Thèses : « Theory of mixed solvent »

1

Pradhan, Rajendra. « Molecular interactions in mixtures of some industrially important solvents : a physico-chemical study ». Thesis, University of North Bengal, 2018. http://ir.nbu.ac.in/handle/123456789/2698.

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Summers, Timothy Corneal. « HOW HACKERS THINK : A MIXED METHOD STUDY OF MENTAL MODELSAND COGNITIVE PATTERNS OF HIGH-TECH WIZARDS ». Case Western Reserve University School of Graduate Studies / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=case1427809862.

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Choudhury, Ankan. « Physico-chemical investigation of solute-solute, solute-solvent and solvent-solvent interactions of some compounds in non-aqueous and mixed solvent media ». Thesis, Th 541.34:C552p, 2005. http://hdl.handle.net/123456789/704.

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Bhattarai, Ajaya. « Polyelectrolyte-surfactant interactions in mixed solvent media ». Thesis, University of North Bengal, 2010. http://hdl.handle.net/123456789/1321.

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Dakua, Vikas Kumar. « Physico-chemical studies on interactions between ion-solvent, ion-ion and solvent-solvent in aqueous and non-aqueous pure and mixed solvent systems ». Thesis, University of North Bengal, 2008. http://hdl.handle.net/123456789/707.

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Aggarwal, S. « Studies on simulated nuclear waste of mixed solvent type ». Thesis, University of Salford, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.255339.

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7

Thanthiriwatte, Kanchana Sahan. « Solvent methods in coupled-cluster theory ». Diss., Mississippi State : Mississippi State University, 2009. http://sun.library.msstate.edu/ETD-db/theses/available/etd-04032009-090013/.

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Hamilton, Patrick Neal. « The behavior and separation of polystyrene in mixed solvent systems ». [College Station, Tex. : Texas A&M University, 2007. http://hdl.handle.net/1969.1/ETD-TAMU-1256.

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Chavez, Krystle J. « Crystallization of pseudopolymorphic forms of sodium naproxen in mixed solvent systems ». Diss., Atlanta, Ga. : Georgia Institute of Technology, 2009. http://hdl.handle.net/1853/29759.

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Thesis (Ph.D)--Chemical Engineering, Georgia Institute of Technology, 2009.
Committee Chair: Rousseau, Ronald; Committee Member: Meredith, Carson; Committee Member: Prausnitz, Mark; Committee Member: Teja, Amyn; Committee Member: Wilkinson, Angus. Part of the SMARTech Electronic Thesis and Dissertation Collection.

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Nandi, Prabir. « Solution properties of sodium carboxymethylcellulose in acetonitrile-water mixed solvent media ». Thesis, University of North Bengal, 2009. http://hdl.handle.net/123456789/1350.

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Chatterjee, Amritendu. « Solution properties of sodium carboxymethylcellulose in methanol-water mixed solvent media ». Thesis, University of North Bengal, 2012. http://hdl.handle.net/123456789/1573.

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Mills, Eric A. « Protein-solvent interactions and classical density functional theory ». Thesis, University of British Columbia, 2015. http://hdl.handle.net/2429/55761.

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We use classical density functional theory to investigate the interactions between solvents and proteins. We examine a diverse experimental literature to establish thermodynamic properties of protein-cosolute interaction, particularly the compensation between transfer entropy and transfer enthalpy. We develop a method of analysing the uncertainties in such measurements and use the method to resolve a long-standing debate over entropy-enthalpy compensation. We develop a classical density functional theory for interactions between proteins and cosolutes. The theory developed here ignores the solvent-solvent interaction but is nonetheless quite accurate. We use this approach to reproduce transfer free energies reported elsewhere, and show that the cDFT model captures the desolvation barrier and the temperature dependence of the transfer free energy. We use experimental values that we have analyzed to define the parameter space of a model density functional theory approach. We then extend the classical density functional theory to capture protein-water interactions, thus developing a new implicit solvent model. Along the way we give a proof that the free energy of a bath of particles in a finite external potential is independent of the external potential in the isothermal-isobaric ensemble. We finally discuss the challenges remaining in implementing our implicit solvent model.
Science, Faculty of
Physics and Astronomy, Department of
Graduate

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Hammond, Wayne A. « Canadian Native adolescent solvent abuse and attachment theory ». Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2000. http://www.collectionscanada.ca/obj/s4/f2/dsk2/ftp03/NQ49500.pdf.

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Nzengung, Valentine Asongu. « Organoclays as sorbents for organic contaminants in aqueous and mixed-solvent systems ». Diss., Georgia Institute of Technology, 1993. http://hdl.handle.net/1853/26460.

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De, Ranjit. « Solution properties of sodium polystyrene sulphonate in 2-ethoxyethanol-water mixed solvent media ». Thesis, University of North Bengal, 2011. http://hdl.handle.net/123456789/1435.

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Ghosh, Debapratim. « Studies on the behaviour of polyelectrolytes & ; their interaction with small ion & ; surfactant in mixed solvent ». Thesis, University of North Bengal, 2009. http://hdl.handle.net/123456789/1380.

