Square well model - Revision history

Carl McBride: Moved location of reference

2018-07-09T09:00:39Z

Moved location of reference

← Older revision		Revision as of 11:00, 9 July 2018
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	[[Direct correlation function]] <ref>[http://dx.doi.org/10.1063/1.3154583 S. Hlushak, A. Trokhymchuk, and S. Sokolowski "Direct correlation function of the square-well fluid with attractive well width up to two particle diameters", Journal of Chemical Physics '''130''' 234511 (2009)]</ref>.		[[Direct correlation function]] <ref>[http://dx.doi.org/10.1063/1.3154583 S. Hlushak, A. Trokhymchuk, and S. Sokolowski "Direct correlation function of the square-well fluid with attractive well width up to two particle diameters", Journal of Chemical Physics '''130''' 234511 (2009)]</ref>.
	==Helmholtz energy function==		==Helmholtz energy function==
	[[Helmholtz energy function]] <ref>[https://doi.org/10.1080/00268976.2017.1392051 Francisco Sastre, Elizabeth Moreno-Hilario, Maria Guadalupe Sotelo-Serna and Alejandro Gil-Villegas "Microcanonical-ensemble computer simulation of the high-temperature expansion coefficients of the Helmholtz free energy of a square-well fluid", Molecular Physics '''116''' pp. 351-360 (2018)]</ref>.		[[Helmholtz energy function]] <ref>[https://doi.org/10.1080/00268976.2017.1392051 Francisco Sastre, Elizabeth Moreno-Hilario, Maria Guadalupe Sotelo-Serna and Alejandro Gil-Villegas "Microcanonical-ensemble computer simulation of the high-temperature expansion coefficients of the Helmholtz free energy of a square-well fluid", Molecular Physics '''116''' pp. 351-360 (2018)]</ref>
			<ref>[https://doi.org/10.1080/00268976.2018.1461943 Fernando del Río, Orlando Guzmán & Félix Ordoñez Martínez "Global square-well free-energy model via singular value decomposition", Molecular Physics '''116''' pp. 2070-2082 (2018)]</ref>.
	==See also==		==See also==
	*[[2-dimensional square well model]]		*[[2-dimensional square well model]]
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	*[http://dx.doi.org/10.1063/1.4930268 J. Richard Elliott, Andrew J. Schultz and David A. Kofke "Combined temperature and density series for fluid-phase properties. I. Square-well spheres", Journal of Chemical Physics '''143''' 114110 (2015)]		*[http://dx.doi.org/10.1063/1.4930268 J. Richard Elliott, Andrew J. Schultz and David A. Kofke "Combined temperature and density series for fluid-phase properties. I. Square-well spheres", Journal of Chemical Physics '''143''' 114110 (2015)]
	*[http://dx.doi.org/10.1063/1.4993436 L. A. Padilla and A. L. Benavides "The constant force continuous molecular dynamics for potentials with multiple discontinuities", Journal of Chemical Physics '''147''' 034502 (2017)]		*[http://dx.doi.org/10.1063/1.4993436 L. A. Padilla and A. L. Benavides "The constant force continuous molecular dynamics for potentials with multiple discontinuities", Journal of Chemical Physics '''147''' 034502 (2017)]
	*[https://doi.org/10.1080/00268976.2018.1461943 Fernando del Río, Orlando Guzmán & Félix Ordoñez Martínez "Global square-well free-energy model via singular value decomposition", Molecular Physics '''116''' pp. 2070-2082 (2018)]

	[[Category: Models]]		[[Category: Models]]

