Relevant bibliographies by topics / Kinetic vs thermodynamic

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Book chapters
  4. Conference papers

Academic literature on the topic 'Kinetic vs thermodynamic'

Author: Grafiati
Published: 4 June 2021
Last updated: 12 February 2022

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Journal articles on the topic "Kinetic vs thermodynamic"

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Hodnett, Benjamin K., and Vivek Verma. "Thermodynamic vs. Kinetic Basis for Polymorph Selection." Processes 7, no. 5 (May 9, 2019): 272. http://dx.doi.org/10.3390/pr7050272.

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Ratios of equilibrium solubilities rarely exceed two-fold for polymorph pairs. A model has been developed based on two intrinsic properties of polymorph pairs, namely the ratio of equilibrium solubilities of the individual pairs (C*me/C*st) and the ratio of interfacial energies (γst/γme) and one applied experimental condition, namely the supersaturation identifies which one of a pair of polymorphs nucleates first. A domain diagram has been developed, which identifies the point where the critical free energy of nucleation for the polymorph pair are identical. Essentially, for a system supersaturated with respect to both polymorphs, the model identifies that low supersaturation with respect to the stable polymorph (Sst) leads to an extremely small supersaturation with respect to the metastable polymorph (Sme), radically driving up the critical free energy with respect to the metastable polymorph. Generally, high supersaturations sometimes much higher than the upper limit of the metastable zone, are required to kinetically favour the metastable polymorph.
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Wipf, P., H. Takahashi, and Nian Zhuang. "Kinetic vs. thermodynamic control in hydrozirconation reactions." Pure and Applied Chemistry 70, no. 5 (January 1, 1998): 1077–82. http://dx.doi.org/10.1351/pac199870051077.

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Bächinger, Hans Peter, and Jürgen Engel. "Thermodynamic vs. kinetic stability of collagen triple helices." Matrix Biology 20, no. 4 (July 2001): 267–69. http://dx.doi.org/10.1016/s0945-053x(01)00138-x.

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Field, Leslie D., Sever Sternhell, and Howard V. Wilton. "Electrophilic Substitution in Naphthalene: Kinetic vs Thermodynamic Control." Journal of Chemical Education 76, no. 9 (September 1999): 1246. http://dx.doi.org/10.1021/ed076p1246.

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WIPF, P., H. TAKAHASHI, and N. ZHUANG. "ChemInform Abstract: Kinetic vs. Thermodynamic Control in Hydrozirconation Reactions." ChemInform 29, no. 47 (June 18, 2010): no. http://dx.doi.org/10.1002/chin.199847337.

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Rowan, Stuart J., and Jeremy K. M. Sanders. "Macrocycles Derived from Cinchona Alkaloids: A Thermodynamic vs Kinetic Study." Journal of Organic Chemistry 63, no. 5 (March 1998): 1536–46. http://dx.doi.org/10.1021/jo971813h.

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Tomin, Vladimir I., Alexander P. Demchenko, and Pi-Tai Chou. "Thermodynamic vs. kinetic control of excited-state proton transfer reactions." Journal of Photochemistry and Photobiology C: Photochemistry Reviews 22 (March 2015): 1–18. http://dx.doi.org/10.1016/j.jphotochemrev.2014.09.005.

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Bartmess, John E., and Jeffrey P. Kiplinger. "Kinetic vs. thermodynamic acidities of enones in the gas phase." Journal of Organic Chemistry 51, no. 12 (June 1986): 2173–76. http://dx.doi.org/10.1021/jo00362a004.

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Chen, Lin Zhi, Robert Flammang, Andre Maquestiau, Robert W. Taft, Javier Catalan, Pilar Cabildo, Rosa M. Claramunt, and Jose Elguero. "Thermodynamic basicity vs. kinetic basicity of diazoles (imidazoles and pyrazoles)." Journal of Organic Chemistry 56, no. 1 (January 1991): 179–83. http://dx.doi.org/10.1021/jo00001a036.

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Deng, Li, Kevin Czerwinski, and James M. Cook. "Stereospecificity in the Pictet-Spengler reaction kinetic vs thermodynamic control." Tetrahedron Letters 32, no. 2 (January 1991): 175–78. http://dx.doi.org/10.1016/0040-4039(91)80847-y.

