Academic literature on the topic 'Structural kinetic modelling'
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Journal articles on the topic "Structural kinetic modelling"
Aftandiliants, Ye G. "Modelling of structure forming in structural steels." Naukovij žurnal «Tehnìka ta energetika» 11, no. 4 (September 10, 2020): 13–22. http://dx.doi.org/10.31548/machenergy2020.04.013.
Full textLiebermeister, Wolfram. "Structural Thermokinetic Modelling." Metabolites 12, no. 5 (May 11, 2022): 434. http://dx.doi.org/10.3390/metabo12050434.
Full textKorla, Kalyani, and Chanchal K. Mitra. "Kinetic modelling of mitochondrial translation." Journal of Biomolecular Structure and Dynamics 32, no. 10 (September 13, 2013): 1634–50. http://dx.doi.org/10.1080/07391102.2013.833135.
Full textTĂNASE, DOBRE, OANA CRISTINA PÂRVULESCU, and CRISTIAN RĂDUCANU. "Stochastic modelling of polysaccharide hydrolysis." Journal of Engineering Sciences and Innovation 3, no. 1 (January 10, 2018): 25–38. http://dx.doi.org/10.56958/jesi.2018.3.1.25.
Full textChristensen, F. R., G. Holm Kristensen, and J. la Cour Jansen. "Biofilm Structure – An Important and Neglected Parameter in Waste Water Treatment." Water Science and Technology 21, no. 8-9 (August 1, 1989): 805–14. http://dx.doi.org/10.2166/wst.1989.0283.
Full textHuang, P. Y. H., and Y. Ch Fu. "Modelling the kinetics of water loss during deep-fat frying of potato particulates." Czech Journal of Food Sciences 32, No. 6 (November 27, 2014): 585–94. http://dx.doi.org/10.17221/99/2014-cjfs.
Full textTelenius, Jelena, Anders E. Wallin, Michal Straka, Hongbo Zhang, Erika J. Mancini, and Roman Tuma. "RNA Packaging Motor: From Structure to Quantum Mechanical Modelling and Sequential-Stochastic Mechanism." Computational and Mathematical Methods in Medicine 9, no. 3-4 (2008): 351–69. http://dx.doi.org/10.1080/17486700802168502.
Full textХамидуллина, Зульфия Абударовна, Альбина Сабирьяновна Исмагилова, and Семен Израилевич Спивак. "Determination of the basis for nonlinear parametric functions of chemical reactions." Вычислительные технологии, no. 3 (July 15, 2020): 29–34. http://dx.doi.org/10.25743/ict.2020.25.3.004.
Full textKrayovskyy, Volodymyr, Volodymyr Pashkevych, Mariya Rokomanyuk, Petro Haranuk, Volodymyr Romaka, Yuriy Stadnyk, Lyubov Romaka, and Andriy Horyn. "KINETIC AND ENERGETIC PERFORMANCES OF THERMOMETRIC MATERIAL TiCo1-xMnxSb: MODELLING AND EXPERIMENT." Measuring Equipment and Metrology 82, no. 1 (2021): 19–25. http://dx.doi.org/10.23939/istcmtm2021.01.019.
Full textYang, Qi, Jie Dong, Tongju Xing, Yi Zhang, Yong Guan, Xiaoli Liu, Ye Tian, and Peng Yu. "RANS-Based Modelling of Turbulent Flow in Submarine Pipe Bends: Effect of Computational Mesh and Turbulence Modelling." Journal of Marine Science and Engineering 11, no. 2 (February 3, 2023): 336. http://dx.doi.org/10.3390/jmse11020336.
Full textDissertations / Theses on the topic "Structural kinetic modelling"
Garcia, Pereira Jose Carlos. "Atomistic modelling of the structure and kinetics of silica-based sol-gel processes." Thesis, University College London (University of London), 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.266429.
Full textErdös, Zoltan. "Modélisation couplée tectonique et processus de surface de l'extension et l'inversion dans les Pyrénées." Thesis, Grenoble, 2014. http://www.theses.fr/2014GRENU024/document.