Carl McBride: /* References */ Added a recent publication

2018-07-09T08:59:21Z

References: Added a recent publication

← Older revision		Revision as of 10:59, 9 July 2018
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	*[http://dx.doi.org/10.1063/1.4930268 J. Richard Elliott, Andrew J. Schultz and David A. Kofke "Combined temperature and density series for fluid-phase properties. I. Square-well spheres", Journal of Chemical Physics '''143''' 114110 (2015)]		*[http://dx.doi.org/10.1063/1.4930268 J. Richard Elliott, Andrew J. Schultz and David A. Kofke "Combined temperature and density series for fluid-phase properties. I. Square-well spheres", Journal of Chemical Physics '''143''' 114110 (2015)]
	*[http://dx.doi.org/10.1063/1.4993436 L. A. Padilla and A. L. Benavides "The constant force continuous molecular dynamics for potentials with multiple discontinuities", Journal of Chemical Physics '''147''' 034502 (2017)]		*[http://dx.doi.org/10.1063/1.4993436 L. A. Padilla and A. L. Benavides "The constant force continuous molecular dynamics for potentials with multiple discontinuities", Journal of Chemical Physics '''147''' 034502 (2017)]
			*[https://doi.org/10.1080/00268976.2018.1461943 Fernando del Río, Orlando Guzmán & Félix Ordoñez Martínez "Global square-well free-energy model via singular value decomposition", Molecular Physics '''116''' pp. 2070-2082 (2018)]

	[[Category: Models]]		[[Category: Models]]

Carl McBride: Added a recent publication

2018-01-09T11:09:36Z

Added a recent publication

← Older revision		Revision as of 13:09, 9 January 2018
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	==Direct correlation function==		==Direct correlation function==
	[[Direct correlation function]] <ref>[http://dx.doi.org/10.1063/1.3154583 S. Hlushak, A. Trokhymchuk, and S. Sokolowski "Direct correlation function of the square-well fluid with attractive well width up to two particle diameters", Journal of Chemical Physics '''130''' 234511 (2009)]</ref>.		[[Direct correlation function]] <ref>[http://dx.doi.org/10.1063/1.3154583 S. Hlushak, A. Trokhymchuk, and S. Sokolowski "Direct correlation function of the square-well fluid with attractive well width up to two particle diameters", Journal of Chemical Physics '''130''' 234511 (2009)]</ref>.
			==Helmholtz energy function==
			[[Helmholtz energy function]] <ref>[https://doi.org/10.1080/00268976.2017.1392051 Francisco Sastre, Elizabeth Moreno-Hilario, Maria Guadalupe Sotelo-Serna and Alejandro Gil-Villegas "Microcanonical-ensemble computer simulation of the high-temperature expansion coefficients of the Helmholtz free energy of a square-well fluid", Molecular Physics '''116''' pp. 351-360 (2018)]</ref>.
	==See also==		==See also==
	*[[2-dimensional square well model]]		*[[2-dimensional square well model]]

Carl McBride: /* References */ Added a recent publication

2017-07-28T10:23:26Z

References: Added a recent publication

← Older revision		Revision as of 12:23, 28 July 2017
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	*[http://dx.doi.org/10.1063/1.4826469 Yuri Reyes , César A. Flores-Sandoval and Pedro Orea "Common behavior of the critical properties of the 2D and 3D square-well fluids", Journal of Chemical Physics '''139''' 164505 (2013)]		*[http://dx.doi.org/10.1063/1.4826469 Yuri Reyes , César A. Flores-Sandoval and Pedro Orea "Common behavior of the critical properties of the 2D and 3D square-well fluids", Journal of Chemical Physics '''139''' 164505 (2013)]
	*[http://dx.doi.org/10.1063/1.4930268 J. Richard Elliott, Andrew J. Schultz and David A. Kofke "Combined temperature and density series for fluid-phase properties. I. Square-well spheres", Journal of Chemical Physics '''143''' 114110 (2015)]		*[http://dx.doi.org/10.1063/1.4930268 J. Richard Elliott, Andrew J. Schultz and David A. Kofke "Combined temperature and density series for fluid-phase properties. I. Square-well spheres", Journal of Chemical Physics '''143''' 114110 (2015)]
			*[http://dx.doi.org/10.1063/1.4993436 L. A. Padilla and A. L. Benavides "The constant force continuous molecular dynamics for potentials with multiple discontinuities", Journal of Chemical Physics '''147''' 034502 (2017)]

	[[Category: Models]]		[[Category: Models]]

