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Dissertations / Theses on the topic 'Stochastic Simulation of Chemical Reactions'

Author: Grafiati

Published: 4 June 2021

Last updated: 1 February 2022

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1

Dao, Duc Khanh. "Modeling and analysis of neuronal networks, stochastic chemical reactions in cellular micro-domains and telomere dynamics." Paris 6, 2013. http://www.theses.fr/2013PA066513.

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Nous modélisons différents évènements aléatoires intervenant en biologie. Dans une première partie, on étudie certaines propriétés de populations de neurones. En utilisant un modèle de facilitation dépression synaptique, on étudie le phénomène de bursts synchrones observés à différentes échelles de populations. On étudie ensuite la transition entre état haut et bas de neurones induite par le bruit. Afin de comprendre le phénomène d’oscillations du temps de séjour dans l’état haut, onétudie le problème de premier temps de passage pour une classe de processus stochastiquesdans un domaine avec un

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2

Hellander, Andreas. "Multiscale Stochastic Simulation of Reaction-Transport Processes : Applications in Molecular Systems Biology." Doctoral thesis, Uppsala universitet, Avdelningen för teknisk databehandling, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-152098.

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Quantitative descriptions of reaction kinetics formulated at the stochastic mesoscopic level are frequently used to study various aspects of regulation and control in models of cellular control systems. For this type of systems, numerical simulation offers a variety of challenges caused by the high dimensionality of the problem and the multiscale properties often displayed by the biochemical model. In this thesis I have studied several aspects of stochastic simulation of both well-stirred and spatially heterogenous systems. In the well-stirred case, a hybrid method is proposed that reduces the

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3

Zavar, Moosavi Azam Sadat. "Probabilistic and Statistical Learning Models for Error Modeling and Uncertainty Quantification." Diss., Virginia Tech, 2018. http://hdl.handle.net/10919/82491.

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Simulations and modeling of large-scale systems are vital to understanding real world phenomena. However, even advanced numerical models can only approximate the true physics. The discrepancy between model results and nature can be attributed to different sources of uncertainty including the parameters of the model, input data, or some missing physics that is not included in the model due to a lack of knowledge or high computational costs. Uncertainty reduction approaches seek to improve the model accuracy by decreasing the overall uncertainties in models. Aiming to contribute to this area,

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4

Shepherd, Tricia D. "Models for chemical processes : activated dynamics across stochastic potentials." Diss., Georgia Institute of Technology, 2002. http://hdl.handle.net/1853/27062.

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5

Wu, Wenwei. "Chemical reactions in turbulence : numerical studies through direct numerical simulations." Thesis, Littoral, 2021. http://www.theses.fr/2021DUNK0577.

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Le présent travail se concentre sur les propriétés statistiques des scalaires réactifs subissant des réactions chimiques réversibles en turbulence incompressible. Une analyse théorique des propriétés statistiques des scalaires à différents ordres de moments a été réalisée sur la base d'approximations et de modèles convenablement proposés. Les résultats théoriquement dérivés ont ensuite été comparés aux résultats numériques obtenus par simulation numérique directe (DNS). Dans la simulation numérique directe, les dérivés spatiales ont été principalement approximées en utilisant une méthode pseud

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6

Ulissi, Zachary Ward. "Modeling and simulation of stochastic phenomena in carbon nanotube-based single molecule sensors." Thesis, Massachusetts Institute of Technology, 2015. http://hdl.handle.net/1721.1/98716.

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Thesis: Ph. D., Massachusetts Institute of Technology, Department of Chemical Engineering, 2015.<br>Cataloged from PDF version of thesis.<br>Includes bibliographical references (pages 199-218).<br>Shrinking sensors to the nanoscale introduces novel selectivity mechanisms and enables the ultimate sensitivity limit, single-molecule detection. Single-walled carbon nanotubes, with a bright fluorescence signal and no photobleaching, are a platform for implantable near-IR sensors capable of selectively detecting a range of small-molecules including the radical signalling molecule nitric oxide, the h

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7

Sun, Guangyuan. "Stochastic Simulation of Lagrangian Particle Transport in Turbulent Flows." BYU ScholarsArchive, 2015. https://scholarsarchive.byu.edu/etd/5838.

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This dissertation presents the development and validation of the One Dimensional Turbulence (ODT) multiphase model in the Lagrangian reference frame. ODT is a stochastic model that captures the full range of length and time scales and provides statistical information on fine-scale turbulent-particle mixing and transport at low computational cost. The flow evolution is governed by a deterministic solution of the viscous processes and a stochastic representation of advection through stochastic domain mapping processes. The three algorithms for Lagrangian particle transport are presented within t

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8

de, Roulhac Selma Lee. "COMPARISON OF CHEMICAL PROCESS SIMULATION PROGRAMS FOR EDUCATION." Thesis, The University of Arizona, 1985. http://hdl.handle.net/10150/275282.

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9

Greenfield, Daniel Leo Computer Science &amp Engineering Faculty of Engineering UNSW. "New and hybrid methods for simulating biochemical systems." Awarded by:University of New South Wales. Computer Science and Engineering, 2006. http://handle.unsw.edu.au/1959.4/23990.

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It is a dream of Systems-Biology to efficiently simulate an entire cell on a computer. The potential medical and biological applications of such a tool are immense, and so are the challenges to accomplish it. At the level of a cell, the number of reacting molecules is so low that stochastic effects can be crucial in deciding the system-level behaviour of the cell. Despite the recent development of many new and hybrid stochastic approaches, exact stochastic simulation algorithms are still needed, and are widely employed in most current biochemical simulation packages. Unfortunately, the perform

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10

Nair, Nitish. "Theoretical and simulation tools for electron transfer and chain reactions in single walled carbon nanotubes." Thesis, Massachusetts Institute of Technology, 2009. http://hdl.handle.net/1721.1/51630.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, 2009.<br>Includes bibliographical references (p. 124-130).<br>Single walled carbon nanotubes (SWNT) are cylindrical sheets of graphene whose electronic structures and diameters are determined by their chiralities. Current synthetic methods produce batches of nanotubes containing a variety of electronic properties. The separation of these mixtures into semiconductors and metals will greatly enhance their utility for nanoelectronic devices. Progress has been achieved in this area at the laboratory scale throug

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11

Szekely, Tamas. "Stochastic modelling and simulation in cell biology." Thesis, University of Oxford, 2014. http://ora.ox.ac.uk/objects/uuid:f9b8dbe6-d96d-414c-ac06-909cff639f8c.

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Modelling and simulation are essential to modern research in cell biology. This thesis follows a journey starting from the construction of new stochastic methods for discrete biochemical systems to using them to simulate a population of interacting haematopoietic stem cell lineages. The first part of this thesis is on discrete stochastic methods. We develop two new methods, the stochastic extrapolation framework and the Stochastic Bulirsch-Stoer methods. These are based on the Richardson extrapolation technique, which is widely used in ordinary differential equation solvers. We believed that i

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12

Banda, Peter. "Novel Methods for Learning and Adaptation in Chemical Reaction Networks." PDXScholar, 2015. https://pdxscholar.library.pdx.edu/open_access_etds/2329.

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State-of-the-art biochemical systems for medical applications and chemical computing are application-specific and cannot be re-programmed or trained once fabricated. The implementation of adaptive biochemical systems that would offer flexibility through programmability and autonomous adaptation faces major challenges because of the large number of required chemical species as well as the timing-sensitive feedback loops required for learning. Currently, biochemistry lacks a systems vision on how the user-level programming interface and abstraction with a subsequent translation to chemistry shou

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13

Pourian, Bijan. "ANALYZING THE HYDRO DYNAMICS AND THE CHEMICAL REACTIONS IN PULP DIGESTER SYSTEMS USING CFD MODELLING." Doctoral thesis, Mälardalens högskola, Akademin för hållbar samhälls- och teknikutveckling, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:mdh:diva-6652.

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The aim of this thesis is to use differential analysis and finite volume method (FVM) to model and analyze a continuous pulp digester in order to create a detailed picture of the flow behaviour and chemical reactions in the digester. This information will be used to optimize wood chip flow and reactions and to diagnose and avoid faults such as hang-ups and channelling. As digesters increase in size, the importance of control of the liquor flow in the wood chip bed also increases. Pulping reactors are often faced with production disturbances that cause reduced fibre quality, non-uniform chemica

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14

Zhang, Jingwei. "Numerical Methods for the Chemical Master Equation." Diss., Virginia Tech, 2009. http://hdl.handle.net/10919/30018.

