摘要The effect of co-adsorption of CO molecules in the NO-CO reaction on a metal catalytic surface like Pt(001) is studied by applying the Langmuir-Hinshelwood mechanism using the Monte Carlo simulations. The system is investigated by two approaches of NO adsorption; dissociatively at two empty surface sites and molecularly at a single vacant site. The elementary steps are the same as those in the conventional Ziff-Gulari-Barshad model. With the additional reaction step of co-adsorption, the sustained production of CO2 is obtained, which has never been seen on a square lattice without introducing additional parameters. The most interesting result is the elimination of continuous second order phase transition, i.e. the production of CO2 starts as soon as the partial pressure of CO departs from zero, which is in accordance with the experimental observations. The effect of co-adsorption probability on the phase diagrams has also been studied.
Abstract：The effect of co-adsorption of CO molecules in the NO-CO reaction on a metal catalytic surface like Pt(001) is studied by applying the Langmuir-Hinshelwood mechanism using the Monte Carlo simulations. The system is investigated by two approaches of NO adsorption; dissociatively at two empty surface sites and molecularly at a single vacant site. The elementary steps are the same as those in the conventional Ziff-Gulari-Barshad model. With the additional reaction step of co-adsorption, the sustained production of CO2 is obtained, which has never been seen on a square lattice without introducing additional parameters. The most interesting result is the elimination of continuous second order phase transition, i.e. the production of CO2 starts as soon as the partial pressure of CO departs from zero, which is in accordance with the experimental observations. The effect of co-adsorption probability on the phase diagrams has also been studied.
Waqar Ahmad. Co-Adsorption of CO in NO-CO Reaction on a Metal Catalytic Surface Studied by Computer Simulation[J]. 中国物理快报, 2009, 26(3): 36401-036401.
Waqar Ahmad. Co-Adsorption of CO in NO-CO Reaction on a Metal Catalytic Surface Studied by Computer Simulation. Chin. Phys. Lett., 2009, 26(3): 36401-036401.
[1] Yaldram K and Khan M A 1992 J. Catal. 136 279 [2] Ziff R M, Gulari E and Barshad Y 1986 Phys. Rev.Lett. 56 2553 [3] Brosilow B J and Ziff R M 1992 J. Catal. 136275 [4] Ahmad W and Baloach M K 2007 Appl. Surf. Sci. 25 38447 [5] Ahmad W and Baloach M K 2006 Chin. Phys. Lett. 23 1034 [6] Meng B, Weinberg W H and Evans J W 1993 Phys. Rev. E 48 3577 [7] Kalid M, Qaisrani A U and Ahmad W 2005 Chin. Phys.Lett. 22 1533 [8] Loscar E S and Albano E V 2002 Phys. Rev. E 65066101 [9] Frink Th, Dath J P, Basset M R, Imbihl R and Ertl G 1991 Surf. Sci. 245 96 [10] Meakin P J 1990 Chem. Phys. 93 2903 [11] Khan K M and Ahmad W 2002 J. Phys. A: Math. Gen. 35 2713 [12] Khan K M and Kaldram K 2000 Surf. Sci. 445186 [13] Campbell C T, Ertl G, Kuipers H and Segner G J 1980 Chem. Phys. 73 5862 [14] Hua D Y and Ma Y Q 2002 Chin. Phys. Lett. 4534 [15] Khan K M, Ahmad W and Iqbal K 2003 Int. J. Mod.Phys. C 14 1413 [16] Ahmad W, Parvez M, Musa K B and Khalid M 2006 Physica A 364 307 [17] Waqar Ahmad, Parvez M, Musa Kaleem Baloach, Qaisarani A Uand Khalid M 2006 Appl. Surf. Sci. 25 3600 [18] Ahmad W, Baloach M K and Parvez M 2006 Chin. J.Phys. 44 440
2009, Vol. 26 
