Continuous shouldered well model - Revision history

Carl McBride: Added a recent publication

2017-02-03T12:48:01Z

Added a recent publication

← Older revision		Revision as of 14:48, 3 February 2017
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	*[http://dx.doi.org/10.1063/1.4809744 Matej Huš , Matja Zalar and Tomaz Urbic "Correctness of certain integral equation theories for core-softened fluids", Journal of Chemical Physics '''138''' 224508 (2013)]		*[http://dx.doi.org/10.1063/1.4809744 Matej Huš , Matja Zalar and Tomaz Urbic "Correctness of certain integral equation theories for core-softened fluids", Journal of Chemical Physics '''138''' 224508 (2013)]
	*[http://dx.doi.org/10.1063/1.4909550 L. A. Cervantes, G. Jaime-Muñoz, A. L. Benavides, J. Torres-Arenas, and F. Sastre "Discrete perturbation theory for continuous soft-core potential fluids", Journal of Chemical Physics '''142''' 114501 (2015)]		*[http://dx.doi.org/10.1063/1.4909550 L. A. Cervantes, G. Jaime-Muñoz, A. L. Benavides, J. Torres-Arenas, and F. Sastre "Discrete perturbation theory for continuous soft-core potential fluids", Journal of Chemical Physics '''142''' 114501 (2015)]
			*[http://dx.doi.org/10.1016/j.molliq.2016.10.030 Miha Lukšič, Barbara Hribar-Lee, and Orest Pizio "Phase behaviour of a continuous shouldered well model fluid. A grand canonical Monte Carlo study", Journal of Molecular Liquids '''228''' pp. 4-10 (2017)]

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

Carl McBride: Corrected typo

2015-03-23T11:39:56Z

Corrected typo

← Older revision		Revision as of 13:39, 23 March 2015
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	<references/>		<references/>
	'''Related reading'''		'''Related reading'''
	*[http://dx.doi.org/10.1063/1.2830706 Alan Barros de Oliveira, Giancarlo Franzese, Paulo A. Netz, and Marcia C. Barbosa "Waterlike hierarchy of anomalies in a continuous spherical shouldered potential", Journal ~~ofChemical~~ Physics '''128''' 064901 (2008)]		*[http://dx.doi.org/10.1063/1.2830706 Alan Barros de Oliveira, Giancarlo Franzese, Paulo A. Netz, and Marcia C. Barbosa "Waterlike hierarchy of anomalies in a continuous spherical shouldered potential", Journal of Chemical Physics '''128''' 064901 (2008)]
	*[http://dx.doi.org/10.1063/1.3463424 Pol Vilaseca and Giancarlo Franzese "Softness dependence of the anomalies for the continuous shouldered well potential", Journal of Chemical Physics '''133''' 084507 (2010)]		*[http://dx.doi.org/10.1063/1.3463424 Pol Vilaseca and Giancarlo Franzese "Softness dependence of the anomalies for the continuous shouldered well potential", Journal of Chemical Physics '''133''' 084507 (2010)]
	*[http://dx.doi.org/10.1063/1.4809744 Matej Huš , Matja Zalar and Tomaz Urbic "Correctness of certain integral equation theories for core-softened fluids", Journal of Chemical Physics '''138''' 224508 (2013)]		*[http://dx.doi.org/10.1063/1.4809744 Matej Huš , Matja Zalar and Tomaz Urbic "Correctness of certain integral equation theories for core-softened fluids", Journal of Chemical Physics '''138''' 224508 (2013)]

