Blar i NTNU Open på forfatter "Kjelstrup, Signe"
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Equilibrium properties of the reaction H2=2H by classical molecular dynamics simulations
Skorpa, Ragnhild; Simon, Jean-Marc; Bedeaux, Dick; Kjelstrup, Signe (Journal article; Peer reviewed, 2014)We have developed a classical molecular dynamics model for the hydrogen dissociation reaction, containing two- and three-particle potentials derived by Kohen, Tully and Stillinger. Two fluid densities were investigated for ... -
Exergy-based performance indicators for industrial practice
Magnanelli, Elisa; Berglihn, Olaf Trygve; Kjelstrup, Signe (Journal article, 2018)Key performance indicators (KPIs) are powerful tools that industries can use not only to monitor their activities but also to highlight their unexploited potential. Energy-based KPIs are nowadays mostly used to evaluate ... -
Exploring the potential for waste heat recovery during metal casting With thermoelectric generators: On-site experiments and mathematical modelling
Børset, Marit Takla; Wilhelmsen, Øivind; Kjelstrup, Signe; Burheim, Odne Stokke (Journal article; Peer reviewed, 2016)Thermoelectric power generators are scalable and simple systems for recovering waste-heat disposed by the industry. We combine on-site measurements and a mathematical model to study the potential for power generation with ... -
Finite-size effects of Kirkwood–Buff integrals from molecular simulations
Dawass, Noura; Kruger, Pieter; Schnell, Sondre Kvalvåg; Bedeaux, Dick; Kjelstrup, Signe; Simon, Jean Marc; Vlugt, Thijs (Journal article; Peer reviewed, 2017)The modelling of thermodynamic properties of liquids from local density fluctuations is relevant to many chemical and biological processes. The Kirkwood–Buff (KB) theory connects the microscopic structure of isotropic ... -
Flow Field Patterns for Proton Exchange Membrane (PEM) Fuel Cells
Sauermoser, Marco; Kizilova, Nataliya; Pollet, Bruno; Kjelstrup, Signe (Journal article; Peer reviewed, 2020)Flow field designs for the bipolar plates of the proton exchange membrane fuel cell are reviewed; including the serpentine, parallel, interdigitated, mesh type or their mixtures, furthermore 2D circular and 3D tubular ... -
Fluid-Fluid Interfaces of Multi-Component Mixtures in Local Equilibrium
Bedeaux, Dick; Kjelstrup, Signe (Journal article; Peer reviewed, 2018)We derive in a new way that the intensive properties of a fluid-fluid Gibbs interface are independent of the location of the dividing surface. When the system is out of global equilibrium, this finding is not trivial: In ... -
Gas electrodes with nickel based current collectors for molten carbonate electrolyte thermo-electrochemical cells
Kandhasamy, Sathiyaraj; Haarberg, Geir Martin; Kjelstrup, Signe; Solheim, Asbjørn (Journal article; Peer reviewed, 2019)Thermo-electrochemical cells with inexpensive molten carbonate electrolyte and (CO2|O2) gas electrodes allow the possible conversion of high temperature waste heat from industrial processes into electricity. The cell ... -
Harnessing thermoelectric power from transient heat sources: Waste heat recovery from silicon production
Savani, Isha; Waage, Magnus Heskestad; Børset, Marit Takla; Kjelstrup, Signe; Wilhelmsen, Øivind (Journal article; Peer reviewed, 2017)Thermoelectric generators (TEGs) are compact and robust devices for converting heat into electrical power. In this work, we investigate the response of a bismuth-telluride based TEG to the transient environment of a silicon ... -
Heat transport through a solid-solid junction: the interface as an autonomous thermodynamic system
Rurali, R.; Colombo, L.; Cartoixà, X.; Wilhelmsen, Øivind; Trinh, Thuat; Bedeaux, Dick; Kjelstrup, Signe (Journal article; Peer reviewed, 2016-04)We perform computational experiments using nonequilibrium molecular dynamics simulations, showing that the interface between two solid materials can be described as an autonomous thermodynamic system. We verify the local ... -
Hill's nano-thermodynamics is equivalent with Gibbs' thermodynamics for surfaces of constant curvatures
Bedeaux, Dick; Kjelstrup, Signe (Journal article; Peer reviewed, 2018)We review first how properties of curved surfaces can be studied using Hill’s thermodynamics, also called nano-thermodynamics. We proceed to show for the first time that Hill’s analysis is equivalent to Gibbs analysis for ... -
The Impact of Peltier and Dufour Coefficients on Heat Fluxes and Temperature Profiles in the Polymer Electrolyte Fuel Cells
Sauermoser, Marco; Kjelstrup, Signe; Pollet, Bruno (Peer reviewed; Journal article, 2020)We show that the coupling effects in non-equilibrium thermodynamics for heat-, mass- and charge- transport in the polymer electrolyte membrane fuel cell (PEMFC) all give significant contributions to local heat effects. The ... -
Influence of Electrode Gas Flow Rate and Solid Oxide Ratio in Electrolyte on the Seebeck Coefficient of Molten Carbonate Thermocell
Kandhasamy, Sathiyaraj; Calandrino, Luca; Burheim, Odne Stokke; Solheim, Asbjørn; Kjelstrup, Signe; Haarberg, Geir Martin (Journal article; Peer reviewed, 2017)Thermocells represent a promising way to utilize heat as a power source. The aim of this work is to develop a thermocell with identical gas electrodes using molten carbonate-based electrolytes. The cell can generate power ... -
The influence of interfacial transfer and film coupling in the modeling of distillation columns to separate nitrogen and oxygen mixtures
Kingston, Diego; Wilhelmsen, Øivind; Kjelstrup, Signe (Peer reviewed; Journal article, 2020)Coupling between heat and mass transfer occurs across interfaces and in vapor and liquid films. In this work, we present the first rigorous investigation of the role of these physical phenomena in the mathematical modeling ... -
Investigation of the Seebeck Effect and the Soret Effect in Ionic Systems Using Molecular Dynamics
Veie, Kristine (Master thesis, 2018)Molecular dynamics simulations were performed in order to investigate the Soret and Seebeck effect in an electrolyte solution consisting of LiCl and water. A pure water system was also constructed in order to study the ... -
Ionic liquids as thermoelectric converter materials
Roest, Didrik Lindberg (Master thesis, 2016)The interplay of heat flow and electrification phenomena at solid/fluid interfaces gives origin to intriguing effects such as Peltier's and Seebeck's, which is of great interest for applications such as production of ... -
A Legendre–Fenchel Transform for Molecular Stretching Energies
Bering, Eivind; Bedeaux, Dick; Kjelstrup, Signe; de Wijn, Astrid S.; Latella, Ivan; Rubi, Miguel (Peer reviewed; Journal article, 2020)Single-molecular polymers can be used to analyze to what extent thermodynamics applies when the size of the system is drastically reduced. We have recently verified using molecular-dynamics simulations that isometric and ... -
Lifetime of Li-ion Secondary Batteries and Measurement of Key Parameters for Internal Temperature Profile Assessment
Richter, Frank (Doctoral theses at NTNU;2019:46, Doctoral thesis, 2019)The thesis’ purpose was to contribute to the understanding of thermal gradients within Li-ion secondary batteries. A first step was the determination of thermal conductivities of various electrode materials and separators. ... -
Mechanical instability of monocrystalline and polycrystalline methane hydrates
Wu, Jianyang; Ning, Fulong; Trinh, Thuat; Kjelstrup, Signe; Vlugt, Thijs J.H.; He, Jianying; Skallerud, Bjørn Helge; Zhang, Zhiliang (Journal article; Peer reviewed, 2015)Despite observations of massive methane release and geohazards associated with gas hydrate instability in nature, as well as ductile flow accompanying hydrate dissociation in artificial polycrystalline methane hydrates ... -
Membrane processes relevant for the polymer electrolyte fuel cell
Kolstad, Aleksander (Master thesis, 2013)Research in the Proton Exchange Membrane Fuel Cell (PEMFC) is important toget an efficient fuel cell that can be used as an energy carrier, for example in thetransport sector. Understanding the different phenomena and ... -
Minimum entropy production in a distillation column for air separation described by a continuous non-equilibrium model
Kingston, Diego; Wilhelmsen, Øivind; Kjelstrup, Signe (Journal article; Peer reviewed, 2020)In this work, we apply the rate-based model of Taylor and Krishna to describe the separation of air in a low-pressure, packed distillation column. By use of numerical optimization, we identify the temperature profile for ...