Relevant bibliographies by topics / Dissociation modeling

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  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Dissociation modeling'

Author: Grafiati
Published: 6 September 2023
Last updated: 31 July 2025

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Journal articles on the topic "Dissociation modeling"

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Kulla, Patricia, Tina Braun, Tim Reichenberger, and Joachim Kruse. "Researching Shame, Dissociation, and Their Relationship Using Latent Change Modeling." Journal of Experimental Psychopathology 14, no. 2 (2023): 204380872311627. http://dx.doi.org/10.1177/20438087231162756.

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Shame and dissociation play pivotal roles in the pathogenesis and treatment of (complex) post-traumatic stress disorder. However, the causal relationship between these two symptoms remains unclear. We tested the association between state shame and state dissociation in 249 participants (Mage = 27.55; SDage = 8.74; 60.24% female; 84.7% no mental illness). After completing questionnaires (trait shame and dissociation, trauma history), participants were randomly allocated to an imaginative shame or dissociation induction group, and changes in state shame and dissociation were measured. The data w
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Bellezza, Francis S. "Modeling Guessing." Zeitschrift für Psychologie / Journal of Psychology 217, no. 3 (2009): 125–35. http://dx.doi.org/10.1027/0044-3409.217.3.125.

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Multinomial processing-tree modeling has had a major impact on process-dissociation theory. Buchner, Erdfelder, and Vaterrodt-Plünnecke (1995) added guessing parameters to the original model of Jacoby (1991) and created a class of process-dissociation models. Furthermore, Erfelder and Buchner (1998) formulated criterion values of the dual-process signal-detection model ( Yonelinas, 1994 ) as multinomial parameters. Buchner, Erdfelder, Steffens, and Martensen (1997) suggested a new approach by proposing a multinomial source-monitoring model for process-dissociation data. Two experiments describ
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Zaporozhets, E. P., and N. A. Shostak. "Mathematical modeling of some features of gas hydrates dissociation." Proceedings of the Voronezh State University of Engineering Technologies 80, no. 2 (2018): 313–22. http://dx.doi.org/10.20914/2310-1202-2018-2-313-322.

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In the modern oil and gas industry, specialists often have to solve multifaceted problems associated with processes of dissociation of technogenic and natural gas hydrates. Known methods of calculation and dissociation studies mainly describe this process with the supply to heat hydrate. However, when using the method of pressure reduction for dissociation, hydrate metastability states are manifested - self-preservation and conservation effects, discovered by Russian and foreign researchers. Available in the literature descriptions of the effects of metastability were obtained as a result of e
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Hueber, Amandine, Yves Gimbert, Geoffrey Langevin, et al. "Identification of bacterial lipo-amino acids: origin of regenerated fatty acid carboxylate from dissociation of lipo-glutamate anion." Amino Acids 54, no. 2 (2022): 241–50. http://dx.doi.org/10.1007/s00726-021-03109-1.

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AbstractThe identification of bacterial metabolites produced by the microbiota is a key point to understand its role in human health. Among them, lipo-amino acids (LpAA), which are able to cross the epithelial barrier and to act on the host, are poorly identified. Structural elucidation of few of them was performed by high-resolution tandem mass spectrometry based on electrospray combined with selective ion dissociations reach by collision-induced dissociation (CID). The negative ions were used for their advantages of yielding only few fragment ions sufficient to specify each part of LpAA with
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Liu, Zhiying, Qianghui Xu, Junyu Yang, and Lin Shi. "Pore-Scale Modeling of Methane Hydrate Dissociation Using a Multiphase Micro-Continuum Framework." Energies 16, no. 22 (2023): 7599. http://dx.doi.org/10.3390/en16227599.