Full textOrogenic belts are fundamental features of plate tectonics. The crustal structure of orogens around the world shows a wide range of deformation styles from narrow, asymmetric wedges like the Pyrenees to wide, plateau-like orogens such as the Zagros or the Himalaya. The primary controlling factor on the size and structure of an orogen is the amount of convergence between the colliding plates. However, there are important additional factors providing major controls on the structural development of orogens. Among the potential parameters that can affect the style of deformation are the crustal strength, inherited weaknesses, and the surface processes. These parameters have been studied extensively in the past but their relative importance remains unclear. The aim of this thesis is to improve our understanding of: (1) How surface processes affect mountain building, with a special focus on the relationship between thin-skinned foreland and thick-skinned internal deformation of orogens. (2) How inherited extensional structures affect mountain building. The study was carried out using the Pyrenees as a special reference case. To answer our research questions we have used a wide range of state-of-the-art numerical modelling tools. In paper 1 we present a new method where we couple a structural-kinematic model and a thermo-kinematic model to evaluate the consistency of existing balanced section reconstructions with independent thermochronology data. In papers 2 and 3 we use 2D lithospheric scale thermo-mechanical models with surface process algorithms. Using the above toolset, we demonstrate that syntectonic sedimentation results in longer basement thrust sheets as well as longer thin-skinned thrust sheets and a generally wider orogen. Conversely erosion tends to narrow the wedge and reduce the orogenic loading of the colliding plates, limiting the space available for deposition in the flexural foreland deeps. We also demonstrate that inherited extensional structures play a crucial role in mountain building as they facilitate the migration of deformation into the undeformed basement of the overriding plate. Moreover, a significant amount of lower-crustal/mantle-lithospheric material is preserved at shallow depths only in the presence of extensional inheritance, but significant erosion is needed in order to bring this material to the surface. Our models also show that thin-skinned thrust sheets are generally rooted in the footwall of basement thrusts as they form outward-propagating sequences. As soon as a new basement thrust forms, the thin-skinned sequence situated on top of the new basement thrust-sheet is abandoned in favour of starting a new sequence in the footwall of the new thrust. Regarding our case study, it was possible to reproduce the section restoration using a structural-kinematic model with high accuracy up to the 36-Ma time slice and with limited accuracy up to the 50-Ma time slice. The thermochronometric ages predicted by the thermo-kinematic modelling are generally in good agreement with both the high- and low-temperature thermochronology data available in the Central Pyrenees; hence we conclude that the restoration is to a first order consistent with these datasets. The predicted thermochronological ages approximate the available low-temperature thermochronology data better by taking into account the late-stage burial and re-excavation scenario affecting the southern flank of the Pyrenean wedge presented by Coney et al. (1996), and quantified by Fillon and van der Beek (2012). In conclusion, our model experiments suggest, that extensional inheritance played a prime role in the structural evolution of the Pyrenees, with the major characteristics of the North Pyrenean Unit, including the presence of steep, inverted normal faults, the relative tectonic quiescence of the area after the early inversion and the presence of a lower-crustal body at shallow depth below the unit, best recaptured by our accordion models
Steinmetz, Fabian. "Integration of data quality, kinetics and mechanistic modelling into toxicological assessment of cosmetic ingredients." Thesis, Liverpool John Moores University, 2016. http://researchonline.ljmu.ac.uk/4522/.
Full textPapadias, Dennis. "Mathematical Modelling of Structured Reactors with Emphasis on Catalytic Combustion Reactions." Doctoral thesis, Stockholm, 2001. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-3212.
Full textCipolletta, Mariasole. "Kinetic modelling and structure-reactivity study for the production of GVL from levulinic acid and its esters." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2019.
Find full textGutierrez, Acebo Ester. "Impact of the topology of the zeolite structure on the mechanism and selectivity of ethylcyclohexane bifunctional isomerization : experiments, ab initio calculations and multi-scale kinetic modelling." Thesis, Lyon, 2018. http://www.theses.fr/2018LYSE1240/document.