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The chemical master equation, formulated on the Markov assumption of underlying chemical kinetics, offers an accurate stochastic description of general chemical reaction systems on the mesoscopic scale. The chemical master equation is especially useful when formulating mathematical models of gene regulatory networks and protein-protein interaction networks, where the numbers of molecules of most species are around tens or hundreds. However, solving the master equation directly suffers from the so called "curse of dimensionality" issue. This thesis first tries to study the numerical properties

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15

Yilmaz, Bulent. "Stochastic Approach To Fusion Dynamics." Phd thesis, METU, 2007. http://etd.lib.metu.edu.tr/upload/12608517/index.pdf.

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This doctoral study consists of two parts. In the first part, the quantum statistical effects on the formation process of the heavy ion fusion reactions have been investigated by using the c-number quantum Langevin equation approach. It has been shown that the quantum effects enhance the over-passing probability at low temperatures. In the second part, we have developed a simulation technique for the quantum noises which can be approximated by two-term exponential colored noise.

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16

Bilyeu, David Lawrence. "Numerical Simulation of Chemical Reactions Inside a Shock-Tube by the Space-Time Conservation Element and Solution Element Method." The Ohio State University, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=osu1213363652.

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17

Kumar, Ankan. "Physical Models and Computational Algorithms for Simulation of Catalytic Monolithic Reactors." The Ohio State University, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=osu1230142666.

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18

Anderson, Paul E. "A computational framework for analyzing chemical modification and limited proteolysis experimental data used for high confidence protein structure prediction." Wright State University / OhioLINK, 2006. http://rave.ohiolink.edu/etdc/view?acc_num=wright1161891355.

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19

香里, 藤井, and Kaori Fujii. "Time-resolved spectroscopic study on fundamental chemical reactions in a unique class of solvents." Thesis, https://doors.doshisha.ac.jp/opac/opac_link/bibid/BB13158494/?lang=0, 2021. https://doors.doshisha.ac.jp/opac/opac_link/bibid/BB13158494/?lang=0.

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多数の溶媒分子に取り囲まれている溶液中において溶質分子の化学反応素過程を考える場合、溶媒分子による反応の平衡論的、動的な効果を考える必要がある。本研究では、ユニークな反応場として水や有機溶媒とは区別される、超臨界流体とイオン液体をとり上げ、溶質分子のプロトン移動反応、光解離反応について、時間分解レーザー分光と分子動力学計算、理論的解析を行い、その現象を明らかにする試みをおこなった。<br>In solution, solvent molecules involve chemical reaction of solute molecules and could alter both reaction yield and kinetics. In this thesis, the author focused on fundamental chemical reactions (intermolecular proton transfer and photodissociate reaction) in a unique class of solvents, supercritical fluids and ionic liquids. By measuring time-resolved fluorescence spectrum and transient absorption s

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20

Lobb, Kevin Alan. "Camphor derivatives in asymmetric synthesis: a synthetic, mechanistic and theoretical study." Thesis, Rhodes University, 2008. http://hdl.handle.net/10962/d1006770.

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A series of 3,3-ethylenedioxy-exo- and endo- bornyl esters have been prepared and subjected to α-benzylation using lithium diisopropylamide and benzyl bromide. In the exo-series of esters the diastereofacial selectivity of benzylation was found to improve (up to 34% d.e.) as the steric bulk of the O-alkyl group increased, whereas in the endo-series, a surprising decrease in stereoselectivity was observed as the steric bulk increased – an observation attributed to flexibility of the metal-coordinated endo-enolate system, compared to the relative rigidity of the exo analogues. The conformational

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21

Hamidouche, Ziad. "Modeling and numerical simulation of coupled reactive fluidized beds in a Chemical Looping Combustion system." Phd thesis, Toulouse, INPT, 2017. http://oatao.univ-toulouse.fr/17921/1/hamidouche.pdf.

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In this work, reactive unsteady three-dimensional numerical simulations of a Chemical Looping Combustion (CLC) plant are performed. The plant is a 120 kWth pilot working with Ca-Mn-based material as selected oxygen carrier. Numerical simulations are performed by NEPTUNE_CFD code using an Euler-Euler approach which computes both the gas and the solid phases in an Eulerian fashion accounting for specific closures in order to model interphase mass, momentum and energy transfers. Reduction and oxidation heterogeneous (i.e. gas-solid) reactions are modeled by means of a grain model (shrinking core

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22

Souza, Vinicius Theodoro de. "Desenvolvimento de um simulador de reatores agitados para etoxilações de álcoois carboxílicos." Universidade de São Paulo, 2007. http://www.teses.usp.br/teses/disponiveis/3/3152/tde-18112010-121843/.

