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  • 1985-1989  (5)
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  • 1
    Electronic Resource
    Electronic Resource
    Diffusion-controlled reactions. I. Molecular dynamics simulation of a noncontinuum model (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4643-4650 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The molecular dynamics simulation method is extended to study a model of diffusion-controlled reactions. This allows a molecular description of solvent at an equal footing of reactants. Nondiffusional dynamic behavior of reactive molecules is found at short times. It enhances the rate of reactive encounter in comparison to the prediction of Smoluchowski theory. The model studied in this work can be regarded as a theoretical prototype of fluorescence quenching. In this context it is shown that the nondiffusional dynamics is mainly responsible for the discrepancy between Stern–Volmer plots measured in a continuous excitation experiment or obtained by integrating the time resolved fluorescence intensity. The other aspects such as the long-time behavior of survival probability, solvent effect as well as competing effect from finite concentration of one reactive species are also studied in some detail.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456754
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Mean configurational distribution function for the steady state and stern-volmer representation (1986)
    Springer
    Reaction kinetics and catalysis letters 32 (1986), S. 331-339 
    Details
    ISSN: 1588-2837
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Abstract Некоторые расхождения наблюдались между обработками стационарного состояния диффуэионно-контрлярууемого бимолекулярного затухания возбужденных частиц либо “моделЬю пар”, либо “моделью непрерывности”. Приводится упрощенное предполозениэ, которое помогает в решении стационарного состояния, но приводит к расхождениям. Получаемые погрешности нэзначитэльны, по сравнению с точностьЮ экспериментов.
    Notes: Abstract A slight discrepancy appears between the treatment of the steady state of diffusion controlled bimolecular quenching of excited species either by the “pair model” or by the “continuum model”. A simplifying assumption is pointed out which helps to solve the steady state case but which is responsible for the discrepancy. The error involved is of small importance considering the experimental accuracy.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02068332
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Kinetics of partly diffusion controlled reactions, XVIII. The use of liquid state physics concepts for bimolecular quenching models in bidimensional space (1988)
    Springer
    Reaction kinetics and catalysis letters 36 (1988), S. 1-7 
    Details
    ISSN: 1588-2837
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Abstract Теория диффузионного контроля в кинетике реакций пересмотрена, принимая во внимание результаты физики псевдо-биразмерных жидкостей (как в случае мембран). Это приводит к важным изменениям кажущихся констант скоростей реакций.
    Notes: Abstract Theory of diffusion controlled reaction kinetics is reinvestigated, by taking into account results of pseudobidimensional liquid physics (as in the case in membranes), and leads to important changes on the apparent rate constant of reaction.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02071132
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Effect of radial distribution functions and poisson reparatition of reactants on the analysis of reactions involving long distance energy transfer (1989)
    Springer
    Reaction kinetics and catalysis letters 39 (1989), S. 199-205 
    Details
    ISSN: 1588-2837
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Abstract Исходя из одинакового распределения и при знании объемной зависимости константы скорости можно выразить эффект тушения флуоресценции. В случае передачи энергии на длинные расстояния (Forster) было показано, что введение функции радиального распределения и неодинакового повторного участия тушителей приводит лишь к незначительным эффектам на кинетику таких реакций.
    Notes: Abstract Starting from a uniform distribution and knowing the space dependent rate constant, it is possible to express the fluorescence quenching effect. In the case of long distance energy transfer (Forster), we show that the introduction of radial distribution functions and of non-uniform repartition of quenchers has only small effects on the kinetics of such reactions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02061877
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    Paper (German National Licenses)
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  • 5
    Electronic Resource
    Electronic Resource
    Kinetics of partly diffusion-controlled reaction XXI: A simple algorithm for computing the apparent rate of reaction (1989)
    New York, NY : Wiley-Blackwell
    International Journal of Chemical Kinetics 21 (1989), S. 297-314 
    Details
    ISSN: 0538-8066
    Keywords: Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Starting from Smoluchowski's hypothesis, a simple algorithm is developed in order to obtain the apparent rate constant at large values of time, t, with some physical and chemical processes, as in the case of diffusion controlled reactions. Some practical examples are illustrated, assuming nonuniform distribution function, space-dependent diffusion coefficient or short-range interaction leading to an asymptotic analytical expression of the form α + β/√t, where α and β are constants function of the system of interest.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/kin.550210502
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    Paper (German National Licenses)
    Fulltext
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