these benefits, the application of machine learning algorithms, and the study of forecast deviations is also proposed.
There is a strong interaction between the urban atmospheric canopy layer and the building energy balance. The urban atmospheric conditions affect the heat transfer through exterior walls, the long-wave heat transfer between the building surfaces and the surroundings, the short-wave solar heat gains, and the heat transport by ventilation. Considering also the internal heat gains and the heat capacity of the building structure, the energy demand for heating and cooling and the indoor thermal environment can be calculated based on the urban microclimatic conditions. According to the building energy concept, the energy demand results in an (anthropogenic) waste heat; this is directly transferred to the urban environment. Furthermore, the indoor temperature is re-coupled via the building envelope to the urban environment and affects indirectly the urban microclimate with a temporally lagged and damped temperature fluctuation. We developed a holistic building model for the combined calculation of indoor climate and energy demand based on an analytic solution of Fourier's equation and implemented this model into the PALM model.
A strong heat load in buildings and cities during the summer is not a new phenomenon. However, prolonged heat waves and increasing urbanization are intensifying the heat island effect in our cities; hence, the heat exposure in residential buildings. The thermophysiological load in the interior and exterior environments can be reduced in the medium and long term, through urban planning and building physics measures. In the short term, an increasingly vulnerable population must be effectively informed of an impending heat wave. Building simulation models can be favorably used to evaluate indoor heat stress. This study presents a generic simulation model, developed from monitoring data in urban multi-unit residential buildings during a summer period and using statistical methods. The model determines both the average room temperature and its deviations and, thus, consists of three sub-models: cool, average, and warm building types. The simulation model is based on the same mathematical algorithm, whereas each building type is described by a specific data set, concerning its building physical parameters and user behavior, respectively. The generic building model may be used in urban climate analyses with many individual buildings distributed across the city or in heat–health warning systems, with different building and user types distributed across a region. An urban climate analysis (with weather data from a database) may evaluate local differences in urban and indoor climate, whereas heat–health warning systems (driven by a weather forecast) obtain additional information on indoor heat stress and its expected deviations.
Lithium-ion batteries exhibit a dynamic voltage behaviour depending nonlinearly on current and state of charge. The modelling of lithium-ion batteries is therefore complicated and model parametrisation is often time demanding. Grey-box models combine physical and data-driven modelling to benefit from their respective advantages. Neural ordinary differential equations (NODEs) offer new possibilities for grey-box modelling. Differential equations given by physical laws and NODEs can be combined in a single modelling framework. Here we demonstrate the use of NODEs for grey-box modelling of lithium-ion batteries. A simple equivalent circuit model serves as a basis and represents the physical part of the model. The voltage drop over the resistor–capacitor circuit, including its dependency on current and state of charge, is implemented as a NODE. After training, the grey-box model shows good agreement with experimental full-cycle data and pulse tests on a lithium iron phosphate cell. We test the model against two dynamic load profiles: one consisting of half cycles and one dynamic load profile representing a home-storage system. The dynamic response of the battery is well captured by the model.
The use of biochar is an important tool to improve soil fertility, reduce the negative environmental impacts of agriculture, and build up terrestrial carbon sinks. However, crop yield increases by biochar amendment were not shown consistently for fertile soils under temperate climate. Recent studies show that biochar is more likely to increase crop yields when applied in combination with nutrients to prepare biochar-based fertilizers. Here, we focused on the root-zone amendment of biochar combined with mineral fertilizers in a greenhouse trial with white cabbage (Brassica oleracea convar. Capitata var. Alba) cultivated in a nutrient-rich silt loam soil originating from the temperate climate zone (Bavaria, Germany). Biochar was applied at a low dosage (1.3 t ha−1). The biochar was placed either as a concentrated hotspot below the seedling or it was mixed into the soil in the root zone representing a mixture of biochar and soil in the planting basin. The nitrogen fertilizer (ammonium nitrate or urea) was either applied on the soil surface or loaded onto the biochar representing a nitrogen-enhanced biochar. On average, a 12% yield increase in dry cabbage heads was achieved with biochar plus fertilizer compared to the fertilized control without biochar. Most consistent positive yield responses were observed with a hotspot root-zone application of nitrogen-enhanced biochar, showing a maximum 21% dry cabbage-head yield increase. Belowground biomass and root-architecture suggested a decrease in the fine root content in these treatments compared to treatments without biochar and with soil-mixed biochar. We conclude that the hotspot amendment of a nitrogen-enhanced biochar in the root zone can optimize the growth of white cabbage by providing a nutrient depot in close proximity to the plant, enabling efficient nutrient supply. The amendment of low doses in the root zone of annual crops could become an economically interesting application option for biochar in the temperate climate zone.