Carl McBride: /* References */ Added a recent publication

2015-09-22T16:36:13Z

References: Added a recent publication

← Older revision		Revision as of 18:36, 22 September 2015
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	*[http://dx.doi.org/10.1063/1.2338307 R. López-Rendón, Y. Reyes and P. Orea "Thermodynamic properties of short-range square well fluid", Journal of Chemical Physics '''125''' 084508 (2006)]		*[http://dx.doi.org/10.1063/1.2338307 R. López-Rendón, Y. Reyes and P. Orea "Thermodynamic properties of short-range square well fluid", Journal of Chemical Physics '''125''' 084508 (2006)]
	*[http://dx.doi.org/10.1063/1.4826469 Yuri Reyes , César A. Flores-Sandoval and Pedro Orea "Common behavior of the critical properties of the 2D and 3D square-well fluids", Journal of Chemical Physics '''139''' 164505 (2013)]		*[http://dx.doi.org/10.1063/1.4826469 Yuri Reyes , César A. Flores-Sandoval and Pedro Orea "Common behavior of the critical properties of the 2D and 3D square-well fluids", Journal of Chemical Physics '''139''' 164505 (2013)]
			*[http://dx.doi.org/10.1063/1.4930268 J. Richard Elliott, Andrew J. Schultz and David A. Kofke "Combined temperature and density series for fluid-phase properties. I. Square-well spheres", Journal of Chemical Physics '''143''' 114110 (2015)]

	[[Category: Models]]		[[Category: Models]]

Carl McBride: /* References */ Added a recent publication

2013-11-06T17:00:18Z

References: Added a recent publication

← Older revision		Revision as of 19:00, 6 November 2013
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	*[http://dx.doi.org/10.1063/1.2137713 Elisabeth Schöll-Paschinger, Ana Laura Benavides and Ramon Castañeda-Priego "Vapor-liquid equilibrium and critical behavior of the square-well fluid of variable range: A theoretical study", Journal of Chemical Physics '''123''' 234513 (2005)]		*[http://dx.doi.org/10.1063/1.2137713 Elisabeth Schöll-Paschinger, Ana Laura Benavides and Ramon Castañeda-Priego "Vapor-liquid equilibrium and critical behavior of the square-well fluid of variable range: A theoretical study", Journal of Chemical Physics '''123''' 234513 (2005)]
	*[http://dx.doi.org/10.1063/1.2338307 R. López-Rendón, Y. Reyes and P. Orea "Thermodynamic properties of short-range square well fluid", Journal of Chemical Physics '''125''' 084508 (2006)]		*[http://dx.doi.org/10.1063/1.2338307 R. López-Rendón, Y. Reyes and P. Orea "Thermodynamic properties of short-range square well fluid", Journal of Chemical Physics '''125''' 084508 (2006)]
			*[http://dx.doi.org/10.1063/1.4826469 Yuri Reyes , César A. Flores-Sandoval and Pedro Orea "Common behavior of the critical properties of the 2D and 3D square-well fluids", Journal of Chemical Physics '''139''' 164505 (2013)]


	[[Category: Models]]		[[Category: Models]]

Carl McBride: Added a see also section

2013-04-10T13:56:53Z

Added a see also section

← Older revision		Revision as of 15:56, 10 April 2013
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	:''Main article: [[Square well potential: virial coefficients]]''		:''Main article: [[Square well potential: virial coefficients]]''
	==Liquid-vapour coexistence==		==Liquid-vapour coexistence==
	*[http://dx.doi.org/10.1080/00268970902889642 Achille Giacometti, Giorgio Pastore and Fred Lado "Liquid-vapor coexistence in square-well fluids: an RHNC study", Molecular Physics '''107''' pp. 555-562 (2009)]		<ref>[http://dx.doi.org/10.1080/00268970902889642 Achille Giacometti, Giorgio Pastore and Fred Lado "Liquid-vapor coexistence in square-well fluids: an RHNC study", Molecular Physics '''107''' pp. 555-562 (2009)]</ref>
	==Critical point==		==Critical point==
	*[http://dx.doi.org/10.1063/1.1677949 John J. Kozak, I. B. Schrodt and K. D. Luks "Square-Well Potential. II. Some Comments on Critical Point Behavior and Scaling Laws", Journal of Chemical Physics '''57''' pp. 206- (1972)]		<ref>[http://dx.doi.org/10.1063/1.1677949 John J. Kozak, I. B. Schrodt and K. D. Luks "Square-Well Potential. II. Some Comments on Critical Point Behavior and Scaling Laws", Journal of Chemical Physics '''57''' pp. 206- (1972)]</ref>
	*[http://dx.doi.org/10.1063/1.462080 Lourdes Vega, Enrique de Miguel, Luis F. Rull, George Jackson, and Ian A. McLure "Phase equilibria and critical behavior of square‐well fluids of variable width by Gibbs ensemble Monte Carlo simulation", Journal of Chemical Physics '''96''' pp. 2296-2305 (1992)]		<ref>[http://dx.doi.org/10.1063/1.462080 Lourdes Vega, Enrique de Miguel, Luis F. Rull, George Jackson, and Ian A. McLure "Phase equilibria and critical behavior of square‐well fluids of variable width by Gibbs ensemble Monte Carlo simulation", Journal of Chemical Physics '''96''' pp. 2296-2305 (1992)]</ref>
	*[http://dx.doi.org/10.1080/00268970902889659 Marianela Martiacuten-Betancourt, José Manuel Romero-Enrique and Luis F. Rull "Finite-size scaling study of the liquid-vapour critical point of dipolar square-well fluids", Molecular Physics '''107''' pp. 563-570 (2009)]		<ref>[http://dx.doi.org/10.1080/00268970902889659 Marianela Martiacuten-Betancourt, José Manuel Romero-Enrique and Luis F. Rull "Finite-size scaling study of the liquid-vapour critical point of dipolar square-well fluids", Molecular Physics '''107''' pp. 563-570 (2009)]</ref>

	==Direct correlation function==		==Direct correlation function==
	~~For the~~ [[~~direct~~ correlation function]] ~~see:~~		[[Direct correlation function]] <ref>[http://dx.doi.org/10.1063/1.3154583 S. Hlushak, A. Trokhymchuk, and S. Sokolowski "Direct correlation function of the square-well fluid with attractive well width up to two particle diameters", Journal of Chemical Physics '''130''' 234511 (2009)]</ref>.
	*[http://dx.doi.org/10.1063/1.3154583 S. Hlushak, A. Trokhymchuk, and S. Sokolowski "Direct correlation function of the square-well fluid with attractive well width up to two particle diameters", Journal of Chemical Physics '''130''' 234511 (2009)]		==See also==
			*[[2-dimensional square well model]]
	==References==		==References==
	<references/>		<references/>

Carl McBride: /* Critical point */ Added a publication

2011-10-18T14:29:50Z

Critical point: Added a publication

← Older revision		Revision as of 16:29, 18 October 2011
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	==Critical point==		==Critical point==
	*[http://dx.doi.org/10.1063/1.1677949 John J. Kozak, I. B. Schrodt and K. D. Luks "Square-Well Potential. II. Some Comments on Critical Point Behavior and Scaling Laws", Journal of Chemical Physics '''57''' pp. 206- (1972)]		*[http://dx.doi.org/10.1063/1.1677949 John J. Kozak, I. B. Schrodt and K. D. Luks "Square-Well Potential. II. Some Comments on Critical Point Behavior and Scaling Laws", Journal of Chemical Physics '''57''' pp. 206- (1972)]
			*[http://dx.doi.org/10.1063/1.462080 Lourdes Vega, Enrique de Miguel, Luis F. Rull, George Jackson, and Ian A. McLure "Phase equilibria and critical behavior of square‐well fluids of variable width by Gibbs ensemble Monte Carlo simulation", Journal of Chemical Physics '''96''' pp. 2296-2305 (1992)]
	*[http://dx.doi.org/10.1080/00268970902889659 Marianela Martiacuten-Betancourt, José Manuel Romero-Enrique and Luis F. Rull "Finite-size scaling study of the liquid-vapour critical point of dipolar square-well fluids", Molecular Physics '''107''' pp. 563-570 (2009)]		*[http://dx.doi.org/10.1080/00268970902889659 Marianela Martiacuten-Betancourt, José Manuel Romero-Enrique and Luis F. Rull "Finite-size scaling study of the liquid-vapour critical point of dipolar square-well fluids", Molecular Physics '''107''' pp. 563-570 (2009)]

	==Direct correlation function==		==Direct correlation function==
	For the [[direct correlation function]] see:		For the [[direct correlation function]] see:

