Vapor pressure and sublimation rate of molecular crystals: role of internal degrees of freedom.

Vapor pressure and sublimation rate of molecular crystals: role of internal degrees of freedom. Research Abstract Details 

Research Abstract Table of Contents

Jump to the:

Vapor pressure and sublimation rate of molecular crystals: role of internal degrees of freedom. Abstract Text:

A Maiti,L A Zepeda-Ruiz,R H Gee,A K Burnham,A Maiti,L A Zepeda-Ruiz,R H Gee,A K Burnham,A Maiti,L A Zepeda-Ruiz,R H Gee,A K Burnham,

It is a common practice to approximate the desorption rate of atoms from crystal surfaces with an expression of the form nueff exp(-DeltaE/kBT), where DeltaE is an activation barrier to desorb and nueff is an effective vibrational frequency approximately 1012 s-1. For molecular solids, however, such an approximation can lead to a many orders of magnitude underestimation of vapor pressure and sublimation rates due to neglected contributions from molecular internal degrees of freedom. Here, we develop a simple working formula that yields good estimates for a general molecular (or atomic) solid and illustrate the approach by computing equilibrium vapor pressure of three different molecular solids and an atomic solid, as well as the desorption rate of a foreign (inhibitor) molecule from the surface of a molecular solid.

Vapor pressure and sublimation rate of molecular crystals: role of internal degrees of freedom. Publishing Authors By Initials

A Maiti,LA Zepeda-Ruiz,RH Gee,AK Burnham,A Maiti,LA Zepeda-Ruiz,RH Gee,AK Burnham,A Maiti,LA Zepeda-Ruiz,RH Gee,AK Burnham,

For similar abstracts research abstracts see: abstracts research

PUBMED ID PMID:

MEDLINE DATE:

Vapor pressure and sublimation rate of molecular crystals: role of internal degrees of freedom. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: The journal of physical chemistry. B

VOLUME: 111

Page Numbers: 14290-4

Journal Abbreviation:

ISSN: 1520-6106

DAY: 30

MONTH: 11

YEAR: 2007

Vapor pressure and sublimation rate of molecular crystals: role of internal degrees of freedom. Information

Number of References:

LANGUAGE: eng

NlmUniqueID: 101157530

Vapor pressure and sublimation rate of molecular crystals: role of internal degrees of freedom. Keywords Mesh Terms:

KEYWORDS:

MESH TERMS:

Chemical & Substance for Abstract: Vapor pressure and sublimation rate of molecular crystals: role of internal degrees of freedom. Information

Substance Name:

Registry Number:

Grant and Affiliation Information for Vapor pressure and sublimation rate of molecular crystals: role of internal degrees of freedom.

AFFILIATION: Lawrence Livermore National Laboratory, University of California, Livermore California 94551.

Country: United States

AGENCY:

GRANT:

ACRONYM:

MEDLINETA: J Phys Chem B

REFSOURCE:

DATABASENAME:

ACCESSION NUMBER:

Number Hits: 0

Vapor pressure and sublimation rate of molecular crystals: role of internal degrees of freedom Related Publications

• A new approach to quantify the mechanical and radiation isocentres of radiotherapy treatment machine gantries.
• A perfectly staged 'concerted action' against psychoanalysis: the 1913 congress of German psychiatrists.
• ADDRESS OF THE PRESIDENT--1964.
• Antinuclear antibodies.
• Assessment of Socio-economic Status in the Context of Food Insecurity: Implications for Field Research.
• Atypical FTA in lupus erythematosus.
• Chromosome segregation in maize translocations in relation to crossing over in interstitial segments.
• Chromosome segregation in translocations involving chromosome 6 in maize.
• Circulating progenitors in lung injury: a novel therapy for acute respiratory distress syndrome?
• Comparison of color systems with respect to uniform visual spacing.
• Immediate and long-term assistance following the bombing of the US Embassies in Kenya and Tanzania.
• Impact of language on development of auditory-visual speech perception.
• Lichen sclerosus et atrophicus and morphea.
• Lipid-lowering effects of ethyl 2-phenacyl-3-aryl-1H-pyrrole- 4-carboxylates in rodents.
• Multiband generation of mid infrared by use of periodically poled lithium niobate.
• Multiple cutaneous and conjunctival keratoacanthomata.
• NONTHROMBOCYTOPENIC PURPURA DUE TO CARBROMAL INGESTION.
• NUMEDICS--a computer system for nuclear medicine.
• Near-diffraction-limited laser beam shaping with diamond-turned aspheric optics.
• Orthographic influences on phoneme deletion response times.
• Overweight and obesity are associated with emotion- and stress-related eating as measured by the eating and appraisal due to emotions and stress questionnaire.
• PRIMARY GLAUCOMA: The Respective Values of the Different Forms of Treatment of this Disease.
• Perception of the auditory-visual illusion in speech perception by children with phonological disorders.
• Prevalence of human immunodeficiency virus infection, risk behavior, and HIV knowledge among tuberculosis patients in Afghanistan.
• REMARKS REGARDING THE DISCUSSION UPON THE AETIOLOGY AND TREATMENT OF HYPOPYON ULCER.
• The developmental course of lexical tone perception in the first year of life.
• The social evil ordinance--a social experiment in nineteenth century St. Louis.
• Vapor pressure and sublimation rate of molecular crystals: role of internal degrees of freedom.
• Variation in the initial treatment of knee monoarthritis in juvenile idiopathic arthritis: a survey of pediatric rheumatologists in the United States and Canada.
• West Bank barrier decreases access to schools and health services.