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Roy, Mahendra Nath. « Studies on the ion-solvent interactions of some tetraalkylammonium and common ions in non-aqueous and mixed solvents ». Thesis, University of North Bengal, 1993. http://hdl.handle.net/123456789/740.

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Brahman, Dhiraj. « PHYSICO-CHEMICAL STUDIES OF SOME SCHIFF BASE COMPLEXES OF TRANSITION METALS IN PURE AND MIXED SOLVENT MEDIA ». Thesis, University of North Bengal, 2013. http://hdl.handle.net/123456789/973.

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19

Cirici, Joana. « Homotopical Aspects of Mixed Hodge Theory ». Doctoral thesis, Universitat de Barcelona, 2012. http://hdl.handle.net/10803/108950.

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In the present work, we analyse the categories of mixed Hodge complexes and mixed Hodge diagrams of differential graded algebras in these two directions: we prove the existence of both a Cartan-Eilenberg structure, via the construction of cofibrant minimal models, and a cohomological descent structure. This allows to interpret the results of Deligne, Beilinson, Morgan and Navarro within a common homotopical framework. In the additive context of mixed Hodge complexes we recover Beilinson's results. In our study we go a little further and show that the homotopy category of mixed Hodge complexes, and the derived category of mixed Hodge structures are equivalent to a third category whose objects are graded mixed Hodge structures and whose morphisms are certain homotopy classes, which are easier to manipulate. In particular, we obtain a description of the morphisms in the homotopy category in terms of morphisms and extensions of mixed Hodge structures, and recover the results of Carlson [Car80] in this area. As for the multiplicative analogue, we show that every mixed Hodge diagram can be represented by a mixed Hodge algebra which is Sullivan minimal, and establish a multiplicative version of Beilinson's Theorem. This provides an alternative to Morgan's construction. The main difference between the two approaches is that Morgan uses ad hoc constructions of models à la Sullivan, specially designed for mixed Hodge theory, while we follow the line of Quillen's model categories or Cartan-Eilenberg categories, in which the main results are expressed in terms of equivalences of homotopy categories, and the existence of certain derived functors. In particular, we obtain not only a description of mixed Hodge diagrams in terms of Sullivan minimal algebras, but we also have a description of the morphisms in the homotopy category in terms of certain homotopy classes, parallel to the additive case. In addition, our approach generalizes to broader settings, such as the study of compactificable analytic spaces, for which the Hodge and weight filtrations can be defined, but do not satisfy the properties of mixed Hodge theory. Combining these results with Navarro's functorial construction of mixed Hodge diagrams, and using the cohomological descent structure defined via the Thom-Whitney simple, we obtain a more precise and alternative proof of that the rational homotopy type, and the rational homotopy groups of every simply connected complex algebraic variety inherit functorial mixed Hodge structures. As an application, and extending the Formality Theorem of Deligne-Griffiths-Morgan-Sullivan for compact Kähler varieties and the results of Morgan for open smooth varieties, we prove that every simply connected complex algebraic variety (possibly open and singular) and every morphism between such varieties is filtered formal: its rational homotopy type is entirely determined by the first term of the spectral sequence associated with the multiplicative weight filtration.
En aquest treball, analitzem les categories de complexos de Hodge mixtos i de diagrames de Hodge d'àlgebres diferencials graduades en aquestes dues direccions: provem l'existència d'una estructura de Cartan-Eilenberg, via la construcció de models cofibrants minimals, i d'una estructura de descens cohomològic. Aquest estudi permet interpretar els resultats de Deligne, Beilinson, Morgan i Navarro en un marc homotòpic comú.

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Jayasinghe, Nivari School of Chemical Engineering &amp Industrial Chemistry UNSW. « Ion exchange equilibria of the gold cyanide complex in aqueous and mixed solvent environments ». Awarded by:University of New South Wales. School of Chemical Engineering and Industrial Chemistry, 2005. http://handle.unsw.edu.au/1959.4/23056.

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Ion exchange equilibria are presented for [ ]??? ??? Au(CN)2 / Cl , [ ]??? ??? Au(CN)2 / SCN and SCN??? / Cl??? in aqueous solution, and in various mixed solvents, at 303K using Purolite A500 as the ion-exchanger. The mixed solvents investigated include water-acetone, water-dimethylsulfoxide (DMSO) and water-N-methyl-2-pyrrolidone (NMP). In aqueous solution, the selectivity of Purolite A500 for a given anion increases in the order: [ ]??? ??? < ??? < Cl SCN Au(CN)2 . This selectivity sequence confirms the high affinity of the ion exchange resin for the [ ]??? Au(CN)2 species. In mixed solvents, however, the selectivity of Purolite A500 for [ ]??? Au(CN)2 decreases with an increase in the composition of the organic solvent in the external solution. Mixed solvents containing greater than 60 mol% organic solvent are preferred for the displacement of [ ]??? Au(CN)2 from the resin. The effectiveness of a given type of mixed solvent generally increases in the following order: DMSO &it acetone &it NMP. The ion exchange equilibria are correlated using the Law of Mass Action, modified with activity coefficients, to determine the equilibrium constant for each binary system. The fitted values of the equilibrium constants are consistent with the trends observed in the ion exchange isotherms. The accuracy of the correlation results in the mixed solvent systems range from 1 to 10% and this is similar to the level of accuracy obtained for the ion exchange equilibria in aqueous solution. From these results it can be concluded that the Law of Mass Action is equally valid in mixed solvent systems. The variation in the equilibrium constant with mixed solvent composition, for a given binary system, correlates well with the dielectric constant of the mixed solvent. For a given value of the dielectric constant, however, the equilibrium constant, however, the equilibrium constant is dependent on the type of mixed solvent. A fundamental relationship is derived between the equilibrium constants and the Gibbs energies of transfer associated with the solvation of the ions in the mixed solvents. Based on this relationship, the redistribution of ions between the pore solution and the bulk mixed solvent, appears to be the most significant factor that governs the selectivity of the resin in mixed solvent systems.

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Das, Bijan. « Physico - chemical investigations on the ion-solvent interactions of some Tetraalkylammonium and common ions in non-aqueous and mixed binary aqueous solvent systems ». Thesis, University of North Bengal, 1992. http://hdl.handle.net/123456789/719.

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Cikalo, Maria Gillian. « Separation and quantification of weakly-absorbing and low-concentration analytes by capillary electrophoresis ». Thesis, University of York, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.321675.

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PAVIA, EMANUELE. « MIXED GRADED MODULES IN HOMOTOPY LIE THEORY ». Doctoral thesis, Università degli Studi di Milano, 2022. http://hdl.handle.net/2434/930979.

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L’obiettivo principale di questa tesi è lo studio dei complessi misti graduati e del loro possibile ruolo nell’ambito della ricerca nella teoria della deformazione. In particolare, mi sono occupato della relazione tra complessi misti graduati e algebre di Lie derivate. I due contributi principali di questa tesi sono la costruzione di una t-struttura completa e non-degenere sulla ∞-categoria stabile dei complessi misti graduati, che esibisce i moduli misti graduati come il completamento sinistro della t-struttura di Beilinson sulla ∞-categoria derivata filtrata, e la costruzione di una famiglia di funtori di Chevalley-Eilenberg verso la ∞-categoria dei moduli misti graduati. Nonostante sia noto che i complessi di Chevalley-Eilenberg siano dotati di questa struttura, in letteratura tale funtore non è mai stato costruito in maniera indipendente da qualsiasi modello per le ∞-categorie.
The main objective of this thesis is to study mixed graded complexes as a framework where to study derived deformation theory. In particular, I investigated the relationship between mixed graded complexes and derived Lie algebras. The main contributions of this thesis are the following. First, I provided the ∞-category of mixed graded complexes with a complete and non-degenerate t-structure, which exhibits such ∞-category as the left completion of the Beilinson t-structure on the filtered derived ∞-category. Secondly, I constructed a family of Chevalley-Eilenberg ∞-functors computing homology and cohomology of derived Lie algebras, endowing them of a richer structure of mixed graded complexes. Even if it is known that Chevalley-Eilenberg complexes are endowed with such structure, my construction is new and completely model-independent.

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Nosaka, Shoji. « STUDIES ON DEFORMATION AND SOLVENT PERMEATION OF POLYMER GELS INDUCED BY EXTERNAL FORCES ». 京都大学 (Kyoto University), 2007. http://hdl.handle.net/2433/57246.

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Hao, Feng. « Limiting Mixed Hodge Theory and Nonabelian Hodge Theory for Nodal Curves ». Thesis, Purdue University, 2018. http://pqdtopen.proquest.com/#viewpdf?dispub=10844977.

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This thesis contains two parts.

In the first part, we will give the Deligne 1-motives up to isogeny corresponding to the Q-limit mixed Hodge structures of semi-stable degenerations of curves, using logarithmic structures and Steenbrink’s cohomological mixed Hodge complexes associated to semi-stable degenerations of curves.

In the second part, we study the nonableian Hodge theory for nodal curves, construct a “Dolbeault moduli spaces” M_Dol( X,m) for Higgs bundles on nodal curves, and give the formality theorem for local systems and Higgs bundles on nodal curves. We also give some discussions on the Hitchin fibration of M_Dol(X,m) and the mixed Hodge structure on C^*-fixed points in M_Dol(X,m).

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Zhang, Ying. « Mixed volume and total degree ». Diss., Connect to online resource - MSU authorized users, 2008.

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Millar, R. B. « Estimation of mixing and mixed distributions / ». Thesis, Connect to this title online ; UW restricted, 1989. http://hdl.handle.net/1773/8984.

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Culver, Chance. « Decompositions of the Complete Mixed Graph by Mixed Stars ». Digital Commons @ East Tennessee State University, 2020. https://dc.etsu.edu/etd/3782.

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In the study of mixed graphs, a common question is: What are the necessary and suffcient conditions for the existence of a decomposition of the complete mixed graph into isomorphic copies of a given mixed graph? Since the complete mixed graph has twice as many arcs as edges, then an obvious necessary condition is that the isomorphic copies have twice as many arcs as edges. We will prove necessary and suffcient conditions for the existence of a decomposition of the complete mixed graphs into mixed stars with two edges and four arcs. We also consider some special cases of decompositions of the complete mixed graph into partially oriented stars with twice as many arcs as edges. We employ difference methods in most of our constructions when showing suffciency. 2

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Culver, Chance. « Decompositions of the Complete Mixed Graph by Mixed Stars ». Digital Commons @ East Tennessee State University, 2008. https://dc.etsu.edu/etd/3782.

