Mean-field study of the synergic effect of the CO–NO reaction on a heterogeneous substrate of interconnected sectors

2010 ◽  
Vol 88 (4) ◽  
pp. 383-392
Author(s):  
Joaquín Cortés ◽  
Eliana Valencia
Keyword(s):  
Field Theory ◽  
Activation Energy ◽  
Kinetic Model ◽  
Bimetallic Catalyst ◽  
Reaction Order ◽  
Mean Field Theory ◽  
Mean Field ◽  
Reduction Reaction ◽  
Synergic Effect ◽  
Heterogeneous Catalytic

A mean-field theory study is made of the behaviour of a kinetic model of the reduction reaction of NO by CO catalyzed by a surface with simple heterogeneity consisting of two interconnected sectors that differ in their NO dissociation activation energy. A synergistic effect is manifested in the activity, apparent activation energy, and reaction order of the system. This situation, analogous to that observed in the literature in the case of a heterogeneous catalytic particle, is used in the paper to analyze a real case of a bimetallic catalyst.

Mean field theory of n-layer unbinding

1993 ◽  
Vol 3 (3) ◽  
pp. 385-393 ◽  
Author(s):  
W. Helfrich
Keyword(s):  
Field Theory ◽  
Mean Field Theory ◽  
Mean Field

scholarly journals Evidence of exactness of the mean-field theory in the nonextensive regime of long-range classical spin models

2000 ◽  
Vol 61 (17) ◽  
pp. 11521-11528 ◽  
Author(s):  
Sergio A. Cannas ◽  
A. C. N. de Magalhães ◽  
Francisco A. Tamarit
Keyword(s):  
Field Theory ◽  
Long Range ◽  
Mean Field Theory ◽  
Mean Field ◽  
Spin Models ◽  
Classical Spin ◽  
The Mean ◽  
Classical Spin Models

scholarly journals Intrinsic dissipative Floquet superconductors beyond mean-field theory

2021 ◽  
Vol 104 (1) ◽  
Author(s):  
Qinghong Yang ◽  
Zhesen Yang ◽  
Dong E. Liu
Keyword(s):  
Field Theory ◽  
Mean Field Theory ◽  
Mean Field

scholarly journals Single Chain Mean-Field Theory Study on Responsive Behavior of Semiflexible Polymer Brush

Materials ◽  
2021 ◽  
Vol 14 (4) ◽  
pp. 778
Author(s):  
Yingli Niu ◽  
Xiangyu Bu ◽  
Xinghua Zhang
Keyword(s):  
Field Theory ◽  
Message Passing Interface ◽  
Mean Field Theory ◽  
Mean Field ◽  
Algorithmic Complexity ◽  
Ensemble Average ◽  
Single Chain ◽  
Metropolis Monte Carlo ◽  
Rigid Rod ◽  
Chain Conformations

The application of single chain mean-field theory (SCMFT) on semiflexible chain brushes is reviewed. The worm-like chain (WLC) model is the best mode of semiflexible chain that can continuously recover to the rigid rod model and Gaussian chain (GC) model in rigid and flexible limits, respectively. Compared with the commonly used GC model, SCMFT is more applicable to the WLC model because the algorithmic complexity of the WLC model is much higher than that of the GC model in self-consistent field theory (SCFT). On the contrary, the algorithmic complexity of both models in SCMFT are comparable. In SCMFT, the ensemble average of quantities is obtained by sampling the conformations of a single chain or multi-chains in the external auxiliary field instead of solving the modified diffuse equation (MDE) in SCFT. The precision of this calculation is controlled by the number of bonds Nm used to discretize the chain contour length L and the number of conformations M used in the ensemble average. The latter factor can be well controlled by metropolis Monte Carlo simulation. This approach can be easily generalized to solve problems with complex boundary conditions or in high-dimensional systems, which were once nightmares when solving MDEs in SCFT. Moreover, the calculations in SCMFT mainly relate to the assemble averages of chain conformations, for which a portion of conformations can be performed parallel on different computing cores using a message-passing interface (MPI).

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