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The development of methane hydrate extraction technology remains constrained due to the limited physical understanding of hydrate dissociation dynamics. While recent breakthroughs in pore-scale visualization techniques offer intuitive insights into the dissociation process, obtaining a profound grasp of the underlying mechanisms necessitates more than mere experimental observations. In this research, we introduce a two-phase micro-continuum model that facilitates the numerical simulation of methane hydrate dissociation at both single- and multiscale levels. We employed this numerical model to
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Schafer, Lothar, A. A. Ischenko, Yu A. Zhabanov, A. A. Otlyotov, and G. V. Girichev. "PHOTODISSOCIATION DYNAMICS OF SPATIALLY ALIGNED MOLECULES BY TIME-RESOLVED ELECTRON DIFFRACTION." IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENIY KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA 60, no. 3 (2017): 4. http://dx.doi.org/10.6060/tcct.2017603.5551.

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The anisotropic ensembles of laser-excited molecules can be formed, for example, under the action of fs pulses of polarized laser radiation. It was theoretically predicted that the electron diffraction pattern from aligned molecules in the gas phase allows determining not only internuclear distances but also valence angles that is 3D molecular structure. In the current article, we propose the basic elements of the theory that can be employed for analyze of time-resolved electron diffraction (TRED) data obtained from oriented/aligned laser-excited molecules. This formalism is applicable to diss
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Musakaev, N. G., S. L. Borodin, and D. S. Belskikh. "MATHEMATICAL MODELING OF HEATED GAS DISSOCIATION PROCESS INTO THE RESERVOIR SATURATED WITH METHANE AND ITS HYDRATE." Oil and Gas Studies, no. 4 (August 30, 2018): 68–74. http://dx.doi.org/10.31660/0445-0108-2018-4-68-74.

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The article presents the mathematical modeling of heated gas dissociation process into the reservoir saturated with methane and its hydrate. We studied how different factors has affected the dissociation process. The article shows that the gas hydrate dissociation in porous medium originates on a frontal border during the injection of heated gas.
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Ziółkowski, Marcin, Anna Vikár, Maricris Lodriguito Mayes, Ákos Bencsura, György Lendvay, and George C. Schatz. "Modeling the electron-impact dissociation of methane." Journal of Chemical Physics 137, no. 22 (2012): 22A510. http://dx.doi.org/10.1063/1.4733706.

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Rodgers, M. T., Kent M. Ervin, and P. B. Armentrout. "Statistical modeling of collision-induced dissociation thresholds." Journal of Chemical Physics 106, no. 11 (1997): 4499–508. http://dx.doi.org/10.1063/1.473494.

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Brübach, Lucas, Daniel Hodonj, Linus Biffar, and Peter Pfeifer. "Detailed Kinetic Modeling of CO2-Based Fischer–Tropsch Synthesis." Catalysts 12, no. 6 (2022): 630. http://dx.doi.org/10.3390/catal12060630.

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The direct hydrogenation of CO2 to long-chain hydrocarbons, so called CO2-based Fischer–Tropsch synthesis (FTS), is a viable future production route for various hydrocarbons used in the chemical industry or fuel applications. The detailed modeling of the reactant consumption and product distribution is very important for further process improvements but has gained only limited attention so far. We adapted proven modeling approaches from the traditional FTS and developed a detailed kinetic model for the CO2-FTS based on experiments with an Fe based catalyst in a lab-scale tubular reactor. The m
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Dissertations / Theses on the topic "Dissociation modeling"

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Guangliang, Chen. "The Dissociation of Metalloporphyrin Anions." Thesis, Université d'Ottawa / University of Ottawa, 2015. http://hdl.handle.net/10393/32517.

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ESI-MS spectra of Ni(II), Co(III), Mg(III), and Fe(II) porphyrin solutions in methanol show porphyrin monomer species with different charge states, such as [Ni(II)TPPS+H]3-, [Co(III)TPPS]3-, [Mn(III)TPPS]3-, [Mn(III)TPPS+H]2-, [Fe(II)TPPS+H]3-, and [Fe(II)TPPS+2H]2- ions. Collision-induced dissociation (CID) of these monomer species produced primarily losses of neutral SO3 and SO2. The mechanisms, in which these dissociation pathways took place, were investigated by the means of DFT calculations of the corresponding dissociation of neutral and ionized benzenesulfonate (B3-LYP/6-31+G(2d, p) lev
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Stevens, William R. Baer Tomas. "Modeling of complex ionic dissociation reactions observed by TPEPICO spectroscopy." Chapel Hill, N.C. : University of North Carolina at Chapel Hill, 2010. http://dc.lib.unc.edu/u?/etd,2947.