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In the study of mixed graphs, a common question is: What are the necessary and suffcient conditions for the existence of a decomposition of the complete mixed graph into isomorphic copies of a given mixed graph? Since the complete mixed graph has twice as many arcs as edges, then an obvious necessary condition is that the isomorphic copies have twice as many arcs as edges. We will prove necessary and suffcient conditions for the existence of a decomposition of the complete mixed graphs into mixed stars with two edges and four arcs. We also consider some special cases of decompositions of the complete mixed graph into partially oriented stars with twice as many arcs as edges. We employ difference methods in most of our constructions when showing suffciency. 2

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Mullins, Paul Eric. « Application of COSMO-SAC to Solid Solubility in Pure and Mixed Solvent Mixtures for Organic Pharmacological Compounds ». Thesis, Virginia Tech, 2007. http://hdl.handle.net/10919/31086.

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In this work, we present two open literature databases, the VT-2005 Sigma Profile Database and the VT-2006 Solute Sigma Profile Database, that contain sigma profiles for 1,645 unique compounds. A sigma profile is a molecular-specific distribution of the surface-charge density, which enables the application of solvation-thermodynamic models to predict vapor-liquid and solid-liquid equilibria, and other properties. The VT-2005 Sigma Profile Database generally focuses on solvents and small molecules, while the VT-2006 Solute Sigma Profile Database primarily consists of larger, pharmaceutical-related solutes. We design both of these databases for use with the conductor-like screening model â segment activity coefficient (COSMO-SAC), a liquid-phase activity-coefficient model. The databases contain the necessary information to perform binary and multicomponent VLE and SLE predictions. We offer detailed tutorials and procedures for use with our programs so the reader may also use their own research on our research group website (www.design.che.vt.edu). We validate the VT-2005 Sigma Profile Database by pure component vapor pressure predictions and validate the VT-2006 Solute Sigma Profile Database by solid solubility predictions in pure solvents compared with literature data from multiple sources. Using both databases, we also explore the application of COSMO-SAC to solubility predictions in mixed solvents. This work also studies the effects of conformational isomerism on VLE and SLE property prediction. Finally, we compare COSMO-SAC solubility predictions to solubility predictions by the Non-Random Two-Liquid, Segment Activity Coefficient (NRTL-SAC) model. We find UNIFAC is a more accurate method for predicting VLE behavior than the COSMO-SAC model for many of the systems studied, and that COSMO-SAC predicts solute mole fraction in pure solvents with an average root-mean-squared error (log10(xsol)) of 0.74, excluding outliers, which is greater than the RMS error value of 0.43 using the NRTL-SAC model.

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Evans, Sarah Margaret Mary. « The theory of mixed valent and Kondo systems ». Thesis, University of Oxford, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.236121.

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Fukasawa, Ricardo. « Single-row mixed-integer programs : theory and computations / ». Diss., Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/24660.

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Thesis (Ph.D.)--Industrial and Systems Engineering, Georgia Institute of Technology, 2009.
Committee Chair: William J. Cook; Committee Member: Ellis Johnson; Committee Member: George Nemhauser; Committee Member: Robin Thomas; Committee Member: Zonghao Gu

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Kuan, Li Oi Daniel. « Quantum channels, mixed states and interferometry ». Thesis, University of Oxford, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.249441.

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Mohana, Sundaram Hamsa Priya. « Molecular Modeling of Solute/Co-Solvent/Water Preferential Interactions : Toward Understanding the Role of Hydration and Co-solvent in Weak Protein-Protein Interactions ». The Ohio State University, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=osu1299609836.

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Redha, Batul H. « Impact of mixed solvent on co-crystal solubility, ternary diagrams and crystallisation scale-up. Crystallisations of Isonicotinamide ¿Benzoic Acid Co-crystals from Ethanol ¿Water Co-solvent System ». Thesis, University of Bradford, 2012. http://hdl.handle.net/10454/5683.

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The production of stable solid crystalline material is an important issue in the pharmaceutical industry and the challenge to control the desired active pharmaceutical ingredient (API) with the specific chemical and physical properties has led to more development in the drug industry. Increasing the solubility and the dissolution of the drug will increase its bioavailability; therefore the solubility can be improved with the change in the preparation method. The formation of co-crystals has emerged as a new alternate to the salts, hydrates and solvate methods since the molecules that cannot be formed by the usual methods might crystallise in the form of co-crystals. Co-crystals are multicomponent crystals which can be known as supramolecules and are constructed by the non covalent bonds between the desired former and co-former. Therefore the synthon approach was utilised to design co-crystals with the specific properties, this involves the understanding of the intermolecular interactions between these synthons. These interaction forces can be directed to control the crystal packing in the design of the new crystalline solid with the desired chemical and physical properties. The most familiar synthon was the amide group with its complementary carboxylic group, in this work isonicotinamide and benzoic acid were chosen to design co-crystal and much literature exist that introduce the determination of co-crystal growth from these two compounds. The growth of co-crystals was carried out in water, ethanol and ethanol / water mixed solvent (30 - 90 % ethanol) by utilising the Cryo-Compact circulator. Co-crystals (1:1) and (2:1) were grown in ethanol and water respectively and a mixture of both phases were grown in the mixed solvent. All the phases were examined by powder X-ray diffraction (PXRD), Raman, Infrared and 1H-NMR spectroscopy. The solubility of isonicotinamide, benzoic acid, co-crystals (1:1) and (2:1) in water, ethanol and ethanol/water mixed solvent (30 - 90 % ethanol) were determined at 25 °C, 35 °C and 40 °C by utilising the React-Array Microvate. It was important to understand some of the thermodynamic factors which control the formation of these polymorphs such as the change in the enthalpy and the change in the entropy. Also it was important to study the pH behaviour during dissolution of the former, co-former and co-crystals in water, ethanol and ethanol/water mixed solvent (30 - 90 % ethanol) in-order to examine the affect of the solvent composition on the solubility and to identify if some ions were formed during the dissociation and how this could affects the formation of co-crystals. A discussion has been introduced in this research of how similar solubility of the compounds maps the formation of the typical ternary phase diagram of the mixture of 1:1 while compounds with different solubility maps the formation of skewed phase diagram as shown in section 1.6.2.3. In this project an isotherm ternary phase diagram at 20 °C and 40 °C was constructed to map the behaviour of benzoic acid and isonicotinamide and to show all possible phases formed and the regions where all phases are represented in the ternary phase diagram were determined by the slurry method. The ternary phase diagram was used to design a drawn out and cooling crystallisation at 100 cm3 solution of 50 % ethanol / water mixed solvent and a study of the impact of seeds of co-crystals 1:1 on the cooling crystallisation method.

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Lindgren, Edmonds Ann-Louise. « Mixed Messages within The Buddha of Suburbia ». Thesis, Växjö University, School of Humanities, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:vxu:diva-1933.

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Abstract

The mixed messages provided in The Buddha of Suburbia together with its prevalent use of humour are the focal point for this essay. The aim is to defend my thesis statement that humour provides a justifiable forum for the critique and presentation of society, enabling the facilitation of serious, effective and powerful perspectives. As critical standpoints a mixture of Postcolonial and Marxist theories are applied together with Bakhtin’s theory of carnevalesque. By comparing historic facts with the portrayed environment depicted in the novel, a message is delivered that a change of a different worldview is required. This message is displayed with various uses of humour, wit and satire, which provide an allegorical veil for its seriousness. This analysis shows that there are no seeming changes in the lives of the characters, but it highlights that a need for a change of views is important.

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Read, Nicholas. « Low temperature properties of models for mixed-valence compounds ». Thesis, Imperial College London, 1986. http://hdl.handle.net/10044/1/38140.

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Hiller, Randall S., Carol Anne Holmes, T. M. Magee et Jeremy F. 1939 Shapiro. « Constructive Duality for Mixed Integer Programming : Part I, Theory ». Massachusetts Institute of Technology, Operations Research Center, 1986. http://hdl.handle.net/1721.1/5366.

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Tyber, Steven Jay. « Cutting planes in mixed integer programming : theory and algorithms ». Diss., Georgia Institute of Technology, 2013. http://hdl.handle.net/1853/47560.

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Recent developments in mixed integer programming have highlighted the need for multi-row cuts. To this day, the performance of such cuts has typically fallen short of the single-row Gomory mixed integer cut. This disparity between the theoretical need and the practical shortcomings of multi-row cuts motivates the study of both the mixed integer cut and multi-row cuts. In this thesis, we build on the theoretical foundations of the mixed integer cut and develop techniques to derive multi-row cuts. The first chapter introduces the mixed integer programming problem. In this chapter, we review the terminology and cover some basic results that find application throughout this thesis. Furthermore, we describe the practical solution of mixed integer programs, and in particular, we discuss the role of cutting planes and our contributions to this theory. In Chapter 2, we investigate the Gomory mixed integer cut from the perspective of group polyhedra. In this setting, the mixed integer cut appears as a facet of the master cyclic group polyhedron. Our chief contribution is a characterization of the adjacent facets and the extreme points of the mixed integer cut. This provides insight into the families of cuts that may work well in conjunction with the mixed integer cut. We further provide extensions of these results under mappings between group polyhedra. For the remainder of this thesis we explore a framework for deriving multi-row cuts. For this purpose, we favor the method of superadditive lifting. This technique is largely driven by our ability to construct superadditive under-approximations of a special value function known as the lifting function. We devote our effort to precisely this task. Chapter 3 reviews the theory behind superadditive lifting and returns to the classical problem of lifted flow cover inequalities. For this specific example, the lifting function we wish to approximate is quite complicated. We overcome this difficulty by adopting an indirect method for proving the validity of a superadditive approximation. Finally, we adapt the idea to high-dimensional lifting problems, where evaluating the exact lifting function often poses an immense challenge. Thus we open entirely unexplored problems to the powerful technique of lifting. Next, in Chapter 4, we consider the computational aspects of constructing strong superadditive approximations. Our primary contribution is a finite algorithm that constructs non-dominated superadditive approximations. This can be used to build superadditive approximations on-the-fly to strengthen cuts derived during computation. Alternately, it can be used offline to guide the search for strong superadditive approximations through numerical examples. We follow up in Chapter 5 by applying the ideas of Chapters 3 and 4 to high-dimensional lifting problems. By working out explicit examples, we are able to identify non-dominated superadditive approximations for high-dimensional lifting functions. These approximations strengthen existing families of cuts obtained from single-row relaxations. Lastly, we show via the stable set problem how the derivation of the lifting function and its superadditive approximation can be entirely embedded in the computation of cuts. Finally, we conclude by identifying future avenues of research that arise as natural extensions of the work in this thesis.