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A reação de óxido de etileno com substratos orgânicos é um dos principais processos empregados na obtenção de tensoativos. Apesar da grande importância comercial dessas reações, ainda existe muito a se explorar sobre o assunto. As publicações encontradas em geral tratam somente do estudo da cinética dessa reação, e existem poucos trabalhos sobre a aplicação dessas leis cinéticas e de solubilidade em reatores comerciais, de forma a estudar o mecanismo da reação integrado aos diferentes equipamentos usados nas plantas químicas. O principal objetivo desse trabalho consiste no desenvolvimento de u

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23

Argoti, Caicedo Alvaro Andres. "Linear and non-linear mechanistic modeling and simulation of the formation of carbon adsorbents." Diss., Manhattan, Kan. : Kansas State University, 2007. http://hdl.handle.net/2097/279.

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24

Mertz, Helene. "Modélisation des réactions chimiques dans un code de simulation par la méthode Monte Carlo." Thesis, Université Paris-Saclay (ComUE), 2019. http://www.theses.fr/2019SACLV012/document.

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Les méthodes Direct Simulation Monte Carlo (DSMC) sont utilisées par Ariane group pour calculer les torseurs d'efforts aérodynamiques et les flux thermiques sur les engins spatiaux pour des écoulements hypersoniques en milieu raréfié.Afin de pouvoir caractériser la dislocation des étages de lanceurs et donc l'empreinte de retombée de débris, une modélisation précise des mécanismes générateurs de flux thermiques est nécessaire. Les réactions chimiques étant dimensionnantes pour le calcul du flux thermique, l'objectif de cette thèse est de développer l'outil de calcul avec la méthode DSMC nommé

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25

Glavatskikh, Marta. "Modeling and visualization of complex chemical data using local descriptors." Thesis, Strasbourg, 2018. http://www.theses.fr/2018STRAF008/document.

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Cette étude considère des systèmes où non seulement la structure moléculaire, mais les conditions expérimentales sont impliquées. Les structures chimiques ont été codées par des descripteurs locaux ISIDA MA ou ISIDA CGR, ciblant spécifiquement les centres actifs et leur environnement le plus proche. Les descripteurs locaux ont été combinés avec les paramètres spécifiques des conditions expérimentales, codant ainsi un objet chimique particulier. La méthodologie a été appliquée avec succès pour la modélisation QSPR des paramètres thermodynamiques et cinétiques des interactions intermoléculaires

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Abdennur, Nezar A. "A Framework for Individual-based Simulation of Heterogeneous Cell Populations." Thèse, Université d'Ottawa / University of Ottawa, 2011. http://hdl.handle.net/10393/20478.

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An object-oriented framework is presented for developing and simulating individual-based models of cell populations. The framework supplies classes to define objects called simulation channels that encapsulate the algorithms that make up a simulation model. These may govern state-updating events at the individual level, perform global state changes, or trigger cell division. Simulation engines control the scheduling and execution of collections of simulation channels, while a simulation manager coordinates the engines according to one of two scheduling protocols. When the ensemble of cells bei

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27

Dolgov, Sergey. "Tensor product methods in numerical simulation of high-dimensional dynamical problems." Doctoral thesis, Universitätsbibliothek Leipzig, 2014. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-151129.

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Quantification of stochastic or quantum systems by a joint probability density or wave function is a notoriously difficult computational problem, since the solution depends on all possible states (or realizations) of the system. Due to this combinatorial flavor, even a system containing as few as ten particles may yield as many as $10^{10}$ discretized states. None of even modern supercomputers are capable to cope with this curse of dimensionality straightforwardly, when the amount of quantum particles, for example, grows up to more or less interesting order of hundreds. A traditional approach

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28

Trimeloni, Thomas. "Accelerating Finite State Projection through General Purpose Graphics Processing." VCU Scholars Compass, 2011. http://scholarscompass.vcu.edu/etd/175.

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The finite state projection algorithm provides modelers a new way of directly solving the chemical master equation. The algorithm utilizes the matrix exponential function, and so the algorithm’s performance suffers when it is applied to large problems. Other work has been done to reduce the size of the exponentiation through mathematical simplifications, but efficiently exponentiating a large matrix has not been explored. This work explores implementing the finite state projection algorithm on several different high-performance computing platforms as a means of efficiently calculating the matr

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29

Mathey, Fabrice. "Ecoulements cisaillés réactifs : étude par modélisation sous-maille du mélange et simulation numérique des grandes échelles." Université Joseph Fourier (Grenoble), 1997. http://www.theses.fr/1997GRE10215.

