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1.
J Chem Phys ; 141(7): 074709, 2014 Aug 21.
Artigo em Inglês | MEDLINE | ID: mdl-25149808

RESUMO

We study the model proposed by Ziff, Gulari, and Barshad to mimic the oxidation of carbon monoxide (CO) in the presence of fixed impurities distributed over the catalytic surface. Our focus is on the continuous phase transition between the active phase, where occurs the production of carbon dioxide (CO2), and the inactive phase, where all the non inert sites become filled with oxygen molecules. We employ Monte Carlo simulations to calculate the different ratios between moments of the order parameter at the critical point, as well as, we determine the critical exponents ß and ν⊥ as a function of the concentration of impurities. We show that the presence of impurities over the catalytic surface changes the critical behavior of the system. The critical exponents depend on the concentration of impurities and the model does not belong to the directed percolation universality class.


Assuntos
Monóxido de Carbono/química , Método de Monte Carlo , Adsorção , Catálise , Oxirredução , Oxigênio/química , Transição de Fase
2.
J Chem Phys ; 136(16): 164502, 2012 Apr 28.
Artigo em Inglês | MEDLINE | ID: mdl-22559491

RESUMO

We study a model of heterogeneous catalysis with competitive reactions between two monomers A and B. We assume that reactions are dependent on temperature and follow an anti-Arrhenius mechanism. In this model, a monomer A can react with a nearest neighbor monomer A or B, however, reactions between monomers of type B are not allowed. We assume attractive interactions between nearest neighbor monomers as well as between monomers and the catalyst. Through mean-field calculations, at the level of site and pair approximations, and extensive Monte Carlo simulations, we determine the phase diagram of the model in the plane y(A) versus temperature, where y(A) is the probability that a monomer A reaches the catalyst. The model exhibits absorbing and active phases separated by lines of continuous phase transitions. We calculate the static, dynamic, and spreading exponents of the model, and despite the absorbing state be represented by many different microscopic configurations, the model belongs to the directed percolation universality class in two dimensions. Both reaction mechanisms, Arrhenius and anti-Arrhenius, give the same set of critical exponents and do not change the nature of the universality class of the catalytic models.

3.
Phys Rev E Stat Nonlin Soft Matter Phys ; 83(3 Pt 1): 031108, 2011 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-21517455

RESUMO

We determine the critical behavior of a reactive model with many absorbing configurations. Monomers A and B land on the sites of a linear lattice and can react depending on the state of their nearest-neighbor sites. The probability of a reaction depends on temperature of the catalyst as well as on the energy coupling between pairs of nearest-neighbor monomers. We employ Monte Carlo simulations to calculate the moments of the order parameter of the model as a function of temperature. Some ratios between pairs of moments are independent of temperature and are in the same universality class of the contact process. We also find the dynamical critical exponents of the model and we show that they are in the directed percolation universality class whatever the values of temperature.

4.
Phys Rev E Stat Nonlin Soft Matter Phys ; 81(2 Pt 1): 021114, 2010 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-20365537

RESUMO

We study a competitive reaction model between two monomers A and B on a linear lattice. We assume that monomer A can react with a nearest-neighbor monomer A or B , but reactions between monomers of type B are prohibited. We include in our model lateral interactions between monomers as well as the effects of temperature of the catalyst. The model is considered in the adsorption controlled limit, where the reaction rate is infinitely larger than the adsorption rate of the monomers. We employ site and pair mean-field approximations as well as static Monte Carlo simulations. We determine the phase diagram of the model in the plane y_{A} versus temperature, where y_{A} is the probability that a monomer of the type A arrives at the surface. This phase diagram shows regions of active and absorbing states separated by a line of continuous phase transitions. Despite the absorbing state of the model to be strongly dependent on temperature, we show that the static critical exponents of the model belong to the same universality class of the directed percolation.

5.
Artigo em Português | MEDLINE | ID: mdl-9659735

RESUMO

Cutaneous lesions in the interdigital spaces are commonly seen in lymphedema patients and their prevention and suitable care is one of the cornerstones of any successful treatment, by preventing acute inflammations and additional worsening in limb volume and fibrosis. We obtained swab specimens from the interdigital area from 21 patients followed in the Lymphedema Unit of the Department of Vascular Surgery of the University of São Paulo; thirteen of them had lesions suggestive of tinea pedis. The pathological agent could be identified in 11 out of these 13 patients: fungal infection alone was responsible for seven lesions, Corynebacterium minutissimum for another two and both agents were isolated from two patients. Although two patients had evident clinical lesion of the skin, no fungal or bacterial species could be isolated. From the eight patients without interdigital lesions, Candida and Corynebacterium was found in one. We concluded that clinical examination has a high sensibility (84%) and specificity (91%) but the high prevalence of Corynebacterium minutissimum suggests that adequate treatment should follow careful laboratory examination.


Assuntos
Candida/isolamento & purificação , Corynebacterium/isolamento & purificação , Intertrigo/complicações , Linfedema/complicações , Adulto , Feminino , Humanos , Intertrigo/diagnóstico , Intertrigo/microbiologia , Perna (Membro) , Linfedema/diagnóstico , Linfedema/microbiologia , Masculino , Pessoa de Meia-Idade , Sensibilidade e Especificidade
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