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Chang, Soong Uk. « Clustering with mixed variables / ». [St. Lucia, Qld.], 2005. http://www.library.uq.edu.au/pdfserve.php?image=thesisabs/absthe19086.pdf.

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Liu, Shushu. « Production of High-Grade Mixed Rare Earth Oxides from Acid Mine Drainage via Solvent Extraction : Laboratory-Scale Process Development ». Thesis, Virginia Tech, 2020. http://hdl.handle.net/10919/96555.

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Several recent studies have shown that acid mine drainage (AMD) may be a promising source of rare earth elements (REEs), which are essential feedstocks for many high tech applications and defense products. AMD is a longstanding environmental challenge and is currently the primary pollutant of water in the Appalachian coal mining region. Acid generated during the coal mining process tends to leach several transition metals from the surrounding rock strata. While iron, aluminum, and manganese have traditionally been noted as the predominant metals in AMD, recent studies have also shown that REEs are also present, albeit in trace concentrations, often less than 5 μg/L. The recovery of REEs from AMD can be both an economic and environmental advantage; however, the low REE concentrations and high contamination from other metals makes the concentration and purification of REEs quite difficult. This research seeks to develop and optimize a process capable of producing mixed rare earth concentrates with purities exceeding 90% from an AMD feedstock. Parallel efforts by other members of the research team showed that a solid preconcentrate, nominally 0.1 to 2% REE, can be readily produced from AMD; however, that pre-concentration process cannot provide the further enrichment needed to generate high purity oxides suitable for downstream markets. In this project, solvent extraction was investigated as secondary process used to further enrich the low grade preconcentrate to a purity exceeding 90%. Initially, laboratory-scale batch solvent extraction tests were performed on synthetic REE solutions to determine the influence of various process parameters (e.g. pH, extractant dosage, diluent type, and feedstock concentration). Next, the separation of REEs from major AMD gangue elements was investigated using synthetic leachate solutions with concentrations similar to those expected from the pre-concentrate samples. This process showed that the grade targets could easily be met when combining optimal parameters from each step. From this preliminary work with synthetic solutions, an optimal SX process was developed and validated using a real leachate generated from a pre-concentrate sample. By integrating leachate preparation, solvent extraction, scrubbing, stripping, and oxalic acid precipitation, an oxide containing 90.5% rare earth oxides was generated. Details on the process development, experimental optimization, and opportunities for process improvement are described.
Master of Science
Rare earth elements (REEs) are essential for many modern industries, high-tech applications, and defense products. The U.S. consumes approximately 11% of the global REE demand; however, the US supply chain is heavily reliant on imported Chinese feedstocks. This lack of a domestic supply chain exposes the US to both price and supply volatility, which are prevalent in the international markets. This supply issue is further compounded by a lack of suitable domestic feedstocks. REEs are rarely concentrated into mineable ore deposits, and in some cases the extraction and processing of conventional REEs deposits entails considerable environmental risk. As a result of these challenges, numerous federal agencies and private companies have recently sought to identify promising alternative resources. One potential alternative resource is acid mine drainage (AMD), which is a common environmental challenge associated with coal and hard rock mining. Prior studies have shown that acid mine drainage contains REEs; however, other metals, such as iron, aluminum, and manganese, preclude REE recovery using conventional processing techniques. As such, the goal of this research is to develop and optimize a process capable of recovering and concentrating REEs from an AMD feedstock. The research conducted in this thesis predominantly included laboratory testing using synthetic AMD samples. The complexity of the synthetic AMD progressively increased from very simple, single element solutions to complex multi-component mixtures. Through this research, data and information from these controlled experiments was used to design a multi-step solvent extraction process capable of producing final REE products exceeding 90% purity. In the last stage of the research, the final process was validated using actual AMD recovered from an operating mine site. The validation test showed that the process was effective in meeting its initial objectives: the grade of the final rare earth oxide was determined to be 90.5%. This laboratory-scale experimental work represents the first step of process needed to develop and deploy a commercial technology capable of producing REE products from AMD feedstocks.

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Ali, El Haj Mohammed Adam. « Sorption-desorption, extraction and mixed solvent studies of pyrethroids on soils and bed nets using GC-MS/NICI ». Thesis, University of Salford, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.395922.