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Le formalisme de la simulation des grandes echelles (les) pour l'etude des ecoulements turbulents est presente. Des tests, en configuration de turbulence homogene isotrope et de couche de melange temporelle, mettent en evidence le comportement des differents modeles de viscosite turbulente vis-a-vis de la dissipation generee par les correcteurs de flux du schema ppm. Une solution est proposee permettant d'eviter une dissipation numerique trop importante pour les ecoulements en turbulence developpee et d'eviter le developpement d'instabilites numeriques dues aux conditions initiales. Les modele

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30

Gimadiev, Timur. "Modèles prédictifs pour les paramètres cinétiques et thermodynamiques des réactions chimiques." Thesis, Strasbourg, 2018. http://www.theses.fr/2018STRAF007/document.

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Ce travail est consacré à la modélisation QSPR des propriétés cinétiques et thermodynamiques des réactions chimiques à l'aide de l'approche Graphe Condensé de Réaction (CGR). Le CGR permet de coder des structures de réactifs et de produits en un seul graphe moléculaire pour lequel des descripteurs moléculaires peuvent être générés.Une base de données contenant plus de 11000 réactions collectées manuellement a été développée puis utilisée dans la modélisation. Les modèles prédictifs ont été construits pour les constantes de vitesse de réactions Diels-Alder, SN2 et E2 ainsi que pour les constant

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31

Pereira, De Oliveira Luís Carlos. "Développement d'une méthodologie de modélisation cinétique de procédés de raffinage traitant des charges lourdes." Phd thesis, Ecole normale supérieure de lyon - ENS LYON, 2013. http://tel.archives-ouvertes.fr/tel-00839871.

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Une nouvelle méthodologie de modélisation cinétique des procédés de raffinage traitant les charges lourdes a été développée. Elle modélise, au niveau moléculaire, la composition de la charge et les réactions mises en œuvre dans le procédé.La composition de la charge est modélisée à travers un mélange de molécules dont les propriétés sont proches de celles de la charge. Le mélange de molécules est généré par une méthode de reconstruction moléculaire en deux étapes. Dans la première étape, les molécules sont créées par assemblage de blocs structuraux de manière stochastique. Dans la deuxième éta

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Dadar, Mahsa. "Simulation of Chemical Reactions Using Stochastic Petri Nets." Thesis, 2013. http://spectrum.library.concordia.ca/977708/1/Dadar_MSc_F2013.pdf.

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The recent breakthroughs in biological experiments have enabled the researchers to measure the quantities of different chemicals that build biological units such as cells. This type of information can be used to build models that can explain and predict the behaviour of the system. Such models can later be used to design control mechanisms that can influence the behaviour of the system in a desired way. With the help of medicine and biology researchers, the designed control mechanisms can be translated into drugs that can control or cure major diseases. Biological systems usually consist of

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Metri, Vishal. "Stochastic Chemical Kinetics : A Study on hTREK1 Potassium Channel." Thesis, 2013. http://etd.iisc.ernet.in/2005/3329.

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Chemical reactions involving small number of reacting molecules are noisy processes. They are simulated using stochastic simulation algorithms like the Gillespie SSA, which are valid when the reaction environment is well-mixed. This is not the case in reactions occuring on biological media like cell membranes, where alternative simulation methods have to be used to account for the crowded nature of the reacting environment. Ion channels, which are membrane proteins controlling the flow of ions into and out of the cell, offer excellent single molecule conditions to test stochastic simulation sc

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Mauro, Ava J. "Numerical methods and stochastic simulation algorithms for reaction-drift-diffusion systems." Thesis, 2014. https://hdl.handle.net/2144/15259.

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In recent years, there has been increased awareness that stochasticity in chemical reactions and diffusion of molecules can have significant effects on the outcomes of intracellular processes, particularly given the low copy numbers of many proteins and mRNAs present in a cell. For such molecular species, the number and locations of molecules can provide a more accurate and detailed description than local concentration. In addition to diffusion, drift in the movements of molecules can play a key role in the dynamics of intracellular processes, and can often be modeled as arising from potential

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Turner, Christoffer Heath. "Computer simulation of chemical reactions in porous materials." 2002. http://www.lib.ncsu.edu/theses/available/etd-08142002-225425/unrestricted/etd.pdf.

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ZENG, LI-ZI, and 曾梨子. "Analysis and simulation of gas absorption with exothermic chemical reactions." Thesis, 1992. http://ndltd.ncl.edu.tw/handle/76152601894310403553.

