BENEMERITA UNIVERSIDAD AUTONOMA DE PUEBLA

Factor de estructura esttica promedio de fluidos

simples tipo Yukawa con interacciones de muy
corto alcance.
Mnica Ledesma-Motolina,Honorina Ruiz Estrada, Juan Nieto Frausto,
Facultad de Ciencias Fsico-Matemticas BUAP. Apartado Postal 1152, 72001, Puebla, Pue., Mxico.
SUMMARY
In this study, we performed a theoretical study of the static
structure factor S (k)-component of a fluid in thermal equilibrium,
the pair interaction is modeled through the hard sphere potential
plus a Yukawa whose scope is small compared to the diameter
of a particle. This magnitude is calculated using the Blum and
Ginoza solution to the lock of a Yukawa.

1.INTRODUCTION
The aim of this paper is analyzed the static structure factor of
monodisperse colloidal systems in equilibrium states close to the
spinodal curve. We model the colloids as spheres of diameter ()
that interact in pairs through the hard sphere potential plus a
Yukawa.
(1)

and use the theory of simple liquids considering that the

isothermal compressibility is related to the static structure factor in
the wave number zero through the expression,
(2)

2. SOLUTION OF THE CLOSURE Yukawa: limit of large z.

Regard to linear order in (1 / z) and neglecting terms involving
sums of the form e-z, the equation for the cumulative parameter is
rewritten:
(10)
Of the four solutions, the root with negative physical meaning is
closer to zero.
Under these considerations, the equation for q(x) can be
approximated as follows :

The following figure is plotted a few states that make up the

spinodal curve. In the x-axis is the volume fraction and the
ordinate stands temperature.

The coefficients A, B and depend on the volume fraction of z, K

and the parameter .
3. The static structure factor.
It replaces Eq (11) in Eqs. (6) - (8) and take the inverse of S (k)
as a function of n terms of polynomials which depend on the
number of wavelengths and coefficients A, B and a,
(12)

S(k) is defined as the autocorrelation of the Fourier component of

the density of microscopic number.

For k <<1 is a Taylor expansion of the circular functions around k

= 0 and keep terms up to order k quadratic,

And is related to the Fourier transform of the total correlation

function h (r). This property and the direct correlation function c (r)
are connected through the Ornstein-Zernike equation (OZ). Using
this information we find that S (k) is written in terms of the Fourier
transform of the direct correlation function multiplied by the
number density in the bulk.

Tc =4.88K and c =0.296.

(11)

In this paper we consider the special case in which the scope of

the potential of interaction is small compared to the size of a
particle system.

(3)

4.3 Spinodal curve

The equilibrium states belonging to the spinodal curve is
calculated with an error of the order of milliseconds. For the
system analyzed, the critical state of transition from liquidvapor phase is:

Now we choose two types of thermodynamic states to plot

S (k): 1) is fixed volume fraction in the critical value
c=0.296 , and vary the temperature (figure A) and 2) two
points of the spinodal considering a very dilute and very
concentrated compared to the critical state (Figure B),
these cases are presented below.

(13)
The coefficients i (with i=1,2,3) depends on the parameter , in
addition to the parameters of the potential.
The average static structure factor for zero wave number are
obtained from Eq. (13) that k = 0.

Figure A

(14)

(4)
The calculation of S (k) is subject to obtaining C (k). We derive
this property of the solution Blum [1] Ginoza [2] for the lock of a
Yukawa:
(5)

For about 30 z, Eqs. (12) - (14) coincide with the corresponding

amounts that do not contain the approximation (1 / z) tends to
zero and are very reliable even at low temperatures and very
large z values.

and the expression known as the Baxter factorization [3].

(6)

Equation (14) is used to plot the spinodal curve. Use the

isothermal compressibility takes very large values in these states
of equilibrium, so search for those states in which the inverse of
the isothermal compressibility becomes zero.

This expression OZ equation decouples into two equations, one

for h (x) and one for c (x), which involve the function q (x) which is
related through the expression:

Figure B

4. APLICATION

4.CONCLUTIONS

(7)

System : =37 y /kB =120K.

with

4.1 Procedimiento de clculo.

i) We obtained an expression for the function of Baxter,

q(x) for values of the range (1 / z) very small compared with
the diameter of a particle.

(8)

i) It gives the steady state by assigning values to the volume

fraction and temperature
ii) It replaced the potential range values, the extent of interaction
and the temperature in Eq (9) to obtain the parameters of the
lock. These amounts and the volume fraction are substituted into
Equation (10), which is solved numerically to obtain the physical
or fis.
iii) The fis and the value of the wavenumber are substituted into
Eqs. (12) - (14) for the inverse of S (k).

The Eqs. (7) and (8) x is the distance between pairs of particles
and k is the wave number in units of the diameter of one.
Blum resolved simultaneously, decoupled OZ equations with the
closure and the condition of overlap. The solution is expressed in
terms of a cumulative parameter that satisfies a nonlinear
equation of fourth order. Further, he found the functional form of
q(x).
Under these considerations, the calculation of S (k) is as follows:
replace the expression for q(x) in Eq. (8) and the integral is
calculated analytically, the Q (k) is used resulting in Eqs . (7) and
(6).
We have done this calculation for the special case in which the
scope of the Yukawa (1 / z) is very small.
Using the mean spherical approximation, the parameters of the
lock (K z) are connected with the scope () y interaction
potential amplitude () in pairs through the expressions
(9)

4.2 Baxter fuction

The comparison between the two expressions of the Baxter
function in real space q(x) y qapro(x) below T = 10K and T = 5K.

ii) It is estimated analytically S (k) when the wave number is

zero, small compared to 1 and the remaining values.
iii) Spinodal curve was drawn, obtaining the critical state of
the system to reach the potential of 1 / 37 and a range of
interaction 120K.
iv) Our expression for S (k) is good even at low
temperatures and large values of z, can be applied to liquid
single-component monatomic and colloidal suspensions
with attractive interactions and repulsive.

Referencias
[1] L. Blum, J. Stat. Phys. 22, 661 (1980).
[2] M. Ginoza, Mol. Phys. 71 145 (1990).
[3] R. J. Baxter, Australian J. Phys. 21 , 563 (1968).
[4] Leticia Lopez Flores, Un estudio de las propiedades estadisticas de
fluidos tipo Yukawa, Tesis de licenciatura, FCFM-BUAP 2008.