Inequivalent models of irreversible dimer filling: ‘‘Transition state’’ dependence

Thumbnail Image
Date
1990
Authors
Nord, R.
Evans, James
Major Professor
Advisor
Committee Member
Journal Title
Journal ISSN
Volume Title
Publisher
Authors
Person
Evans, James
Professor
Research Projects
Organizational Units
Organizational Unit
Ames National Laboratory

Ames National Laboratory is a government-owned, contractor-operated national laboratory of the U.S. Department of Energy (DOE), operated by and located on the campus of Iowa State University in Ames, Iowa.

For more than 70 years, the Ames National Laboratory has successfully partnered with Iowa State University, and is unique among the 17 DOE laboratories in that it is physically located on the campus of a major research university. Many of the scientists and administrators at the Laboratory also hold faculty positions at the University and the Laboratory has access to both undergraduate and graduate student talent.

Organizational Unit
Physics and Astronomy
Physics and astronomy are basic natural sciences which attempt to describe and provide an understanding of both our world and our universe. Physics serves as the underpinning of many different disciplines including the other natural sciences and technological areas.
Organizational Unit
Mathematics
Welcome to the exciting world of mathematics at Iowa State University. From cracking codes to modeling the spread of diseases, our program offers something for everyone. With a wide range of courses and research opportunities, you will have the chance to delve deep into the world of mathematics and discover your own unique talents and interests. Whether you dream of working for a top tech company, teaching at a prestigious university, or pursuing cutting-edge research, join us and discover the limitless potential of mathematics at Iowa State University!
Journal Issue
Is Version Of
Versions
Series
Department
Ames National LaboratoryPhysics and AstronomyMathematics
Abstract

Irreversible adsorption of diatomics on crystalline surfaces is sometimes modeled as random dimer filling of adjacent pairs of sites on a lattice. We note that this process can be implemented in two distinct ways: (i) randomly pick adjacent pairs of sites,  jj’, and fill  jj’ only if both are empty (horizontal transition state); or (ii) randomly pick a single site,  j, and if  j and at least one neighbor are empty, then fill  j and a randomly chosen empty neighbor (vertical transition state). Here it is instructive to consider processes which also include competitive random monomer filling of single sites. We find that although saturation (partial) coverages differ little between the models for pure dimer filling, there is a significant difference for comparable monomer and dimer filling rates. We present exact results for saturation coverage behavior for a linear lattice, and estimates for a square lattice. Ramifications for simple models of CO oxidation on surfaces are indicated.

Comments

This article is published as Nord, R. S., and J. W. Evans. "Inequivalent models of irreversible dimer filling:‘‘Transition state’’dependence." The Journal of chemical physics 93, no. 11 (1990): 8397-8398, doi:10.1063/1.459273. Posted with permission.

Description
Keywords
Citation
DOI
Copyright
Mon Jan 01 00:00:00 UTC 1990
Collections