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Dissertations / Theses on the topic "Kinetic vs thermodynamic"

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Chen, Lizhen. "Thermodynamic vs kinetic control of particle assembly and pattern replication." ScholarWorks @ UVM, 2017. http://scholarworks.uvm.edu/graddis/702.

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This research aims to investigate how particles assemble together through thermodynamic and kinetic control. Particle assembly with thermodynamic control is achieved in part due to electrostatic attraction between particles. Electrostatic attraction between particles can be achieved by functionalizing polystyrene or SiO2 particles with different charges. Particles with different charges will come together in solution slowly and self-assemble to form ordered crystals with different patterns based on size and charge ratios of two oppositely charged particles. Kinetic control of particle assembly is achieved by pattern aided exponential amplification of nanoscale structures. Some of these nanoscale structures are difficult to build with other conventional synthetic methods. On the other hand, as for kinetically controlled particle replication, the patterns can be synthesized by one of two ways i) crystal products which are produced by thermodynamically controlled particle assembly or ii) single particle deposition. Specifically, kinetically controlled particle assembly focuses on constructing SiO2 particles. Exponential replication of SiO2 particles is achieved by growing a "bridge layer", between templates of SiO2 particles and next generation SiO2 replicas. By dissolving the bridge layer, two times the amount of the SiO2 particles with the shape of the original templates can be formed. In the next generation, all the particles serve as template particles. Thus, after n cycles of replication, 2n amount of products can be formed. If successful, particle assembly can be thermodynamic controlled and particle exponential replication can be kinetical controlled, which will enable new ways to build particles with well-defined shapes from readily available building blocks.
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Soldi-Lose, Héloïse. "Gas-Phase Ion and Radical Chemistry of CO2 Adducts with Possible Relevance in the Atmosphere of Mars." Phd thesis, 2008. http://tel.archives-ouvertes.fr/tel-00443938.

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In the Mars atmosphere, reactivity of trace components is as relevant as that of the major compounds if formation of complex molecules is considered. These are of great importance concerning the existence of a past or future life on Mars. In this context, the gas-phase chemistry of alkylcarbonate and alkyloxalate ions and radicals, ROCOO–/• and ROCOCOO–/•, is investigated for different alkyl substituents R (H, CH3, C2H5, i-C3H7, and t-C4H9). This study describes the structures, stability, and unimolecular dissociation behavior of these species and is achieved by means of mass spectrometric methods and ab initio calculations. Standard heats of formation of the ions and radicals are determined via computational methods, using atomization energies and bond-separation reactions. Vertical charge-transfer experiments are performed to provide evidence for the existence of the radicals under study and the NIDD (ion and neutral decomposition difference) method is employed to determine their reactivity. Typical processes observed involve direct bond cleavages leading to elimination of carbon dioxide. Concerning anionic compounds, classical metastable ion (MI) and collisional activation (CA) experiments enable the determination of their gas-phase behavior. This, in contrast to radicals, is not only constituted by direct bond cleavages, but also by hydride-transfer reaction or carbon monoxide expulsion involving formation of ion-neutral complexes as intermediates. Translational energy loss spectra are also employed to gain more insights concerning the dissociation energetics of CH3OCOO• and CH3OCOO+ formed by vertical charge-transfer of methylcarbonate. This rather unusual method for such study implies a careful evaluation of the error caused by the instrument which may otherwise generate dramatic deviations of the results compared to theory.
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Book chapters on the topic "Kinetic vs thermodynamic"

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Goodwin, J. T., P. Luo, J. C. Leitzel, and D. G. Lynn. "Template-Directed Synthesis of Oligomers: Kinetic vs. Thermodynamic Control." In Self-Production of Supramolecular Structures, 99–104. Dordrecht: Springer Netherlands, 1994. http://dx.doi.org/10.1007/978-94-011-0754-9_8.

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Rudnick, Gary. "[16] Ion-coupled neurotransmitter transport: Thermodynamic vs. kinetic determinations of stoichiometry." In Methods in Enzymology, 233–47. Elsevier, 1998. http://dx.doi.org/10.1016/s0076-6879(98)96018-9.

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Nishioka, K. "Thermodynamic vs. kinetic critical nucleus and the reversible work of nucleus formation." In Advances in the Understanding of Crystal Growth Mechanisms, 3–17. Elsevier, 1999. http://dx.doi.org/10.1016/b978-0-444-82504-9.50004-4.

