Keywords
Records with Keyword: Modelling
Lifetime Prediction of a Polymer Electrolyte Membrane Fuel Cell under Automotive Load Cycling Using a Physically-Based Catalyst Degradation Model
Manik Mayur, Mathias Gerard, Pascal Schott, Wolfgang G. Bessler
September 21, 2018 (v1)
Keywords: catalyst degradation, driving cycle, durability estimation, Modelling, polymer electrolyte membrane fuel cell (PEMFC)
One of the bottlenecks hindering the usage of polymer electrolyte membrane fuel cell technology in automotive applications is the highly load-sensitive degradation of the cell components. The cell failure cases reported in the literature show localized cell component degradation, mainly caused by flow-field dependent non-uniform distribution of reactants. The existing methodologies for diagnostics of localized cell failure are either invasive or require sophisticated and expensive apparatus. In this study, with the help of a multiscale simulation framework, a single polymer electrolyte membrane fuel cell (PEMFC) model is exposed to a standardized drive cycle provided by a system model of a fuel cell car. A 2D multiphysics model of the PEMFC is used to investigate catalyst degradation due to spatio-temporal variations in the fuel cell state variables under the highly transient load cycles. A three-step (extraction, oxidation, and dissolution) model of platinum loss in the cathode cataly... [more]
DC/DC Boost Converter⁻Inverter as Driver for a DC Motor: Modeling and Experimental Verification
Víctor Hugo García-Rodríguez, Ramón Silva-Ortigoza, Eduardo Hernández-Márquez, José Rafael García-Sánchez, Hind Taud
September 21, 2018 (v1)
Keywords: bidirectional angular velocity, DC motor, DC/DC boost converter, differential flatness, experimental verification, inverter, Modelling
In this paper, the modeling and the experimental verification of the “bidirectional DC/DC boost converter⁻DC motor„ system are presented. By using circuit theory along with the model of a DC motor, the mathematical model of the system is derived. This model was experimentally tested under time-varying duty cycles obtained via the system differential flatness property. The experimental verification was carried out using Matlab-Simulink and a DS1104 board in a built prototype of the system.
Dry Fuel Jet Half-Angle Measurements and Correlation for an Entrained Flow Gasifier
Francis Kus, Robin Hughes, Arturo Macchi, Poupak Mehrani, Marc Duchesne
September 21, 2018 (v1)
Keywords: gasification, imaging, jet half-angle, Modelling
Reduced order models (ROMs) are increasingly applied to entrained flow gasification development due to reduced computational requirements relative to computational fluid dynamics (CFD) models. However, they require greater a posteriori knowledge of the reactor physics. A significant parameter influencing ROM outputs is the jet half-angle of the solid fuel and oxidant mixture in the gasifier. Thus, it is important to understand the geometry of the jet in the gasifier, and how it is dependent on operating parameters, such as solid and carrier gas flow rates. In this work, an existing model for jet half-angles, which considers the ratio of surrounding gas density to jet core density, is extended to a dry solids jet with impinging gas. The model is fitted to experimental jet half-angles. The jet half-angle of a non-reactive flow was measured using laser-sheet imaging for solid fluxes in the range of 460⁻880 kg/m²·s and carrier gas fluxes in the range of 43⁻90 kg/m²·s at the transport line... [more]
Aspen Plus Simulation of Biomass-Gas-and-Nuclear-To-Liquids (BGNTL) Processes (Using CuCl Route)
James Alexander Scott, Thomas Alan Adams II
August 7, 2018 (v1)
These are Aspen Plus simulation files for a Biomass-Gas-and-Nuclear-To-Liquids chemical plant (a conceptional design), which uses the Copper-Chloride route for hydrogen production. This is a part of a larger work (see linked LAPSE record for pre-print and associated publication in Canadian J Chem Eng). Process sections and major units in this simulation include: Gasification, Integrated-Gasification-Methane-Reforming, Pre-Reforming, Water Gas Shift, Autothermal Reforming, Syngas Blending and Upgrading, Solid Oxide Fuel Cell power islands, Fischer-Tropsch Synthesis, Methanol Synthesis, Dimethyl Ether Synthesis, Heat Recovery and Steam Generation, CO2 Compression for Sequestration, Cooling Towers, and various auxiliary units for heat and pressure management. See the linked work for a detailed description of the model.
Modelling the Nanomechanical Responses of Biofilms Grown on the Indenter Probe
Yuqing Xia, Pengfei Duan, Jinju Chen
July 31, 2018 (v1)
Keywords: biofilm, Modelling, nanoindentation
Biofilms have a profound impact on the environment, human health and industrial systems. In order to manage and control them, it is important to measure their mechanical properties intact. Therefore, it has been proposed to grow the biofilms on the atomic force microscope prior to nanoindentation tests with the same probe. However, for nanoindentation of biofilm grown on spherical indenter itself, the existing nanoindentation models become invalid. Therefore, modified models have been proposed to describe the nanoindentation response of biofilm grown on a sphere based on finite element modelling. It was found that the applicability of the models depends on the biofilm thickness and constitutive mechanical models adopted for biofilms. The models developed here would enable more reliable determination of viscoelastic properties of biofilms that grow intact on the indenter itself.
Systematic Design and Evaluation of an Extraction Process for Traditionally Used Herbal Medicine on the Example of Hawthorn (Crataegus monogyna JACQ.)