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Thesis (Ph. D.)--University of North Carolina at Chapel Hill, 2010.<br>Title from electronic title page (viewed Jun. 23, 2010). "... in partial fulfillment of the requirements for the degree of Doctor of Philosophy in the Department of Chemistry." Discipline: Chemistry; Department/School: Chemistry.
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Seffernick, Justin T. "In silico Modeling of Proteins using Surface-Induced Dissociation and Intrinsic Disorder." The Ohio State University, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=osu1618224430617038.

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Schunk, Lothar Oliver. "Solar thermal dissociation of zinc oxide : reaction kinetics, reactor design, experimentation, and modeling /." Zürich : ETH, 2008. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=18041.

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Baco, Sindi. "Kinetic modeling for levulinic acid esterification in gamma-Valerolactone taking into account acid dissociation." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2021.

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The first goal of this work is to demonstrate that using an aprotic polar solvent, such as γ- valerolactone instead of a protic polar solvent (i.e. ethanol, water), increases the yield of the esterification reaction of levulinic acid with ethanol, in presence of an acid catalyst. In fact, it is believed that an aprotic polar solvent can improve the catalytic activity of protons. The second goal is to study the influence of the variation of some parameters on the mentioned reaction. This was done by structuring the work in two sections: experimental and modelling. In the first section, two k
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Heiber, Michael C. "Dynamic Monte Carlo Modeling of Exciton Dissociation and Geminate Recombination in Organic Solar Cells." University of Akron / OhioLINK, 2012. http://rave.ohiolink.edu/etdc/view?acc_num=akron1353092083.

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Galper, Daniel I. "Bulimic Symptomatology in College Women: To What Degree are Hypnotizability, Dissociation, and Absorption of Relevance?" Diss., Virginia Tech, 1999. http://hdl.handle.net/10919/26811.

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Bulimia is often viewed as an extreme expression of eating concerns and body image disturbances that afflicts many adolescent and adult women. The cognitive strategies employed by individuals to inhibit eating and facilitate bingeing and purging are thought to include disattending internal sensations of hunger and satiety while sustaining attention on food, distorted beliefs, and interoceptive experiences (e.g., Heatherton & Baumeister, 1991). To the extent that these attentional and perceptual shifts mediate bulimic symptomatology, individuals with bulimic tendencies should exhibit certain co
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Mohamed, Sabria Emamer Mabruk. "Comparing CID Dissociation of PAH Ions with iPEPICO: Implications for the RRKM Modeling of CID Breakdown Diagrams." Thesis, Université d'Ottawa / University of Ottawa, 2016. http://hdl.handle.net/10393/35073.

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In the last several decades, polycyclic aromatic hydrocarbons (PAHs) have been the subject of extensive investigation due to their presumed abundance in the interstellar medium (ISM). My thesis concentrated on investigating the dissociation of ionized PAH molecules in the gas phase under similar conditions of the ISM. The twelve PAHs studied were naphthalene (NAP), anthracene (ANT), phenanthrene (PHN), cyclopenta[d,e,f] phenanthrene (CYC), pyrene (PYR), fluoranthene (FLN), perylene (PER) and coronene (COR). In addition, two dihydro PAHs were studied to examine potential intermediates in H2 cat
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Suriano, Antonio. "Quantum mechanical modeling of the chemical reactivity of metal surfaces: two case studies involving water formation and dissociation." Doctoral thesis, SISSA, 2007. http://hdl.handle.net/20.500.11767/3954.

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In the first chapter we present numerical methods to describe termally activated processes and particularly the nudged elastic band method (NEB) to find minimum energy paths (MEPs) on potential energy surface (PES). In the second chapter we study a case that demonstrates by means of ab-initio calculations that steps are more reactive than plain surfaces. Water dissociation activation barrier is computed lower on stepped Pt(211) and Pt(311) surfaces respect to clean Pt(111) surface. In the third chapter we investigate water formation on Rhodium surface at high oxygen coverage with the aim to
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Lee, Hong-Guann. "Mechanistic studies of cocrystal dissolution behavior." Diss., University of Iowa, 2015. https://ir.uiowa.edu/etd/5548.

