Correction to “Effective Forces in Square Well and Square Shoulder

Addition/Correction pubs.acs.org/JPCB

Correction to “Effective Forces in Square Well and Square Shoulder Fluids” D. Fiocco, G. Pastore, and G. Foffi* J. Phys. Chem. B 2010, 114 (37), 12085−12095. DOI: 10.1021/jp105145x Some mistakes appear in the original version of our paper.1 Corrections are reported below. Such errors should be regarded as typos, as none of them affect the findings and conclusions of the paper.

⎛ R ⎞ θ λσ12 = arccos⎜ − ⎟ ⎝ 2λσ12 ⎠

1

⎛ σ 2 − R2 − λ 2σ 2 ⎞ 12 ⎟ θ λσ12 = arccos⎜ 12 R 2 λσ ⎠ ⎝ 12

2

1. EQUATION 18 Equation 18 should read 2πv 2

∫0

⎛ λ 2σ 2 − R2 − σ 2 ⎞ 12 ⎟ θ σ12 = arccos⎜ 12 2σ12R ⎠ ⎝

1

π

ρ(Sv ; R ) sin θ cos θ dθ ≈

1 dv

∑

cos θi

⎛ R ⎞ θ σ12 = arccos⎜ − ⎟ ⎝ 2σ12 ⎠

2

v < vi < v + dv

(18)

■ ■

(31)

ACKNOWLEDGMENTS We acknowledge the help of Guillaume Kon Kam King and Jérémie Breda who pointed out these errors to us.

2. NUMERICAL VALUES OF λσ12 The values of λσ12 used in the paper are λσ12 = 3.5, 6

REFERENCES

(1) Fiocco, D.; Pastore, G.; Foffi, G. J. Phys. Chem. B 2010, 114, 12085−12095.

and not λσ12 = 3.5, 5.5

as stated in the paper.

3. NORMALIZATION OF THE REDUCED FORCE The definition of the reduced force used in the paper is * (R ) = 2βf (R )/(πρσ11) f MC MC

and not * (R ) = βf (R )/(πρσ11) f MC MC

4. EQUATION 26 Equation 26 should be replaced by the following text: Sv ≡ s

with |s| = v

(26)

and the use of two new functions ρ′ and V′ such that ρ(R + s) = ρ′(s)

V (R + s) = V ′(s)

has been made, but the prime has been omitted to avoid further cluttering of the notation.

5. EQUATION 31 Equation 31 should read

Published: March 8, 2013 © 2013 American Chemical Society

3270

dx.doi.org/10.1021/jp400546f | J. Phys. Chem. B 2013, 117, 3270−3270