Výsledky vyhledávání - "Joanne L. Cook"

Translation of Chemical Structure into Dissipative Particle Dynamics Parameters for Simulation of Surfactant Self-Assembly

Autor: Christopher A. Hunter, Patrick B. Warren, Ennio Lavagnini, Joanne L. Cook

Publikováno v: The Journal of Physical Chemistry. B

Dissipative particle dynamics (DPD) can be used to simulate the self-assembly properties of surfactants in aqueous solutions, but in order to simulate a new compound, a large number of new parameters are required. New methods for the calculation of r

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Functional group interaction profiles: a general treatment of solvent effects on non-covalent interactions

Autor: Mark J. Williamson, Mark D. Driver, Joanne L. Cook, Christopher A. Hunter

Publikováno v: Chemical Science

Solvation has profound effects on the behaviour of supramolecular systems, but the effects can be difficult to predict even at a qualitative level. Functional group interaction profiles (FGIPs) provide a simple visual method for understanding how sol

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Growth of wormlike micelles in nonionic surfactant solutions: Quantitative theory vs. experiment

Autor: Eddie G. Pelan, Joanne L. Cook, Ian P. Stott, Peter A. Kralchevsky, Krassimir D. Danov, Simeon D. Stoyanov

Publikováno v: Advances in Colloid and Interface Science
Advances in Colloid and Interface Science, 256, 1-22
Advances in Colloid and Interface Science 256 (2018)

Despite the considerable advances of molecular-thermodynamic theory of micelle growth, agreement between theory and experiment has been achieved only in isolated cases. A general theory that can provide self-consistent quantitative description of the

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Analytical modeling of micelle growth. 3. Electrostatic free energy of ionic wormlike micelles -- effects of activity coefficients and spatially confined electric double layers

Autor: Ian P. Stott, Peter A. Kralchevsky, Simeon D. Stoyanov, Joanne L. Cook, Krassimir D. Danov

Publikováno v: Journal of Colloid and Interface Science, 581(Part A), 262-275
Journal of Colloid and Interface Science 581 (2021) Part A

Hypotheses: To correctly predict the aggregation number and size of wormlike micelles from ionic surfactants, the molecular-thermodynamic theory has to calculate the free energy per molecule in the micelle with accuracy better than 0.01 kT, which is

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Analytical modeling of micelle growth. 4. Molecular thermodynamics of wormlike micelles from ionic surfactants: theory vs. experiment

Autor: Rumyana D. Stanimirova, Ian P. Stott, Simeon D. Stoyanov, Krassimir D. Danov, Peter A. Kralchevsky, Joanne L. Cook

Publikováno v: Journal of Colloid and Interface Science, 584, 561-581
Journal of Colloid and Interface Science 584 (2021)

Hypotheses: The aggregation number and length of spherocylindrical (rodlike, wormlike) micelles in solutions of an ionic surfactant and salt can be predicted knowing the molecular parameters and the input concentrations of the species. This can be ac

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Analytical modeling of micelle growth. 1. Chain-conformation free energy of binary mixed spherical, wormlike and lamellar micelles

Autor: Krassimir D. Danov, Ian P. Stott, Peter A. Kralchevsky, Simeon D. Stoyanov, Joanne L. Cook

Publikováno v: Journal of Colloid and Interface Science, 547, 245-255
Journal of Colloid and Interface Science 547 (2019)

Hypotheses A quantitative molecular-thermodynamic theory of the growth of giant wormlike micelles of nonionic surfactants can be developed on the basis of a generalized model, which includes the classical “phase separation” and “mass action”

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Analytical modeling of micelle growth. 2. Molecular thermodynamics of mixed aggregates and scission energy in wormlike micelles

Autor: Ian P. Stott, Krassimir D. Danov, Joanne L. Cook, Peter A. Kralchevsky, Simeon D. Stoyanov

Publikováno v: Journal of Colloid and Interface Science 551 (2019)
Journal of Colloid and Interface Science, 551, 227-241

Hypotheses Quantitative molecular-thermodynamic theory of the growth of giant wormlike micelles in mixed nonionic surfactant solutions can be developed on the basis of a generalized model, which includes the classical “phase separation” and “ma

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https://research.wur.nl/en/publications/analytical-modeling-of-micelle-growth-2-molecular-thermodynamics-

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Interplay of Self-Association and Solvation in Polar Liquids

Autor: Hongmei Sun, Caroline M. R. Low, Jeremy G. Vinter, Valeria Amenta, Christopher A. Hunter, Joanne L. Cook

Publikováno v: Journal of the American Chemical Society. 135:12091-12100

The association constants for formation a 1:1 complex between 4-phenyl azophenol and tri-n-butylphosphine oxide were measured in mixtures of n-octane and n-decanol, n-octane and n-hexanoic acid, and n-octane and 2-ethylhexyl acetamide. The experiment

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https://doi.org/10.1021/ja405799q

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