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The objective of this study is to investigate cocrystal solubility and dissolution behavior to elucidate the factors affecting these processes in various media. Six cocrystals with xanthines (theophylline (THP), caffeine (CAF) and theobromine (THB)) were prepared and characterized by powder X-ray diffraction and thermal methods. Two cocrystals (CAFCA I and THBSA) are new solids and their crystal structures were determined by single crystal X-ray diffraction. Cocrystal solubility behavior depended on the dissolving complex solubility and its dissociation behavior in solution. Two THP cocrystals
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Books on the topic "Dissociation modeling"

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Harvey, Jonelle. Modelling the Dissociation Dynamics and Threshold Photoelectron Spectra of Small Halogenated Molecules. Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-02976-4.

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Harvey, Jonelle. Modelling the Dissociation Dynamics and Threshold Photoelectron Spectra of Small Halogenated Molecules. Springer London, Limited, 2013.

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Harvey, Jonelle. Modelling the Dissociation Dynamics and Threshold Photoelectron Spectra of Small Halogenated Molecules. Springer, 2013.

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Harvey, Jonelle. Modelling the Dissociation Dynamics and Threshold Photoelectron Spectra of Small Halogenated Molecules. Springer, 2016.

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Book chapters on the topic "Dissociation modeling"

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Gadoum, Abdelatif, Djilali Benyoucef, and Mohamed Habib Allah Lahoual. "1-D Fluid Modeling of Methane Dissociation in Radiofrequency Capacitively Coupled Plasma." In Renewable Energy for Smart and Sustainable Cities. Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-030-04789-4_55.

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Svandal, A., B. Kvamme, L. Granasy, and T. Pusztai. "Modeling the dissociation of carbon dioxide and methane hydrate using the Phase Field Theory." In Advances in Computational Methods in Sciences and Engineering 2005 (2 vols). CRC Press, 2022. http://dx.doi.org/10.1201/9780429077166-129.

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Gong, Shanggui, Jörn Peckmann, and Dong Feng. "Stable Isotope Signatures of Authigenic Minerals from Methane Seeps." In South China Sea Seeps. Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-99-1494-4_9.

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AbstractAuthigenic minerals forming at marine seeps constitute an excellent archive of past methane seepage and biogeochemical processes. Over the past two decades, authigenic carbonate and sulfur-bearing minerals from methane seeps of the South China Sea (SCS) have been widely investigated, providing insight into fluid sources and seepage dynamics and facilitating the establishment of geochemical proxies to trace sulfate-driven anaerobic oxidation of methane (SD-AOM). Authigenic carbonates from all seep sites in the SCS commonly exhibit low δ13C and high δ18O values, confirming the incorporat
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Lyabakh, Katherine G., and Irina N. Mankovskaya. "Computer Modeling of Relationship Between Critical PVO2, VO2max and Blood Supply of Skeletal Muscle at Working with a Right-Shifted Blood O2 Dissociation Curve." In Oxygen Transport to Tissue XXIV. Springer US, 2003. http://dx.doi.org/10.1007/978-1-4615-0075-9_28.

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Miklavc, Adolf, and Darko Kocjan. "Drug-receptor dissociation time: Its dependence on the structure." In Trends in QSAR and Molecular Modelling 92. Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1472-1_53.

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Durup, Jean, and Fabienne Alary. "Molecular Dynamics Study of the Dissociation of an Antigen—Antibody Complex in Solution." In Modelling of Biomolecular Structures and Mechanisms. Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-011-0497-5_14.

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Kocjana, Darko, and Adolf Miklavc. "Conformational analysis of some fentanyl derivatives in relation to the drug-receptor dissociation rate." In Trends in QSAR and Molecular Modelling 92. Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1472-1_107.