Maximilian Sixt, Jochen Strube
July 31, 2018 (v1)
Keywords: harvest, Modelling, pressurized hot water extraction, Simulation, variety
Traditionally used herbal medicines are deep in the consciousness of patients for the treatment of only minor diseases by self-medication. However, manufacturers of herbal medicinal products suffer from major problems such as increasing market pressure by e.g., the food supplement sector, increasing regulations, and costs of production. Moreover, due to more stringent regulation and approval processes, innovation is hardly observed, and the methods used in process development are outdated. Therefore, this study aims to provide an approach based on modern process engineering concepts and including predictive process modelling and simulation for the extraction of traditional herbal medicines as complex extracts. The commonly used solvent-based percolation is critically assessed and compared to the so-called pressurized hot water extraction (PHWE) as a new possible alternative to replace organic solvents. In the study a systematic process design for the extraction of hawthorn (Crataegus m... [more]
Bleaching of Neutral Cotton Seed Oil Using Organic Activated Carbon in a Batch System: Kinetics and Adsorption Isotherms
Abba Chetima, Abdoul Wahabou, Gaston Zomegni, Abdoul Ntieche Rahman, Divine Bup Nde
July 31, 2018 (v1)
Keywords: activated carbon, cotton, isotherms, Modelling, neem, oil bleaching
In the processing of cotton and neem seeds to obtain oil for diverse uses, enormous quantities of seed husk are generated as waste, which when not properly disposed of, poses environmental problems. One way of reducing this waste is to use it for the production of activated carbon (AC) for its multiple applications. In this work, activated carbon was produced from cotton and neem seed husks by carbonization followed by acid activation. The prepared ACs were characterized for its porosity and surface properties as well as for its ability to bleach neutral cotton seed oil. The prepared ACs are very efficient in the decoloration process, as they removed about 96⁻98% of the pigments compared to 98.4% removal with commercial bleaching earth. Temperature had a pronounced effect on the bleaching of neutral cotton seed oil. Maximum adsorption was observed at 60 °C for a contact time of 45 min. The adsorption kinetics were modelled by the intra-particle and the pseudo-second order equations whi... [more]
Systematic and Model-Assisted Evaluation of Solvent Based- or Pressurized Hot Water Extraction for the Extraction of Artemisinin from Artemisia annua L.
Maximilian Sixt, Jochen Strube
July 31, 2018 (v1)
Keywords: artemisinin, Extraction, Green Solvents, Modelling, Pressurized Hot Water Extraction, Simulation
In this study, the solvent based extraction of artemisinin from Artemisia annua L. using acetone in percolation mode is compared to the method of pressurized hot water extraction. Both techniques are simulated by a physico-chemical process model. The model as well as the model parameter determination, including the thermal degradation of artemisinin are shown and discussed. For the conventional extraction, a solvent screening is performed considering various organic solvents. A temperature screening is presented for the systematic design of the pressurized hot water extraction. The best temperature with regards to thermal decomposition and high productivity was found to be 80 °C. Both, conventional percolation and Pressurized Hot Water Extraction (PHWE) are suitable for the extraction of artemisinin. The extraction curves show a high conformity with the simulation results.
Aqueous Free-Radical Polymerization of Non-Ionized and Fully Ionized Methacrylic Acid
Eric Jean Fischer, Giuseppe Storti, Danilo Cuccato
July 31, 2018 (v1)
Subject: Materials
Keywords: electrostatic interactions, electrostatic screening, free radical polymerization, kinetics, methacrylic acid, Modelling, NMR, propagation, termination
Water-soluble, carboxylic acid monomers are known to exhibit peculiar kinetics when polymerized in aqueous solution. Namely, their free-radical polymerization rate is affected by several parameters such as monomer concentration, ionic strength, and pH. Focusing on methacrylic acid (MAA), even though this monomer has been largely addressed, a systematic investigation of the effects of the above-mentioned parameters on its polymerization rate is missing, in particular in the fully ionized case. In this work, the kinetics of non-ionized and fully ionized MAA are characterized by in-situ nuclear magnetic resonance (NMR). Such accurate monitoring of the reaction rate enables the identification of relevant but substantially different effects of the monomer and electrolyte concentration on polymerization rate in the two ionization cases. For non-ionized MAA, the development of a kinetic model based on literature rate coefficients allows us to nicely simulate the experimental data of conversio... [more]
Modeling of the Copolymerization Kinetics of n-Butyl Acrylate and d-Limonene Using PREDICI ®
Shanshan Ren, Eduardo Vivaldo-Lima, Marc A. Dubé
July 30, 2018 (v2)
Keywords: d-limonene, Modelling, n-butyl acrylate, polymerization kinetics
Kinetic modeling of the bulk copolymerization of d-limonene (Lim) and n-butyl acrylate (BA) at 80 °C was performed using PREDICI®. Model predictions of conversion, copolymer composition and average molecular weights are compared to experimental data at five different feed compositions (BA mol fraction = 0.5 to 0.9). The model illustrates the significant effects of degradative chain transfer due to the allylic structure of Lim as well as the intramolecular chain transfer mechanism due to BA.
Deterministic Global Optimization with Artificial Neural Networks Embedded
Global deterministische Optimierung von Optimierungsproblemen mit künstlichen neuronalen Netzwerken
Artur M Schweidtmann, Alexander Mitsos
October 15, 2018 (v2)
Subject: Optimization
Artificial neural networks (ANNs) are used in various applications for data-driven black-box modeling and subsequent optimization. Herein, we present an efficient method for deterministic global optimization of ANN embedded optimization problems. The proposed method is based on relaxations of algorithms using McCormick relaxations in a reduced-space [\textit{SIOPT}, 20 (2009), pp. 573-601] including the convex and concave envelopes of the nonlinear activation function of ANNs. The optimization problem is solved using our in-house global deterministic solver MAiNGO. The performance of the proposed method is shown in four optimization examples: an illustrative function, a fermentation process, a compressor plant and a chemical process optimization. The results show that computational solution time is favorable compared to the global general-purpose optimization solver BARON.
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