✦ LIBER ✦

The influence of surface reconstruction on the kinetics of adsorption-desorption processes: A Monte Carlo study of a simple model

✍ Scribed by V. Bustos; G. Zgrablich; V. P. Zhdanov

Publisher: Springer
Year: 1993
Tongue: English
Weight: 706 KB
Volume: 56
Category: Article
ISSN: 1432-0630
DOI: 10.1007/bf00351906

No coin nor oath required. For personal study only.

✦ Synopsis

The influence of surface reconstruction on the kinetics of adsorption-desorption processes is studied through a simple two-position model by means of Monte Carlo simulation. Effects due to constraints on the translational motion of activated complexes and to heterogeneity are particularly investigated. Heterogeneity emerges as the most important factor to explain the huge variation of the preexponential Arrhenius parameter with coverage observed in the H/W(001) system. In the present model it is conjectured that heterogeneity originates from additional interactions of H with surface or sub-surface W atoms when hydrogen is adsorbed on sites where surface W atoms are farther apart due to reconstruction.

📜 SIMILAR VOLUMES

A Monte Carlo simulation for the precurs

A Monte Carlo simulation for the precursor model of adsorption on a spatially homogeneous surface

✍ T. Nordmeyer; F. Zaera 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 359 KB

The kinetics for the non-dissociative adsorption of gas phase molecules on a spatially homogeneous square lattice was simulated using a Monte Carlo method which accounts for the existence of an extrinsic precursor state. We find the sticking coefficients obtained using our simulations to be lower th

Reconstruction of Diamond (001) Surface:

Reconstruction of Diamond (001) Surface: A Monte Carlo Study with the Tersoff Potential

✍ Petukhov, A. V. ;Fasolino, A. ;Passerone, D. ;Ercolessi, F. 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 203 KB 👁 2 views

Adsorption-desorption processes on the s

Adsorption-desorption processes on the surfaces of a hollow filament

✍ S. P. Nikitina; V. D. Filippova; A. P. Borshchev 📂 Article 📅 1985 🏛 Springer US 🌐 English ⚖ 147 KB

Monte Carlo simulations of the adsorptio

Monte Carlo simulations of the adsorption of a single polymer chain on rough surfaces

✍ W. Gottstein; S. Kreitmeier; M. Wittkop; D. Göritz; F. Gotsis 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 777 KB

The adsorption of a single chain on structured surfaces is investigated using the bond-fluctuation model. The different surfaces were a flat, a stick-like, a pyramidal surface and a surface with square holes. The adsorption starts at about the same temperature for all surface structures, therefore d

Monte Carlo simulations of the exchange

Monte Carlo simulations of the exchange kinetics of polymers adsorbed on a solid surface

✍ Hisao Takeuchi 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 178 KB 👁 2 views

The exchange kinetics of polymers adsorbing on a solid surface is extensively studied by dynamic Monte Carlo simulations. A model employed simulates a semidilute polymer solution placed in contact with a solid surface that attracts polymer segments by the adsorption interaction (v s ). The exchange

A kinetic study of the adsorption and de

A kinetic study of the adsorption and desorption process of two commercial molecular sieves

✍ Kenneth Werling; Roland Wimmerstedt 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 409 KB

A mathematical model and ds numerical solution IS presented to descnbe adiabatic adsorption-desorptlon processes m a fixed bed when the mass and heat transfer can be described by external film transfer coeficlents only, wluch 1s especially mterestmg m the case of non-umform. uregular parWes A new me