Full textThe paraxylene (pX), used in the manufacture of terephtalic acid for the production of nylon, is mainly produced by isomerization of the C8 aromatic cut. The latter is mainly composed of the three xylene isomers (para, ortho and meta) and ethylbenzene (EB). EB is converted into xylenes by mean of a bifunctional catalyst comprising both an acid function, such as EU-1 zeolite, and a hydro-dehydrogenating function (HD / DHD), such as platinum. The hydrogenation of EB also leads to the production of ethylcyclohexane, which can undergo undesired ring-opening and cracking reactions on the acid function of the catalyst. In this work, we tried to understand the factors influencing the selectivity of the bifunctional catalyst in the hydroconversion of ethylcyclohexane (ECH), and to identify very selective zeolitic acid phases. The effect of parameters such as the ratio and proximity between acid and HD / DHD sites, the location of acid sites within the zeolite network, and the topology of this zeolite network, was evaluated. Catalytic studies have been carried out over bifunctional catalysts series based on the EU-1 zeolite, and interpreted considering ab initio calculations focused on the isomerization and ring-opening mechanisms of ECH on the EU-1 acid phase. The integration of thermokinetic data (determined by ab initio calculations) in a mean field kinetic model made it possible to validate the approach and to identify the key reaction steps dictating the selectivity. A rational screening of zeolite structures was then proposed to identify the influential topological parameters
Kaganjo, James Chege. "Structure-function studies of 5-aminolevulinic acid (ALA) synthases." Bowling Green State University / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=bgsu1510583488812729.
Full textShukla, Deepak R. "Three-dimensional computational investigations of flow mechanisms in compound meandering channels." Thesis, Loughborough University, 2006. https://dspace.lboro.ac.uk/2134/8392.
Full textBouin, Emeric. "Propagation de fronts structurés en biologie - Modélisation et analyse mathématique." Thesis, Lyon, École normale supérieure, 2014. http://www.theses.fr/2014ENSL0960/document.
Full textThis thesis is devoted to the study of propagation phenomena in PDE models arising from biology. We study kinetic equations coming from the modeling of the movement of colonies of bacteria, but also reaction-diffusion equations which are of great interest in ecology to reproduce several features of dynamics and evolution of populations. The first part studies propagation phenomena for kinetic equations. We study existence and stability of travelling wave solutions for models where the dispersal part is given by an hyperbolic operator rather than by a diffusion. A set of admissible velocities comes into the game and we obtain various types of results depending on this set. In the case of a bounded set of velocities, we construct travelling fronts that propagate according to a speed given by a dispersion relation. When the velocity set is unbounded, we prove an accelerating propagation phenomena, for which we give the spreading rate. Then, we adapt to kinetic equations the Hamilton-Jacobi approach to front propagation. We show how to derive an effective Hamiltonian from the original kinetic equation, and prove some convergence results.The second part is devoted to studying models for populations structured by space and phenotypical trait. These models are important to understand interactions between invasion and evolution. We first construct travelling waves that we study qualitatively to show the influence of the genetical variability on the speed and the distribution of phenotypes at the edge of the front. We also perform the Hamilton-Jacobi approach for these non-local reaction-diffusion equations.Two appendices complete this work, one deals with the study of kinetic dispersal in unbounded domains, the other one being numerical aspects of competition models
Wang, Yanjun. "Production of γ-valerolactone from the hydrogenation of levulinic acid or alkyl levulinates : calorimetry and kinetic study Application of the concept of Linear Free Energy Relationships to the hydrogenation of levulinic acid and its corresponding esters Thermal risk assessment of levulinic acid hydrogenation to γ-valerolactone." Thesis, Normandie, 2020. http://www.theses.fr/2020NORMIR02.