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Wells, Chad. "Comparison of Approximation Schemes in Stochastic Simulation Methods for Stiff Chemical Systems." Thesis, 2009. http://hdl.handle.net/10012/4526.

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Interest in stochastic simulations of chemical systems is growing. One of the aspects of simulation of chemical systems that has been the prime focus over the past few years is accelerated simulation methods applicable when there is a separation of time scale. With so many new methods being developed we have decided to look at four methods that we consider to be the main foundation for this research area. The four methods that will be the focus of this thesis are: the slow scale stochastic simulation algorithm, the quasi steady state assumption applied to the stochastic simulation algorithm, t

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Benkö, Gil, Christoph Flamm, and Peter F. Stadler. "Explicit Collision Simulation of Chemical Reactions in a Graph Based Artificial Chemistry." 2005. https://ul.qucosa.de/id/qucosa%3A32092.

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A Toy Model of an artificial chemistry that treats molecules as graphs was implemented based on a simple Extended Hückel Theory method. Here we describe an extension of the model that models chemical reactions as the result of “collisions”. In order to avoid a possible bias arising from prescribed generic reaction mechanisms, the reactions are simulated in a way that treats the formation and breakage of individual chemical bonds as elementary operations.

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LIEW, C. Y., and 劉介宇. "Simulation of the Absorption and Desorption process with Reversible Exothermic Chemical Reactions." Thesis, 1997. http://ndltd.ncl.edu.tw/handle/47281840042911449086.

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碩士<br>中國文化大學<br>造紙印刷研究所<br>85<br>The problem of exothermic gas absorption accompanied by reversible chemical reaction ,and partial desorption of the reaction product , is considered in this research . The film model is employed to describe the heat and mass transfer . The reactant andproduct are determined nonlinearly . The phenomena of exothermic reaction and desorptionof the product give complex results of the enhancement factors . The nonisothermal effects of gas absorption are present

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Jyun-YeLai and 賴郡曄. "Numerical simulation on the chemical and mineral reactions in the CO2–water–feldspar system." Thesis, 2012. http://ndltd.ncl.edu.tw/handle/65697765228344444476.

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碩士<br>國立成功大學<br>地球科學系碩博士班<br>100<br>The secureness and effectiveness of CO2 geological sequestration depends mainly on geophysical and geochemical trapping mechanisms. Numerical simulation is an important approach for predicting the behavior of CO2 in its sequestration environment. Numerical codes such as ECLIPSE, PHREEQC, GEM and TOUGHREACT have been used to simulate reactive transport processes for CO2 storage. Compared to experiments, numerical simulation has the advantages in the variability of relevant parameters. Also, numerical simulation is a relative time-saving process when compared

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Chandrasekar, Vikram 1984. "An experimental and simulation study of the effect of geochemical reactions on chemical flooding." Thesis, 2010. http://hdl.handle.net/2152/ETD-UT-2010-12-2628.

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The overall objective of this research was to gain an insight into the challenges encountered during chemical flooding under high hardness conditions. Different aspects of this problem were studied using a combination of laboratory experiments and simulation studies. Chemical Flooding is an important Enhanced Oil Recovery process. One of the major components of the operational expenses of any chemical flooding project, especially Alkali Surfactant Polymer (ASP) flooding is the cost of softening the injection brine to prevent the precipitation of the carbonates of the calcium and magnesium ions

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香里, 藤井, and Kaori Fujii. "Time-resolved spectroscopic study on fundamental chemical reactions in a unique class of solvents." Thesis, 2003. http://id.nii.ac.jp/1707/00028176/.

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多数の溶媒分子に取り囲まれている溶液中において溶質分子の化学反応素過程を考える場合、溶媒分子による反応の平衡論的、動的な効果を考える必要がある。本研究では、ユニークな反応場として水や有機溶媒とは区別される、超臨界流体とイオン液体をとり上げ、溶質分子のプロトン移動反応、光解離反応について、時間分解レーザー分光と分子動力学計算、理論的解析を行い、その現象を明らかにする試みをおこなった。<br>In solution|solvent molecules involve chemical reaction of solute molecules and could alter both reaction yield and kinetics. In this thesis|the author focused on fundamental chemical reactions (intermolecular proton transfer and photodissociate reaction) in a unique class of solvents|supercritical fluids and ionic liquids. By measuring time-resolved fluorescence spectrum and transient absorption spec

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