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

2015-03-23T11:39:12Z

References: Added a recent publication

← Older revision		Revision as of 13:39, 23 March 2015
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	*[http://dx.doi.org/10.1063/1.3463424 Pol Vilaseca and Giancarlo Franzese "Softness dependence of the anomalies for the continuous shouldered well potential", Journal of Chemical Physics '''133''' 084507 (2010)]		*[http://dx.doi.org/10.1063/1.3463424 Pol Vilaseca and Giancarlo Franzese "Softness dependence of the anomalies for the continuous shouldered well potential", Journal of Chemical Physics '''133''' 084507 (2010)]
	*[http://dx.doi.org/10.1063/1.4809744 Matej Huš , Matja Zalar and Tomaz Urbic "Correctness of certain integral equation theories for core-softened fluids", Journal of Chemical Physics '''138''' 224508 (2013)]		*[http://dx.doi.org/10.1063/1.4809744 Matej Huš , Matja Zalar and Tomaz Urbic "Correctness of certain integral equation theories for core-softened fluids", Journal of Chemical Physics '''138''' 224508 (2013)]
			*[http://dx.doi.org/10.1063/1.4909550 L. A. Cervantes, G. Jaime-Muñoz, A. L. Benavides, J. Torres-Arenas, and F. Sastre "Discrete perturbation theory for continuous soft-core potential fluids", Journal of Chemical Physics '''142''' 114501 (2015)]

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

Carl McBride: Added a recent publication

2013-11-05T16:03:02Z

Added a recent publication

← Older revision		Revision as of 18:03, 5 November 2013
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	The '''continuous shouldered well model''' is given by (<ref>[http://dx.doi.org/10.1016/j.molliq.2007.08.021 Giancarlo Franzese "Differences between discontinuous and continuous soft-core attractive potentials: The appearance of density anomaly", Journal of Molecular Liquids '''136''' pp. 267-273 (2007)]</ref> Eq. 1):		The '''continuous shouldered well model''' ('''CSW''') is given by (<ref>[http://dx.doi.org/10.1016/j.molliq.2007.08.021 Giancarlo Franzese "Differences between discontinuous and continuous soft-core attractive potentials: The appearance of density anomaly", Journal of Molecular Liquids '''136''' pp. 267-273 (2007)]</ref> Eq. 1):

	:<math>\Phi_{12}(r) = \frac{U_R}{1 + \exp [\Delta(r-R_R)/a]} -U_A \exp \left[ -\frac{(r-R_A)^2}{2\delta_A^2} \right] + \left(\frac{a}{r}\right)^{24}</math>		:<math>\Phi_{12}(r) = \frac{U_R}{1 + \exp [\Delta(r-R_R)/a]} -U_A \exp \left[ -\frac{(r-R_A)^2}{2\delta_A^2} \right] + \left(\frac{a}{r}\right)^{24}</math>
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	*[http://dx.doi.org/10.1063/1.2830706 Alan Barros de Oliveira, Giancarlo Franzese, Paulo A. Netz, and Marcia C. Barbosa "Waterlike hierarchy of anomalies in a continuous spherical shouldered potential", Journal ofChemical Physics '''128''' 064901 (2008)]		*[http://dx.doi.org/10.1063/1.2830706 Alan Barros de Oliveira, Giancarlo Franzese, Paulo A. Netz, and Marcia C. Barbosa "Waterlike hierarchy of anomalies in a continuous spherical shouldered potential", Journal ofChemical Physics '''128''' 064901 (2008)]
	*[http://dx.doi.org/10.1063/1.3463424 Pol Vilaseca and Giancarlo Franzese "Softness dependence of the anomalies for the continuous shouldered well potential", Journal of Chemical Physics '''133''' 084507 (2010)]		*[http://dx.doi.org/10.1063/1.3463424 Pol Vilaseca and Giancarlo Franzese "Softness dependence of the anomalies for the continuous shouldered well potential", Journal of Chemical Physics '''133''' 084507 (2010)]
			*[http://dx.doi.org/10.1063/1.4809744 Matej Huš , Matja Zalar and Tomaz Urbic "Correctness of certain integral equation theories for core-softened fluids", Journal of Chemical Physics '''138''' 224508 (2013)]


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

Carl McBride: Added a recent publication

2010-08-30T15:17:19Z

Added a recent publication

← Older revision		Revision as of 17:17, 30 August 2010
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	~~{{stub-general}}~~		The '''continuous shouldered well model''' is given by (<ref>[http://dx.doi.org/10.1016/j.molliq.2007.08.021 Giancarlo Franzese "Differences between discontinuous and continuous soft-core attractive potentials: The appearance of density anomaly", Journal of Molecular Liquids '''136''' pp. 267-273 (2007)]</ref> Eq. 1):
	The '''continuous shouldered well model''' is given by (~~Ref~~. 1 Eq. 1):

