Irreversible immobile random adsorption of dimers, trimers,. on 2D lattices

Journal Article · Fri Mar 15 04:00:00 EST 1985 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.448279· OSTI ID:6011066

Nord, R S; Evans, J W

Models where pairs, triples, or larger (typically connected) sets of sites on a 2D lattice ''fill'' irreversibly (described here as dimer, trimer, ... filling or adsorption), either randomly or cooperatively, are required to describe many surface adsorption and reaction processes. Since filling is assumed to be irreversible and immobile (species are ''frozen'' once adsorbed), even the stationary, saturation state, which is nontrivial since the lattice cannot fill completely, is not in equilibrium. The kinetics and statistics of these processes are naturally described by recasting the master equations in hierarchic form for probabilities of subconfigurations of empty sites. These hierarchies are infinite for the infinite lattices considered here, but approximate solutions can be obtained by implementing truncation procedures. Those used here exploit a shielding property of suitable walls of empty sites peculiar to irreversible filling processes. Accurate results, including saturation coverage estimates, are presented for random filling of dimers, and trimers of different shapes, on various infinite 2D lattices, and for square tetramers on an infinite square lattice.

• Research Organization: Ames Laboratory and Department of Chemistry, Iowa State University, Ames, Iowa 50011
• DOE Contract Number: W-7405-ENG-82
• OSTI ID: 6011066
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 82:6; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ADSORPTION
CHEMICAL REACTIONS
CHEMISORPTION
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIMERS
IRREVERSIBLE PROCESSES
MATHEMATICAL MODELS
SEPARATION PROCESSES
SORPTION
SURFACES