Hexane - Revision history

Carl McBride: /* Virial coefficients */ Up to B_5 not B_6

2010-09-09T14:30:04Z

Virial coefficients: Up to B_5 not B_6

← Older revision		Revision as of 16:30, 9 September 2010
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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_6~~</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/c6.txt Schultz and Kofke EPAPS data]</ref>.		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/c6.txt Schultz and Kofke EPAPS data]</ref>.

	==See also==		==See also==
	*[[Cyclohexane]]		*[[Cyclohexane]]

Carl McBride: Added virial coefficients section

2010-09-09T14:21:48Z

Added virial coefficients section

← Older revision		Revision as of 16:21, 9 September 2010
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	~~{{Stub-general}}~~
	{{Jmol_general\|hexane.pdb\|''n''-hexane}}		{{Jmol_general\|hexane.pdb\|''n''-hexane}}
	'''Hexane''' is an [[Realistic_models#Alkanes \|alkane]] with the molecular formula C<sub>6</sub>H<sub>14</sub>.		'''Hexane''' is an [[Realistic_models#Alkanes \|alkane]] with the molecular formula C<sub>6</sub>H<sub>14</sub>.
	==Critical properties==		==Critical properties==
	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==
			The virial coefficients [[Second virial coefficient \| <math>B_2</math>]]-<math>B_6</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/c6.txt Schultz and Kofke EPAPS data]</ref>.
	==See also==		==See also==
	*[[Cyclohexane]]		*[[Cyclohexane]]

Carl McBride: Started a section on the critical properties.

2010-09-09T09:38:48Z

Started a section on the critical properties.

← Older revision		Revision as of 11:38, 9 September 2010
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	{{Jmol_general\|hexane.pdb\|''n''-hexane}}		{{Jmol_general\|hexane.pdb\|''n''-hexane}}
	'''Hexane''' is an [[Realistic_models#Alkanes \|alkane]] with the molecular formula C<sub>6</sub>H<sub>14</sub>.		'''Hexane''' is an [[Realistic_models#Alkanes \|alkane]] with the molecular formula C<sub>6</sub>H<sub>14</sub>.
			==Critical properties==
			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>.
	==See also==		==See also==
	*[[Cyclohexane]]		*[[Cyclohexane]]

Nice and Tidy: Corrected the chemical formula

2009-07-20T11:20:14Z

Corrected the chemical formula

← Older revision		Revision as of 13:20, 20 July 2009
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	{{Stub-general}}		{{Stub-general}}
	{{Jmol_general\|hexane.pdb\|''n''-hexane}}		{{Jmol_general\|hexane.pdb\|''n''-hexane}}
	'''Hexane''' is an [[Realistic_models#Alkanes \|alkane]] with the molecular formula C<sub>6</sub>H<sub>12</sub>.		'''Hexane''' is an [[Realistic_models#Alkanes \|alkane]] with the molecular formula C<sub>6</sub>H<sub>14</sub>.
	==See also==		==See also==
	*[[Cyclohexane]]		*[[Cyclohexane]]

Carl McBride: Started a page on hexane.

2009-07-20T11:14:35Z

Started a page on hexane.

New page

{{Stub-general}}
{{Jmol_general|hexane.pdb|''n''-hexane}}
'''Hexane''' is an [[Realistic_models#Alkanes |alkane]] with the molecular formula C<sub>6</sub>H<sub>12</sub>.
==See also==
*[[Cyclohexane]]
==References==
<references/>
'''Related reading'''
*[http://dx.doi.org/10.1063/1.3176413 G. Venturi, F. Formisano, G. J. Cuello, M. R. Johnson, E. Pellegrini, U. Bafile, and E. Guarini "Structure of liquid n-hexane", Journal of Chemical Physics '''131''' 034508 (2009)]
[[category: models]]
[[category: Contains Jmol]]