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Mauro, John C. "Thermodynamics vs. Kinetics." In Materials Kinetics, 1–17. Elsevier, 2021. http://dx.doi.org/10.1016/b978-0-12-823907-0.00002-9.

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Doraiswamy, L. K. "Rates and Equilibria in Organic Reactions : The Thermodynamic and Extrathermodynamic Approaches." In Organic Synthesis Engineering. Oxford University Press, 2001. http://dx.doi.org/10.1093/oso/9780195096897.003.0007.

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In any reversible reaction such as . . . vA A + vB B ↔ vR R + vS S [2.1] . . . the system inevitably moves toward a state of equilibrium, or maximum probability. This equilibrium state is very important in analyzing chemical reactions because it defines the limit to which any reaction can proceed. Organic reactions, particularly those constituting a synthetic scheme for a fine chemical, usually involve molecules reacting in the liquid phase. The effects of reactant structure and of the solvent (medium) in which the reaction occurs (the solvation effects) are not included in the conventional macroscopic approach to thermodynamics. Therefore, the treatment of liquid-phase reactions tends to be less exact than that of gas-phase reactions involving simpler molecules without these influences. A convenient way of approaching this problem is to start with the conventional macroscopic or thermodynamic approach and add enough microscopic detail to allow for the effects of solute (reactant) structure and the medium. This approach is called the extrathermodynamic approach and may be regarded as bridging the gap between the two rather disparate fields of rates and equilibria represented by kinetics and thermodynamics, respectively. Such an approach is particularly useful in organic synthesis and forms the subject matter of this chapter. An important consideration in process calculations is the change that results in the basic thermodynamic properties, internal energy (U), enthalpy (H), Helmholtz work function (A), and Gibbs free energy (G) when a closed system of constant mass moves from one macroscopic state to another. For a homogeneous fluid, these change equations can be expressed in terms of four differential equations, which then can be written in difference form by employing the operator Δ to represent the change from state 1 to state 2: Of these, the enthalpy and free energy change equations are the most frequently used in the analysis of reactions.
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Bohme, T., T. Hammerschmidt, R. Drautz, and T. Pretorius. "Closing the Gap Between Nano- and Macroscale: Atomic Interactions vs. Macroscopic Materials Behavior." In Thermodynamics - Kinetics of Dynamic Systems. InTech, 2011. http://dx.doi.org/10.5772/23794.

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Conference papers on the topic "Kinetic vs thermodynamic"

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Johnston, Clare, and Louise Sutherland. "The Influence of Turbulence (or Hydrodynamic Effects) on Strontium Sulphate Scale Formation and Inhibitor Performance." In SPE International Oilfield Scale Conference and Exhibition. SPE, 2014. http://dx.doi.org/10.2118/spe-169760-ms.

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Abstract Inorganic scale (carbonate, sulphate and sulphides) formation can be predicted from thermodynamic models and over recent years better kinetic data has improved the prediction of such scales in field conditions. However these models have not been able to predict the observed deposition where flow disturbances occur, such as at chokes, tubing joints, gas lift valves and safety valves. This can lead to unexpected failures of critical equipment such as downhole safety valves (DHSV’s), and operational issues such as failure to access the well for coiled tubing operations due to tubing restrictions. In recent years it has been recognised that the turbulence found at these locations increases the likelihood of scale formation and experiments have been able to demonstrate that increased turbulence also impacts the minimum scale inhibitor concentration required to prevent scale. One of the industry standard test methods used to screen inhibitors for sulphate scale inhibition is the static bottle test. In this paper the ‘static’ bottle test method is modified to investigate the effects of increasing levels of turbulence on the formation of strontium sulphate scale at a fixed brine composition. Using this modified method it has been possible to demonstrate the impact of varying turbulence on the performance of two common generic types of scale inhibitor (phosphonate and vinyl sulphonate co-polymer). Data on the mass of scale formed, scale morphology using SEM imaging and inhibitor efficiency will be linked to degree of turbulence and scale inhibitor functionality (nucleation inhibition vs. crystal growth retardation). This study builds on the previously published10 findings for barium sulphate which showed phosphonates were less affected by turbulent conditions by carrying out similar tests on strontium sulphate. A clear mechanistic conclusion can now be drawn for sulphate scale formation and inhibition under increasingly turbulent conditions. The findings from this study have a significant impact on the methods of screening scale inhibitors for field application that should be utilised and development of suitable inhibitors that perform better under higher shear conditions.
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