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Mehrafarin, M. « Some topics in the theory of mixed spin ising models ». Thesis, University of Liverpool, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.377142.

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Bonnet, Anna. « Heritability Estimation in High-dimensional Mixed Models : Theory and Applications ». Thesis, Université Paris-Saclay (ComUE), 2016. http://www.theses.fr/2016SACLS498/document.

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Nous nous intéressons à desméthodes statistiques pour estimer l'héritabilitéd'un caractère biologique, qui correspond à lapart des variations de ce caractère qui peut êtreattribuée à des facteurs génétiques. Nousproposons dans un premier temps d'étudierl'héritabilité de traits biologiques continus àl'aide de modèles linéaires mixtes parcimonieuxen grande dimension. Nous avons recherché lespropriétés théoriques de l'estimateur du maximumde vraisemblance de l'héritabilité : nousavons montré que cet estimateur était consistantet vérifiait un théorème central limite avec unevariance asymptotique que nous avons calculéeexplicitement. Ce résultat, appuyé par des simulationsnumériques sur des échantillons finis,nous a permis de constater que la variance denotre estimateur était très fortement influencéepar le ratio entre le nombre d'observations et lataille des effets génétiques. Plus précisément,quand le nombre d’observations est faiblecomparé à la taille des effets génétiques (ce quiest très souvent le cas dans les étudesgénétiques), la variance de l’estimateur était trèsgrande. Ce constat a motivé le développementd'une méthode de sélection de variables afin dene garder que les variants génétiques les plusimpliqués dans les variations phénotypiques etd’améliorer la précision des estimations del’héritabilité.La dernière partie de cette thèse est consacrée àl'estimation d'héritabilité de données binaires,dans le but d'étudier la part de facteursgénétiques impliqués dans des maladies complexes.Nous proposons d'étudier les propriétésthéoriques de la méthode développée par Golanet al. (2014) pour des données de cas-contrôleset très efficace en pratique. Nous montronsnotamment la consistance de l’estimateur del’héritabilité proposé par Golan et al. (2014)
We study statistical methods toestimate the heritability of a biological trait,which is the proportion of variations of thistrait that can be explained by genetic factors.First, we propose to study the heritability ofquantitative traits using high-dimensionalsparse linear mixed models. We investigate thetheoretical properties of the maximumlikelihood estimator for the heritability and weshow that it is a consistent estimator and that itsatisfies a central limit theorem with a closedformexpression for the asymptotic variance.This result, supported by an extendednumerical study, shows that the variance of ourestimator is strongly affected by the ratiobetween the number of observations and thesize of the random genetic effects. Moreprecisely, when the number of observations issmall compared to the size of the geneticeffects (which is often the case in geneticstudies), the variance of our estimator is verylarge. This motivated the development of avariable selection method in order to capturethe genetic variants which are involved themost in the phenotypic variations and providemore accurate heritability estimations. Wepropose then a variable selection methodadapted to high dimensional settings and weshow that, depending on the number of geneticvariants actually involved in the phenotypicvariations, called causal variants, it was a goodidea to include or not a variable selection stepbefore estimating heritability.The last part of this thesis is dedicated toheritability estimation for binary data, in orderto study the proportion of genetic factorsinvolved in complex diseases. We propose tostudy the theoretical properties of the methoddeveloped by Golan et al. (2014) for casecontroldata, which is very efficient in practice.Our main result is the proof of the consistencyof their heritability estimator

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van, de Ven Remy Julius. « Estimation in mixed Poisson regression models ». Thesis, The University of Sydney, 1996. https://hdl.handle.net/2123/26822.