Full textFossil energy plays a fondamental role in the economy, society and politics. Till now, different renewable energy are explored to be an alternative for energy supply, such as wind, solar, hydro and biomass energy. Among these renewable energy, biomass is regarded as the organic carbon source which can be applied for production of fuels, chemicals or materials. Among the bio-based chemicals, production of platform molecules such as levulinic acid (LA) and its esters is one of attractive way for biomass valorization. LA and its esters can be obtained through hydrolysis and alcoholysis of cellulose or hemicellulose. By further hydrogenation, γ-valerolactone (GVL) is produced and it is also regarded as a platform molecule for further upgrading to biofuels and chemicals with wide application. To scale-up the hydrogenation reaction and to find the optimum operating conditions towards safety and cost, the following questions must be answered : - What is the thermal risk of this reaction? ; - Which starting materials to choose (LA or esters)? ; - For a better energy integration of this process, how to measure the reaction enthalpies? Herein, at first, thermal risk assessment for hydrogenation of LA to GVL catalyzed by Ru/C in water was performed. A simplified kinetic model including energy balance under near-adiabatic conditions was developed to estimate the kinetic constants and thermal risk parameters of this reaction system. Through this thermal risk assessment, it was possible to know the safe operation conditions for this reaction system, i.e., preventing the risk of thermal runaway. Secondly, a structure-reactivity approach was carried out using the concept of Linear Free Energy Relationships (LFER). i.e., Taft equation. The Taft equation (LFER) was applied to hydrogenation of LA and its corresponding esters to GVL catalyzed over Ru/C. GVL was used as a solvent to allow the solubility of the different reactants, namely, LA, methyl levulinate (ML), ethyl levulinate (EL) and n-butyl levulinate (BL). It was demonstrated that the kinetics of the first step, i.e., hydrogenation of LA, ML, EL or BL to the corresponding intermediates and the kinetics of the second step, i.e., ring-closure follow Taft equation. The polar and steric effect of the substituents were evaluated, and it is shown that polar effect governs the kinetics of both reaction steps. Thirdly, the estimation of reaction enthalpies by calorimetry experiments was done. The estimation of such thermodynamic constants by using different thermodynamic models can be hazardous, because in this study GVL was used as a solvent and there are no data concerning the intermediates. Hydrogenation of methyl levulinate (ML) to GVL catalyzed over Ru/C was selected for this study. A method which links calorimetry measurement with composition analysis was developed to determine the reaction enthalpies of the overall reaction and two consecutive steps. It was found that the overall reaction enthalpy was -51.5 kJ/mol of GVL produced, which indicates that the reaction for production of GVL from ML is exothermic. The reaction enthalpy for the first hydrogenation step was calculated to be -58.66 kJ/mol of ML consumed, and for the reaction enthalpy for the second ring-closure step was calculated to be +7.16 kJ/mol of GVL produced
Book chapters on the topic "Structural kinetic modelling"
Leermakers, Frans A. M., and J. Mieke Kleijn. "Molecular Modelling of Biological Membranes: Structure and Permeation Properties." In Physicochemical Kinetics and Transport at Biointerfaces, 15–111. Chichester, UK: John Wiley & Sons, Ltd, 2004. http://dx.doi.org/10.1002/0470094044.ch2.
Full textIzadifar, Mohammadreza, Neven Ukrainczyk, Eduardus Koenders, K. M. Salah Uddin, and Bernhard Middendorf. "Portlandite dissolution: Part 2. Forward rates by Kinetic Monte Carlo (KMC)." In Computational Modelling of Concrete and Concrete Structures, 652–56. London: CRC Press, 2022. http://dx.doi.org/10.1201/9781003316404-78.
Full textAbu Bakar, Muhamad Husaini, Ahmad-Fazireen Ahmad-Fauzi, and Nor Liyana Maskuri. "Kinetic Modelling of a Particle Grinding Process in a Planetary Ball Mill Jar." In Advanced Structured Materials, 183–97. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-05621-6_16.
Full textAlex, Aleena, and Enrico Masoero. "Autogenous healing in cement: A kinetic Monte Carlo simulation of CaCO3 precipitation." In Computational Modelling of Concrete and Concrete Structures, 102–6. London: CRC Press, 2022. http://dx.doi.org/10.1201/9781003316404-12.
Full textYamanoi, Y., and K. Maekawa. "Transient shear band and its kinetics around interfaces of cementitious materials and soil/rock foundation." In Computational Modelling of Concrete and Concrete Structures, 381–88. London: CRC Press, 2022. http://dx.doi.org/10.1201/9781003316404-45.
Full textRanzi, Gianluca, Graziano Leoni, Raymond Ian Gilbert, Luigino Dezi, and Riccardo Zandonini. "State-of-the-art review on the time-dependent behaviour of composite steel-concrete beams." In Time-dependent behaviour and design of composite steel-concrete structures, 61–82. Zurich, Switzerland: International Association for Bridge and Structural Engineering (IABSE), 2021. http://dx.doi.org/10.2749/sed018.ch4.
Full textBecquet, M. "Direct and Inverse Dynamic Modelling for Complex Kinematic Structure Robots." In Robotics and Factories of the Future ’87, 389–95. Berlin, Heidelberg: Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73890-6_45.
Full textTönshoff, H. K., S. Rehling, and K. Tracht. "An Alternative Approach to Elasto-Kinematic Modelling of Machine Tool Structures." In AMST’02 Advanced Manufacturing Systems and Technology, 215–23. Vienna: Springer Vienna, 2002. http://dx.doi.org/10.1007/978-3-7091-2555-7_22.