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Gross, Axel, and Matthias Scheffler. "Steering and Isotope Effects in the Dissociative Adsorption of H2/Pd(100)." In Frontiers in Materials Modelling and Design. Springer Berlin Heidelberg, 1998. http://dx.doi.org/10.1007/978-3-642-80478-6_32.

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Josyula, E., and W. F. Bailey. "Modelling dissociation in hypersonic blunt body and nozzle flows in thermochemical nonequilibrium." In Shock Waves. Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-540-85168-4_105.

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"Association and Dissociation Kinetics." In Geochemical and Biogeochemical Reaction Modeling, 3rd ed. Cambridge University Press, 2021. http://dx.doi.org/10.1017/9781108807005.026.

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Conference papers on the topic "Dissociation modeling"

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Engelhardt, G. R., and D. D. Macdonald. "Modeling Corrosion Fatigue Crack Propagation." In CORROSION 2001. NACE International, 2001. https://doi.org/10.5006/c2001-01115.

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Abstract A mathematical model is proposed for modeling the chemistry and the potential distribution in a corrosion fatigue crack, along with the crack propagation rate, in sensitized stainless steel in boiling water reactor (BWR) coolant environments. Mass transport by diffusion, ion migration, and convection (due to movement of crack walls) was considered. Anodic and cathodic processes, hydrolysis, oxide solubility, and water dissociation are included in the model. The model takes into account oxygen transport and depletion in the crack and transport processes in the external environment, and
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Yang, Mei, Xiaolan Wang, and Richard D. Sisson. "Modeling the Gas Nitriding Process for Steels." In HT 2013, edited by B. Lynn Ferguson. ASM International, 2013. https://doi.org/10.31399/asm.cp.ht2013p0166.

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Abstract This paper describes the development of a simulation program to model gas nitriding processes for steels and replace traditional trial-and-error methods that are expensive, time-consuming, and often inaccurate. The authors introduce a compound layer growth model that simulates key nitriding outcomes, including phase composition, compound layer thickness, and nitrogen concentration profiles based on process parameters (temperature, time, and nitriding potential or dissociation rate). The model employs computational thermodynamics to construct alloy-specific Lehrer diagrams that describ
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Engelhardt, G. R., and D. D. Macdonald. "Modeling of Corrosion Fatigue Chemistry in Sensitized Stainless Steel in Boiling Water Reactor Environments." In CORROSION 2000. NACE International, 2000. https://doi.org/10.5006/c2000-00227.

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Abstract A simplified method is proposed for modeling the chemistry and potential distribution in a corrosion fatigue crack in sensitized stainless steel in boiling water reactor (BWR) coolant environments. Mass transport by diffusion, ion migration and convection due to movement of crack walls was considered. Anodic and cathodic processes, hydrolysis, oxide solubility, and water dissociation have been included in the model. The model takes into account transport processes in the external environment and recognizes that the specific rate (rate per unit area) of metal dissolution at the crack t
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Achour, Mohsen H., Juri Kelts, A. H. Johannes, and Guahai Liu. "Mechanistic Modeling of Pit Propagation in CO2 Environment under High Turbulence Effects." In CORROSION 1993. NACE International, 1993. https://doi.org/10.5006/c1993-93087.

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Abstract Pitting corrosion of carbon steel in CO2 environments occurs mostly in high turbulence regimes. Several experimental investigations have been conducted to achieve a better understanding of the complex phenomenon of flow induced localized attack. In this work, a theoretical model is developed to predict the extent of pit propagation under the effects of high turbulence regimes. Given the flow conditions in the main stream and an initial shape of a pit along the pipe wall, the model predicts the hydrodynamics inside the cavity and its extent of propagation or repassivation. It takes int
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Srinivasan, Sridhar, Winston Robbins, and Gerrit Buchheim. "Quantifying Effect of Hydrogen and Sulfur in Mitigating Free Fatty Acid Corrosion in Renewable Diesel Applications." In CONFERENCE 2024. AMPP, 2024. https://doi.org/10.5006/c2024-20864.