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This thesis considers estimation of the parameters associated with models for count data displaying over-dispersion relative to the Poisson distribution where the over-dispersion is modelled using mixing. It is divided into seven chapters with Chapters Two to Five specific to the over-dispersed Poisson problem whilst Chapter Seven, which uses results from Chapter Six, is more general. The motivation for some of this work was the modelling of repeat counts of the number of fibres contained on microscopic slides as obtained by asbestos fibre counters and the subsequent estimation of mean fibre concentrations and counter variability. Chapter One introduces the above mentioned asbestos fibre problem and follows this with an overview of the thesis. In Chapter Two a model for repeated measures count data over-dispersed relative to the Poisson distribution appropriate to the asbestos problem is given. To accommodate the over-dispersion a Poisson random variable is compounded with a positive random variable with mean equal one and variance linked linearly, via a log function, to a set of covariates. Maximum likelihood estimators of the parameters are obtained for the case where the compounding distribution is gamma and extended quasi-likelihood parameter estimators are obtained when the compounding distribution is unspecified. These two sets of parameter estimators are then shown to be comparable in certain circumstances. In Chapter Three a special case of the general model in Chapter Two with a gamma compounding distribution is considered. Here repeat counts for a “subject” are taken as independent Poisson random variables with constant mean. The means are then modelled as independent observations from a gamma distribution. Two sets of moment estimators for the parameters of the model are obtained and generalized variances of the limiting distribution of the moment estimators are compared with the corresponding quantity for the maximum likelihood estimators. Also in this chapter we derive asymptotic results that explain some of the erratic behaviour of the moment estimators. Chapter Four considers the estimation of the shape parameter of the negative binomial distribution (NBD), this distribution being a special case of the model in Chapter Three. Here the results are given for a simulation study comparing four estimators for the shape parameter of the NBD distribution. Two criteria are used to compare the estimates obtained in the simulations, one being the traditional moment based criterion whilst the other is based on a new measure termed the “percentile measure”. This measure, based on the difference between the percentiles of the true and estimated distribution function, is argued to be more appropriate in many cases. In Chapter Five we continue studying the NBD and obtain some quantile related results. First we obtain bounds for the median in terms of the mean that are improvements on the bounds obtained by Payton, Young and Young (1989). Second we obtain percentile related bounds for the mean and use this to obtain a robust estimator for the mean of the NBD when the shape parameter is known. The remaining two chapters are devoted to robust estimation in (generalized) linear mixed models. In Chapter Six a modification to the Fellner (1991) procedure for robustly estimating variance components in normal linear mixed models is proposed and studied. Also given is a robust moment based method. These robust methods are then applied in Chapter Seven to the generalized linear mixed model to obtain robust parameter estimators and the behaviour of these new estimators is studied via a simulation study. From this simulation study in Chapter Seven it is concluded that the extension to generalized linear mixed models of the modification to Fellner’s method has merit. There should though be scope for improvement in the method and this could be a subject for further research. In particular, a possible mechanism for achieving an improvement would be to have more robust starting values for the variance components in the iterative procedure proposed. One solution would be to develop quantile based variance components estimates in the generalized linear mixed model and to use these as starting values. Another project for further research would be to obtain expressions for the variances of the fixed effects estimates for the linear mixed model obtained using the Fellner (1991) method. This would necessarily be an asymptotic result and of interest in its own right. However, once this was available the modified Fellner method of Chapter Six and its extension to generalized linear mixed models given in Chapter Seven could be improved. This is the case as the modification to Fellner’s method given in Chapter Six currently uses for these values the variances of the BLUP estimates of the fixed effects. Finally, an alternative robust estimation procedure based on the results of Windham (1995) could be another subject for further research. That paper, which assumes the data are independent and identically distributed (iid), proposes an estimation procedure that weights datum according to the value of the estimated likelihood at that datum point. The procedure seems to have merit based on the examples considered in Windham’s paper, which include some skewed distributions (e.g. gamma). Further research could consider extending the results to the non it'd case, in particular data from generalized linear mixed model problems. It may be possible using such a procedure in generalized linear mixed model cases to reduce some of the bias that is inherent in procedures based on Winsorization.

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Bani-Mustafa, Ahmed, University of Western Sydney, College of Law and Business et School of Quantitative Methods and Mathematical Sciences. « Recursive residuals and estimation for mixed models ». THESIS_CLAB_QMS_Bani-Mustafa_A.xml, 2004. http://handle.uws.edu.au:8081/1959.7/704.

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In the last three decades recursive residuals and estimation have received extensive attention as important and powerful tools in providing a diagnostic test of the structural change and functional misspecification in regression models. Recursive residuals and their relationship with recursive estimation of regression parameters have been developed for fixed effect models. Such residuals and estimation have been used to test the constancy of regression models over time and their usage has been suggested for almost all areas of regression model validation. These recursive techniques have not been developed for some of the more recent generalisations of Linear Models such as Linear Mixed Models (LMM) and their important extension to Generalised Linear Mixed Models (GLMM) which provide a suitable framework to analyse a variety of special problems in an unified way. The aim of this thesis is to extend the idea of recursive residuals and estimation to Mixed Models particularly for LMM and GLMM. Recurrence formulae are developed and recursive residuals are defined.
Doctor of Philosophy (PhD)

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England, Jeremy L. « Theory and simulation of explicit solvent effects on protein folding in vitro and in vivo / ». May be available electronically:, 2009. http://proquest.umi.com/login?COPT=REJTPTU1MTUmSU5UPTAmVkVSPTI=&clientId=12498.

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Burdett, Robert. « Sequencing and scheduling theory for mixed-model multi-stage assembly environment ». Thesis, Queensland University of Technology, 2001.

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Poma, Flavia. « Gromov-Witten theory of tame Deligne-Mumford stacks in mixed characteristic ». Doctoral thesis, SISSA, 2012. http://hdl.handle.net/20.500.11767/4718.

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We define Gromov-Witten classes and invariants of smooth proper tame Deligne-Mumford stacks of finite presentation over a Dedekind domain. We prove that they are deformation invariants and verify the fundamental axioms. For a smooth proper tame Deligne-Mumford stack over a Dedekind domain, we prove that the invariants of fibers in different characteristics are the same. We show that genus zero Gromov-Witten invariants define a potential which satisfies the WDVV equation and we deduce from this a reconstruction theorem for genus zero Gromov-Witten invariants in arbitrary characteristic.

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Chesson, Dani. « Design Thinker Profile : Creating and Validating a Scale for Measuring Design Thinking Capabilities ». Antioch University / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=antioch1508246732653715.

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Thèses sur le sujet « Theory of mixed solvent »

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