	:<math>\Phi_{12}(r) = \frac{U_R}{1 + \exp [\Delta(r-R_R)/a]} -U_A \exp \left[ -\frac{(r-R_A)^2}{2\delta_A^2} \right] + \left(\frac{a}{r}\right)^{24}</math>		:<math>\Phi_{12}(r) = \frac{U_R}{1 + \exp [\Delta(r-R_R)/a]} -U_A \exp \left[ -\frac{(r-R_A)^2}{2\delta_A^2} \right] + \left(\frac{a}{r}\right)^{24}</math>
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	where <math>\Phi_{12}</math> is the [[intermolecular pair potential]], <math>U_R</math> is the energy of the repulsive shoulder, <math>U_A</math> is the energy of the attractive well, <math>a</math> is the diameter of the particles, and <math>r := \|\mathbf{r}_1 - \mathbf{r}_2\|</math>.		where <math>\Phi_{12}</math> is the [[intermolecular pair potential]], <math>U_R</math> is the energy of the repulsive shoulder, <math>U_A</math> is the energy of the attractive well, <math>a</math> is the diameter of the particles, and <math>r := \|\mathbf{r}_1 - \mathbf{r}_2\|</math>.
	==References==		==References==
	~~#[http:~~//dx.doi.org/10.1016/j.molliq.2007.08.021 Giancarlo Franzese "Differences between discontinuous and continuous soft-core attractive potentials: The appearance of density anomaly", Journal of Molecular Liquids '''~~136~~''' ~~pp. 267-273 (2007)]~~		<references/>
	#[http://dx.doi.org/10.1063/1.2830706 Alan Barros de Oliveira, Giancarlo Franzese, Paulo A. Netz, and Marcia C. Barbosa "Waterlike hierarchy of anomalies in a continuous spherical shouldered potential", Journal ofChemical Physics '''128''' 064901 (2008)]		'''Related reading'''
			*[http://dx.doi.org/10.1063/1.2830706 Alan Barros de Oliveira, Giancarlo Franzese, Paulo A. Netz, and Marcia C. Barbosa "Waterlike hierarchy of anomalies in a continuous spherical shouldered potential", Journal ofChemical Physics '''128''' 064901 (2008)]
			*[http://dx.doi.org/10.1063/1.3463424 Pol Vilaseca and Giancarlo Franzese "Softness dependence of the anomalies for the continuous shouldered well potential", Journal of Chemical Physics '''133''' 084507 (2010)]
	[[Category: Models]]		[[Category: Models]]

Nice and Tidy: Better defined r

2008-07-17T14:03:58Z

Better defined r

← Older revision		Revision as of 16:03, 17 July 2008
Line 4:		Line 4:
	:<math>\Phi_{12}(r) = \frac{U_R}{1 + \exp [\Delta(r-R_R)/a]} -U_A \exp \left[ -\frac{(r-R_A)^2}{2\delta_A^2} \right] + \left(\frac{a}{r}\right)^{24}</math>		:<math>\Phi_{12}(r) = \frac{U_R}{1 + \exp [\Delta(r-R_R)/a]} -U_A \exp \left[ -\frac{(r-R_A)^2}{2\delta_A^2} \right] + \left(\frac{a}{r}\right)^{24}</math>

	where <math>\Phi_{12}</math> is the [[intermolecular pair potential]], <math>U_R</math> is the energy of the repulsive shoulder, <math>U_A</math> is the energy of the attractive well, <math>a</math> is the diameter of the particles.		where <math>\Phi_{12}</math> is the [[intermolecular pair potential]], <math>U_R</math> is the energy of the repulsive shoulder, <math>U_A</math> is the energy of the attractive well, <math>a</math> is the diameter of the particles, and <math>r := \|\mathbf{r}_1 - \mathbf{r}_2\|</math>.
	==References==		==References==
	#[http://dx.doi.org/10.1016/j.molliq.2007.08.021 Giancarlo Franzese "Differences between discontinuous and continuous soft-core attractive potentials: The appearance of density anomaly", Journal of Molecular Liquids '''136''' pp. 267-273 (2007)]		#[http://dx.doi.org/10.1016/j.molliq.2007.08.021 Giancarlo Franzese "Differences between discontinuous and continuous soft-core attractive potentials: The appearance of density anomaly", Journal of Molecular Liquids '''136''' pp. 267-273 (2007)]
	#[http://dx.doi.org/10.1063/1.2830706 Alan Barros de Oliveira, Giancarlo Franzese, Paulo A. Netz, and Marcia C. Barbosa "Waterlike hierarchy of anomalies in a continuous spherical shouldered potential", Journal ofChemical Physics '''128''' 064901 (2008)]		#[http://dx.doi.org/10.1063/1.2830706 Alan Barros de Oliveira, Giancarlo Franzese, Paulo A. Netz, and Marcia C. Barbosa "Waterlike hierarchy of anomalies in a continuous spherical shouldered potential", Journal ofChemical Physics '''128''' 064901 (2008)]
	[[Category: Models]]		[[Category: Models]]

Carl McBride: New page: {{stub-general}} The '''continuous shouldered well model''' is given by (Ref. 1 Eq. 1): : $\Phi_{12}(r) = \frac{U_R}{1 + \exp [\Delta(r-R_R)/a]} -U_A \exp \left[ -\frac{(r-R_A)^2}{2\d...$

2008-02-11T16:15:43Z

New page: {{stub-general}} The '''continuous shouldered well model''' is given by (Ref. 1 Eq. 1): :<math>\Phi_{12}(r) = \frac{U_R}{1 + \exp [\Delta(r-R_R)/a]} -U_A \exp \left[ -\frac{(r-R_A)^2}{2\d...

New page

{{stub-general}}
The '''continuous shouldered well model''' is given by (Ref. 1 Eq. 1):

:<math>\Phi_{12}(r) = \frac{U_R}{1 + \exp [\Delta(r-R_R)/a]} -U_A \exp \left[ -\frac{(r-R_A)^2}{2\delta_A^2} \right] + \left(\frac{a}{r}\right)^{24}</math>

where <math>\Phi_{12}</math> is the [[intermolecular pair potential]], <math>U_R</math> is the energy of the repulsive shoulder, <math>U_A</math> is the energy of the attractive well, <math>a</math> is the diameter of the particles.
==References==
#[http://dx.doi.org/10.1016/j.molliq.2007.08.021 Giancarlo Franzese "Differences between discontinuous and continuous soft-core attractive potentials: The appearance of density anomaly", Journal of Molecular Liquids '''136''' pp. 267-273 (2007)]
#[http://dx.doi.org/10.1063/1.2830706 Alan Barros de Oliveira, Giancarlo Franzese, Paulo A. Netz, and Marcia C. Barbosa "Waterlike hierarchy of anomalies in a continuous spherical shouldered potential", Journal ofChemical Physics '''128''' 064901 (2008)]
[[Category: Models]]

Continuous shouldered well model - Revision history

Carl McBride: Added a recent publication

Carl McBride: Corrected typo

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

Carl McBride: Added a recent publication

Carl McBride: Added a recent publication

Nice and Tidy: Better defined r

Carl McBride: New page: {{stub-general}} The '''continuous shouldered well model''' is given by (Ref. 1 Eq. 1): :\Phi_{12}(r) = \frac{U_R}{1 + \exp [\Delta(r-R_R)/a]} -U_A \exp \left[ -\frac{(r-R_A)^2}{2\d...

Carl McBride: New page: {{stub-general}} The '''continuous shouldered well model''' is given by (Ref. 1 Eq. 1): : $\Phi_{12}(r) = \frac{U_R}{1 + \exp [\Delta(r-R_R)/a]} -U_A \exp \left[ -\frac{(r-R_A)^2}{2\d...$