TITLE

Microscopic simulation of chemical bistability in homogeneous systems

AUTHOR(S)
Baras, F.; Mansour, M. Malek; Pearson, J. E.
PUB. DATE
November 1996
SOURCE
Journal of Chemical Physics;11/8/1996, Vol. 105 Issue 18, p8257
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Microscopic simulation is used to clarify the status of stochastic theories of homogeneous chemical systems operating in the multiple steady state region. The results demonstrate the failure of the Langevin approach, but show excellent agreement with the master equation formulation. © 1996 American Institute of Physics.
ACCESSION #
7624889

 

Related Articles

  • Semi-bottom-up coarse graining of water based on microscopic simulations. Gao, Lianghui; Fang, Weihai // Journal of Chemical Physics;11/14/2011, Vol. 135 Issue 18, p184101 

    The generalized dissipative particle dynamics (DPD) equation derived from the generalized Langevin equation under Markovian approximations is used to simulate coarse-grained (CG) water cells. The mean force and the friction coefficients in the radial and transverse directions needed for DPD...

  • Simulations of fast switching in exchange coupled longitudinal thin-film media. Hannay, J. D.; Chantrell, R. W. // Journal of Applied Physics;4/15/1999 Part 2A of 2, Vol. 85 Issue 8, p5012 

    Presents information on a study which developed a Langevin dynamic simulation of high speed switching in longitudinal thin-film media. Description of the model; Results and discussion; Conclusions.

  • Unidirectional Flux In Brownian And Langevin Simulations Of Diffusion. Singer, A.; Schuss, Z.; Nadler, B. // AIP Conference Proceedings;2005, Vol. 800 Issue 1, p400 

    Brownian and Langevin simulations of ions in solution require the maintenance of average fixed concentrations at the interface between the simulation volume and the surrounding continuum. This requires the injection of new trajectories into the simulation, which creates a unidirectional flux at...

  • Langevin dynamics simulations of ds-DNA translocation through synthetic nanopores. Forrey, Christopher; Muthukumar, M. // Journal of Chemical Physics;7/7/2007, Vol. 127 Issue 1, p015102 

    We have implemented a coarse-grained model to study voltage-driven as-DNA translocation through nanopores located in synthetic membranes. The simulated trajectory of the DNA through the nanopores was calculated using Langevin dynamics. We present the results based on more than 120 000 individual...

  • Semiclassical mode-coupling factorizations of coherent nonlinear optical response. Jansen, Thomas Ia Cour; Mukamel, Shaul // Journal of Chemical Physics;10/15/2003, Vol. 119 Issue 15, p7979 

    The identification of relevant collective coordinates is crucial for the interpretation of coherent nonlinear spectroscopies of complex molecules and liquids. Using an h expansion of Liouville space generating functions, we show how to factorize multitime nonlinear response functions into...

  • An approach based on Brownian motion for the simulation of ultrasmall semiconductor devices. Arokianathan, Clinton R.; Asenov, Asen // Journal of Applied Physics;7/1/1996, Vol. 80 Issue 1, p226 

    Presents an approach to the simulation of ultrasmall semiconductor devices based on Brownian motion of the carriers described by the Langevin equation. Discrete time approximation of the Langevin equation; Implementation of the Brownian simulation approach based on the discrete time...

  • Effective pair potentials at the McMillan–Mayer level. Guàrdia, E.; Gómez-Estévez, J. L.; Padró, J. A. // Journal of Chemical Physics;6/1/1987, Vol. 86 Issue 11, p6438 

    The Adelman theory for liquid solutions is applied to obtain state-dependent solute–solute pair potentials at the McMillan–Mayer level. Generalized Langevin dynamics simulations using these effective potentials have been performed. Radial distribution functions and time correlation...

  • Dominant reaction pathways in high-dimensional systems. Autieri, E.; Faccioli, P.; Sega, M.; Pederiva, F.; Orland, H. // Journal of Chemical Physics;2/14/2009, Vol. 130 Issue 6, pN.PAG 

    This paper is devoted to the development of a theoretical and computational framework denominated dominant reaction pathways (DRPs) to efficiently sample the statistically significant thermally activated reaction pathways, in multidimensional systems. The DRP approach is consistently derived...

  • Improvement algorithm of random numbers generators used intensively on simulation of stochastic processes. Navas Conyedo, Edisel; Torres Pupo, Carlos; Suffritti, Giuseppe B.; Gulín González, Jorge // Revista Cubana de Ciencias Informáticas;ene-mar2014, Vol. 8 Issue 1, p1 

    Choice of effective and efficient algorithms for generation of random numbers is a key problem in simulations of stochastic processes; diffusion among them. The random walk model and the Langevin's dynamical equation are the simplest ways to study computationally the diffusion. Both models, in...

Share

Read the Article

Courtesy of

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics