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The Ziff-Gulari-Barshad (ZGB) model, a simplified description of the oxidation of carbon monoxide (CO) on a catalyst surface, is widely used to study properties of nonequilibrium phase transitions. In particular, it exhibits a…

Chemical Physics · Physics 2015-02-04 C. H. Chan , P. A. Rikvold

We study the behavior of the phase transitions of the Ziff-Gullari-Barshad (ZGB) model when the $CO$ molecules are adsorbed on the catalytic surface with a rate $y$ and desorbed from the surface with a rate $k$. We employ large-scale…

Statistical Mechanics · Physics 2018-09-19 Henrique A. Fernandes , Roberto da Silva , Aline Bernardi

We study by kinetic Monte Carlo simulations the catalytic oxidation of carbon monoxide on a surface in the presence of contaminants in the gas phase. The process is simulated by a Ziff-Gulari-Barshad (ZGB) model that has been modified to…

Chemical Physics · Physics 2012-04-03 G. M. Buendia , P. A. Rikvold

We study by kinetic Monte Carlo simulations the dynamic behavior of a Ziff-Gulari-Barshad (ZGB) model for the catalytic oxidation of CO on a surface. It is well known that the ZGB model presents a continuous transition between an oxygen…

Mesoscale and Nanoscale Physics · Physics 2011-12-08 C. Ojeda , G. M. Buendia

We present kinetic Monte Carlo simulations exploring the nonequilibrium phase diagram of a modified Ziff-Gulari-Barshad (ZGB) dynamic lattice-gas model for the catalytic oxidation of carbon monoxide (CO) on a surface. The modified model…

Statistical Mechanics · Physics 2015-02-03 Gloria Buendía , Per Arne Rikvold

We present a computational study of the dynamic behavior of a Ziff-Gulari-Barshad model of CO oxidation with CO desorption on a catalytic surface. Our results provide further evidence that below a critical desorption rate the model exhibits…

Materials Science · Physics 2007-05-23 E. Machado , G. M. Buendia , P. A. Rikvold , R. M. Ziff

We present a kinetic Monte Carlo study of the dynamical response of a Ziff-Gulari-Barshad model for CO oxidation with CO desorption to periodic variation of the CO presure. We use a square-wave periodic pressure variation with parameters…

Statistical Mechanics · Physics 2009-11-10 Erik Machado , Gloria M. Buendia , Per Arne Rikvold , Robert M. Ziff

We study by kinetic Monte Carlo simulations the dynamic behavior of a Ziff-Gulari-Barshad model with CO desorption for the reaction CO + O $\to$ CO$_2$ on a catalytic surface. Finite-size scaling analysis of the fluctuations and the…

Statistical Mechanics · Physics 2009-11-10 E. Machado , G. M. Buendia , P. A. Rikvold

We present results of kinetic Monte Carlo simulations of a modified Ziff-Gulari-Barshad model for the reaction CO+O --> CO_2 on a catalytic surface. Our model includes impurities in the gas phase, CO desorption, and a modification known to…

Materials Science · Physics 2013-07-26 G. M. Buendia , P. A. Rikvold

In this work, we revisited the Ziff-Gulari-Barshad (ZGB) model to study its phase transitions and critical exponents through time-dependent Monte Carlo simulations. We used a method proposed recently to locate the non-equilibrium…

Statistical Mechanics · Physics 2016-08-31 Henrique A. Fernandes , Roberto da Silva , Eder D. Santos , Paulo F. Gomes , Everaldo Arashiro

We studied in this work a modified version of the Ziff, Gulari and Barshad (ZGB) model in which the adsorption probabilities of CO and O2 are site dependent. We employed Monte Carlo simulations to determine the phase diagram of the model as…

Condensed Matter · Physics 2007-05-23 R. R. Fulco , B. C. S. Grandi

We study the dynamic behavior of the Ziff-Gulari-Barshad (ZGB) irreversible surface-reaction model around its kinetic second-order phase transition, using both epidemic and poisoning-time analyses. We find that the critical point is given…

Condensed Matter · Physics 2009-10-30 Christopher A. Voigt , Robert M. Ziff

We study the effect of coadsorption of CO and O on a Ziff-Gulari-Barshad (ZGB) model with CO desorption (ZGB-d) for the reaction CO + O --> CO_2 on a catalytic surface. Coadsorption of CO on a surface site already occupied by an O is…

Statistical Mechanics · Physics 2009-11-12 G. M. Buendia , E. Machado , P. A. Rikvold

A random distribution of inert sites is introduced in the Ziff-Gulari-Barshad model to study the phase transitions between active and poisoned states. The adsorption of ${\rm CO}$ and ${\rm O_2}$ molecules is not possible at the position of…

Statistical Mechanics · Physics 2007-05-23 Gilberto Luiz Hoenicke , Wagner Figueiredo

We present a study of the dynamical behavior of a Ziff-Gulari-Barshad model with CO desorption and lateral diffusion. Depending on the values of the desorption and diffusion parameters, the system presents a discontinuous phase transition…

Materials Science · Physics 2007-05-23 G. M. Buendia , E. Machado , P. A. Rikvold

Using kinetic Monte Carlo simulations, we study the effect of oscillatory kinetics due to surface reconstructions on Ziff-Gulari-Barshad (ZGB) model discontinuous phase transition. To investigate the transition, we do extensive finite size…

Statistical Mechanics · Physics 2012-01-17 I. Sinha , A. K. Mukherjee

We explain in a consistent manner the set of seemingly conflicting experiments on the finite temperature Mott critical point, and demonstrate that the Mott transition is in the Ising universality class. We show that, even though the…

Extensive Monte Carlo simulations are performed in order to evaluate both the local ($\theta_{l}$) and global ($\theta_{g}$) persistence exponents in the Ziff-Gulari-Barshad (ZGB) (Phy. Rev. Lett. {\bf 56}, 2553, (1986)) irreversible…

Condensed Matter · Physics 2009-10-31 Ezequiel Albano , Miguel A. Munoz

In this work, we present an extensive computational study on the Ziff-Gulari-Barshad (ZGB) model extended in order to include the spatial diffusion of oxygen atoms and carbon monoxide molecules, both adsorbed on the surface. In our…

Statistical Mechanics · Physics 2018-08-01 Roberto da Silva , Henrique Almeida Fernandes

In this paper, we revisit the ZGB model and explore the effects of the presence of inert sites on the catalytic surface. The continuous and discontinuous phase transitions of the model are studied via time-dependent Monte Carlo simulations.…

Statistical Mechanics · Physics 2019-04-09 H. A. Fernandes , R. da Silva
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