Full textMilia, Alfonsa, and Maurizio Maria Torrente. "Genetically Linked Sedimentary Basins to Define a Kinematic Model of the Central Mediterranean Extension." In The Structural Geology Contribution to the Africa-Eurasia Geology: Basement and Reservoir Structure, Ore Mineralisation and Tectonic Modelling, 221–23. Cham: Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-030-01455-1_47.
Full textChen, Qing, Anders Engström, Lars Höglund, Henrik Strandlund, and Bo Sundman. "Thermo-Calc Program Interface and Their Applications - Direct Insertion of Thermodynamic and Kinetic Data into Modelling of Materials Processing, Structure and Property." In Materials Science Forum, 3145–48. Stafa: Trans Tech Publications Ltd., 2005. http://dx.doi.org/10.4028/0-87849-960-1.3145.
Full textConference papers on the topic "Structural kinetic modelling"
Martin, Blake, and Armaghan Salehian. "Vibration Modelling of String-Harnessed Beam Structures Using Homogenization Techniques." In ASME 2014 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/imece2014-37039.
Full textPacciani, Roberto, Michele Marconcini, Andrea Arnone, and Francesco Bertini. "A CFD Study of Low Reynolds Number Flow in High Lift Cascades." In ASME Turbo Expo 2010: Power for Land, Sea, and Air. ASMEDC, 2010. http://dx.doi.org/10.1115/gt2010-23300.
Full textTemesvari, E., B. Batki, and M. Gren. "Neutronic Methodological Benchmarks With Simplified Geometries for the Gas Cooled Reactor Group Constant Generating Tools." In 2018 26th International Conference on Nuclear Engineering. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/icone26-81427.
Full textHowell, Richard M., and Anthony D. Lucey. "Energy Production Characteristics of a Spring-Mounted Cantilevered-Free Flexible Plate in a Uniform Flow." In ASME 2012 Fluids Engineering Division Summer Meeting collocated with the ASME 2012 Heat Transfer Summer Conference and the ASME 2012 10th International Conference on Nanochannels, Microchannels, and Minichannels. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/fedsm2012-72071.
Full textFranitza, Daniel, and Timo Lichtneckert. "Fast Simulation of Nonlinear Compliant Mechanisms Using Convective Rate Formulation." In ASME 2005 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. ASMEDC, 2005. http://dx.doi.org/10.1115/detc2005-84286.
Full textZhang, Guangcheng, Yueh-Jaw Lin, and Christian Klumpner. "A Flow-Induced Structure-Based Kinetic Energy Harvester." In ASME 2017 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2017. http://dx.doi.org/10.1115/detc2017-67711.
Full textNizina, Tatyana, Dmitriy Nizin, Nadezhda Kanaeva, and Denis Artamonov. "Method for analyzing the kinetics of damage accumulation in the structure of polymer materials under tensile stresses." In 29TH RUSSIAN CONFERENCE ON MATHEMATICAL MODELLING IN NATURAL SCIENCES. AIP Publishing, 2021. http://dx.doi.org/10.1063/5.0059899.
Full textSAZHIN, SERGEI, and IRINA SHISHKOVA. "Kinetic and MD modelling of automotive fuel droplets heating and evaporation: recent results." In ILASS2017 - 28th European Conference on Liquid Atomization and Spray Systems. Valencia: Universitat Politècnica València, 2017. http://dx.doi.org/10.4995/ilass2017.2017.4593.
Full textNuzhnov, Yu V. "Testing the ASMTurb Method on the Example Modelling of the Budget Equation of Turbulent Kinetic Energy." In ASME 2014 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/imece2014-38022.
Full textCentea, Dan N., Herve Lacheray, Frederic Audren, Richard Teltz, and Mohamed A. Elbestawi. "Development of the TIARA Hexapod: A Machine Tool Based on Parallel Kinematic Structures." In ASME 1999 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 1999. http://dx.doi.org/10.1115/imece1999-0752.
Full textReports on the topic "Structural kinetic modelling"
Waganet, R. J., John Duxbury, Uri Mingelgrin, John Hutson, and Zev Gerstl. Consequences of Nonequilibrium Pesticide Fate Processes on Probability of Leaching from Agricultural Lands. United States Department of Agriculture, January 1994. http://dx.doi.org/10.32747/1994.7568769.bard.
Full textPerdigão, Rui A. P., and Julia Hall. Spatiotemporal Causality and Predictability Beyond Recurrence Collapse in Complex Coevolutionary Systems. Meteoceanics, November 2020. http://dx.doi.org/10.46337/201111.
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