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Abstract Production of Renewable Diesel (RD) and Sustainable Aviation Fuels (SAF) from bio / natural oils has seen significant investment in recent years, stemming from worldwide government mandated need to reduce fossil fuel CO2 emissions. New investments have occurred in retrofitting / adapting existing refinery hydroprocessing infrastructure to process natural oils or coprocess natural oils blended with crudes to produce RD and SAF. This stems from the fact that natural oils have the hydrocarbon (HC) structures to fit within the mid-distillate fuel product such as diesel and aviation fuel a
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Martynov, P., and O. Matvienko. "MATHEMATICAL MODELING OF DISSOCIATION AND HEAT EXCHANGE PROCESSES IN A GAS FLOW." In The XXXI International Symposium "Atmospheric and Ocean Optics. Atmospheric Physics". V.E. Zuev Institute of Atmospheric Optics, Siberian Branch of the Russian Academy of Sciences, 2025. https://doi.org/10.56820/conferencearticle_685d0a9e23ec14.85626811.

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A mathematical model of heat transfer processes in a cylindrical channel with a turbulent flow of dinitrogen tetroxide is presented in this paper. Increased wall temperatures enhance chemical reactions in the flow and increase thermal energy absorption. A reacting flow has a lower temperature near the wall than an inert coolant. Studies have shown that increasing flow velocity decreases dissociation. In extended channels, dissociating gas is most efficient at low flow rates. This coolant is ineffective at low wall temperatures.
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Josyula, Eswar, William Bailey, and V. S. Gudimetla. "Modeling of Thermal Dissociation in Nonequilibrium Hypersonic Flows." In 9th AIAA/ASME Joint Thermophysics and Heat Transfer Conference. American Institute of Aeronautics and Astronautics, 2006. http://dx.doi.org/10.2514/6.2006-3421.

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Shatalov, Oleg, Stalii Losev, Oleg Shatalov, and Stalii Losev. "Modeling of diatomic molecules dissociation under quasistationary conditions." In 32nd Thermophysics Conference. American Institute of Aeronautics and Astronautics, 1997. http://dx.doi.org/10.2514/6.1997-2579.

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Selim, M. S., and E. D. Sloan. "Modeling of the Dissociation of an In-Situ Hydrate." In SPE California Regional Meeting. Society of Petroleum Engineers, 1985. http://dx.doi.org/10.2118/13597-ms.

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Josyula, Eswar, William Bailey, and Casimir Suchyta. "State-Specific Dissociation Modeling in Hypersonic Blunt Body Flow." In 47th AIAA Aerospace Sciences Meeting including The New Horizons Forum and Aerospace Exposition. American Institute of Aeronautics and Astronautics, 2009. http://dx.doi.org/10.2514/6.2009-1579.

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Reports on the topic "Dissociation modeling"

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Hill, Christian. Consultancy Meeting on Evaluation of Fundamental Data on Beryllium-containing Species for Edge Plasma Modelling. IAEA Nuclear Data Section, 2020. http://dx.doi.org/10.61092/iaea.t5at-c64q.

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Beryllium is a major plasma-facing material in the ITER fusion energy research reactor, where 440 beryllium-coated panels form the first wall (FW) of the vacuum reactor vessel. It is expected that plasma–wall interactions will result in the creation of a complex mixture of atomic, ionic and molecular species containing He, Be and isotopes of H. The aim of this meeting was to advise the IAEA Atomic and Molecular Data Unit on the data required for modelling edge plasma processes in fusion devices and to recommend state-resolved data sets for electron-collision excitation, de-excitation and disso
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Juanes, Ruben. Fate of Methane Emitted from Dissociating Marine Hydrates: Modeling, Laboratory, and Field Constraints. Office of Scientific and Technical Information (OSTI), 2018. http://dx.doi.org/10.2172/1439826.

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Anderson, B., I. Dubourg, T. S. Collett, and R. E. Lewis. Modelling the response of the Cased Hole Formation Resistivity tool in order to determine the depth of gas hydrate dissociation during the thermal test in the JAPEX/JNOC/GSC et al. Mallik 5L-38 gas hydrate production research well. Natural Resources Canada/ESS/Scientific and Technical Publishing Services, 2005. http://dx.doi.org/10.4095/221041.

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