The lifetime of a battery is affected by various aging processes happening at the electrode scale and causing capacity and power fade over time. Two of the most critical mechanisms are the deposition of metallic lithium (plating) and the loss of lithium inventory to the solid electrolyte interphase (SEI). These side reactions compete with reversible lithium intercalation at the graphite anode. Here we present a comprehensive physicochemical pseudo-3D aging model for a lithium-ion battery cell, which includes electrochemical reactions for SEI formation on graphite anode, lithium plating, and SEI formation on plated lithium. The thermodynamics of the aging reactions are modeled depending on temperature and ion concentration, and the reactions kinetics are described with an Arrhenius-type rate law. The model includes also the positive feedback of plating on SEI growth, with the presence of plated lithium leading to a higher SEI formation rate compared to the values obtained in its absence at the same operating conditions. The model is thus able to describe cell aging over a wide range of temperatures and C-rates. In particular, it allows to quantify capacity loss due to cycling (here in % per year) as function of operating conditions. This allows the visualization of aging colormaps as function of both temperature and C-rate and the identification of critical operation conditions, a fundamental step for a comprehensive understanding of batteries performance and behavior. For example, the model predicts that at the harshest conditions (< –5 °C, > 3 C), aging is reduced compared to most critical conditions (around 0–5 °C) because the cell cannot be fully charged.
To achieve its climate goals, the German industry has to undergo a transformation toward renewable energies. To analyze this transformation in energy system models, the industry’s electricity demands have to be provided in a high temporal and sectoral resolution, which, to date, is not the case due to a lack of open-source data. In this paper, a methodology for the generation of synthetic electricity load profiles is described; it was applied to 11 industry types. The modeling was based on the normalized daily load profiles for eight electrical end-use applications. The profiles were then further refined by using the mechanical processes of different branches. Finally, a fluctuation was applied to the profiles as a stochastic attribute. A quantitative RMSE comparison between real and synthetic load profiles showed that the developed method is especially accurate for the representation of loads from three-shift industrial plants. A procedure of how to apply the synthetic load profiles to a regional distribution of the industry sector completes the methodology.
The significant market growth of stationary electrical energy storage systems both for private and commercial applications has raised the question of battery lifetime under practical operation conditions. Here, we present a study of two 8 kWh lithium-ion battery (LIB) systems, each equipped with 14 lithium iron phosphate/graphite (LFP) single cells in different cell configurations. One system was based on a standard configuration with cells connected in series, including a cell-balancing system and a 48 V inverter. The other system featured a novel configuration of two stacks with a parallel connection of seven cells each, no cell-balancing system, and a 4 V inverter. The two systems were operated as part of a microgrid both in continuous cycling mode between 30% and 100% state of charge, and in solar-storage mode with day–night cycling. The aging characteristics in terms of capacity loss and internal resistance change in the cells were determined by disassembling the systems for regular checkups and characterizing the individual cells under well-defined laboratory conditions. As a main result, the two systems showed cell-averaged capacity losses of 18.6% and 21.4% for the serial and parallel configurations, respectively, after 2.5 years of operation with 810 (serial operation) and 881 (parallel operation) cumulated equivalent full cycles. This is significantly higher than the aging of a reference single cell cycled under laboratory conditions at 20 °C, which showed a capacity loss of only 10% after 1000 continuous full cycles.
Simulation based studies for operational energy system analysis play a significant role in evaluation of various new age technologies and concepts in the energy grid. Various modelling approaches already exist and in this original paper, four models representing these approaches are compared in two real-world hybrid energy system scenarios. The models, namely TransiEnt, µGRiDS, and OpSim (including pandaprosumer and mosaic) are classified into component-oriented or system-oriented approaches as deduced from the literature research. The methodology section describes their differences under standard conditions and the necessary parameterization for the purpose of creating a framework facilitating a closest possible comparison. A novel methodology for scenario generation is also explained. The results help to quantify primary differences in these approaches that are also identified in literature and qualify the influence of the accuracy of the models for application in a system-wide analysis. It is shown that a simplified model may be sufficient for the system-oriented approach especially when the objective is an optimization-based control or planning. However, from a field level operational point of view, the differences in the time series signify the importance of the component-oriented approaches.