Octane: Difference between revisions
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The [[pressure]], [[temperature]] and density at the [[Critical points |critical point]] have been calculated for a [[virial equation of state]] using the [[TraPPE force field |TraPPE-UA]] [[Force fields | force field]], and are given in Table I of <ref>[http://dx.doi.org/10.1063/1.3486085 Andrew J. Schultz and David A. Kofke "Virial coefficients of model alkanes", Journal of Chemical Physics '''133''' 104101 (2010)]</ref>. | The [[pressure]], [[temperature]] and density at the [[Critical points |critical point]] have been calculated for a [[virial equation of state]] using the [[TraPPE force field |TraPPE-UA]] [[Force fields | force field]], and are given in Table I of <ref>[http://dx.doi.org/10.1063/1.3486085 Andrew J. Schultz and David A. Kofke "Virial coefficients of model alkanes", Journal of Chemical Physics '''133''' 104101 (2010)]</ref>. | ||
==Virial coefficients== | ==Virial coefficients== | ||
The virial coefficients [[Second virial coefficient | <math>B_2</math>]]-<math>B_5</math> as a function of temperature for the TraPPE-UA force field have been tabulated by Schultz and Kofke <ref>[ftp://ftp.aip.org/epaps/journ_chem_phys/E-JCPSA6-133-004034/ | The virial coefficients [[Second virial coefficient | <math>B_2</math>]]-<math>B_5</math> as a function of temperature for the TraPPE-UA force field have been tabulated by Schultz and Kofke <ref>[ftp://ftp.aip.org/epaps/journ_chem_phys/E-JCPSA6-133-004034/c8.txt Schultz and Kofke EPAPS data]</ref>. | ||
==References== | ==References== | ||
<references/> | <references/> | ||
Latest revision as of 16:31, 9 September 2010
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Octane is an alkane with the molecular formula C8H18.
Critical properties[edit]
The pressure, temperature and density at the critical point have been calculated for a virial equation of state using the TraPPE-UA force field, and are given in Table I of [1].
Virial coefficients[edit]
The virial coefficients - as a function of temperature for the TraPPE-UA force field have been tabulated by Schultz and Kofke [2].
References[edit]
Related reading