Carl McBride: Added mention of the sticky hard sphere model

2011-03-25T09:56:51Z

Added mention of the sticky hard sphere model

← Older revision		Revision as of 11:56, 25 March 2011
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	where <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math>\epsilon</math> is the well depth, <math>r</math> is the distance between site 1 and site 2 <math>r := \|\mathbf{r}_1 - \mathbf{r}_2\|</math>, σ is the hard diameter		where <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math>\epsilon</math> is the well depth, <math>r</math> is the distance between site 1 and site 2 <math>r := \|\mathbf{r}_1 - \mathbf{r}_2\|</math>, σ is the hard diameter
	and λ > 1.		and λ > 1. For an infinitesimally narrow well one has the [[sticky hard sphere model]] proposed by Baxter.
	==Equation of state==		==Equation of state==
	:''Main article: [[Equations of state for the square well model]]''		:''Main article: [[Equations of state for the square well model]]''

Nice and Tidy: Added an early paper.

2009-10-20T15:11:43Z

Added an early paper.

← Older revision		Revision as of 17:11, 20 October 2009
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	The '''square well model''' is given by		The '''square well model''' is given by <ref>[http://dx.doi.org/10.1063/1.1696904 A. Rotenberg "Monte Carlo Equation of State for Hard Spheres in an Attractive Square Well", Journal of Chemical Physics '''43''' pp. 1198-1201 (1965)]</ref>

	:<math>		:<math>
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	*[http://dx.doi.org/10.1063/1.3154583 S. Hlushak, A. Trokhymchuk, and S. Sokolowski "Direct correlation function of the square-well fluid with attractive well width up to two particle diameters", Journal of Chemical Physics '''130''' 234511 (2009)]		*[http://dx.doi.org/10.1063/1.3154583 S. Hlushak, A. Trokhymchuk, and S. Sokolowski "Direct correlation function of the square-well fluid with attractive well width up to two particle diameters", Journal of Chemical Physics '''130''' 234511 (2009)]
	==References==		==References==
	#[http://dx.doi.org/10.1063/1.1712308 J. A. Barker and D. Henderson "Perturbation Theory and Equation of State for Fluids: The Square-Well Potential", Journal of Chemical Physics '''47''' pp. 2856-2861 (1967)]		<references/>
	#[http://dx.doi.org/10.1002/9780470142561.ch4 Kraemer D. Luks and John J. Kozak "The Statistical Mechanics of Square-Well Fluids", Advances in Chemical Physics '''37''' chapter 4 pp. 139-201 (1978)]		'''Related reading'''
	#[http://dx.doi.org/10.1063/1.2137713 Elisabeth Schöll-Paschinger, Ana Laura Benavides and Ramon Castañeda-Priego "Vapor-liquid equilibrium and critical behavior of the square-well fluid of variable range: A theoretical study", Journal of Chemical Physics '''123''' 234513 (2005)]		*[http://dx.doi.org/10.1063/1.1712308 J. A. Barker and D. Henderson "Perturbation Theory and Equation of State for Fluids: The Square-Well Potential", Journal of Chemical Physics '''47''' pp. 2856-2861 (1967)]
	#[http://dx.doi.org/10.1063/1.2338307 R. López-Rendón, Y. Reyes and P. Orea "Thermodynamic properties of short-range square well fluid", Journal of Chemical Physics '''125''' 084508 (2006)]		*[http://dx.doi.org/10.1002/9780470142561.ch4 Kraemer D. Luks and John J. Kozak "The Statistical Mechanics of Square-Well Fluids", Advances in Chemical Physics '''37''' chapter 4 pp. 139-201 (1978)]
			*[http://dx.doi.org/10.1063/1.2137713 Elisabeth Schöll-Paschinger, Ana Laura Benavides and Ramon Castañeda-Priego "Vapor-liquid equilibrium and critical behavior of the square-well fluid of variable range: A theoretical study", Journal of Chemical Physics '''123''' 234513 (2005)]
			*[http://dx.doi.org/10.1063/1.2338307 R. López-Rendón, Y. Reyes and P. Orea "Thermodynamic properties of short-range square well fluid", Journal of Chemical Physics '''125''' 084508 (2006)]
	[[Category: Models]]		[[Category: Models]]