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D ISCOTIC COLLOIDAL PARTICLES AGGREGATION

UNDER MODEL POTENTIALS STUDIED THROUGH
B ROWNIAN D YNAMICS
J. N EFTALÍ M ORILLO G ARCÍA , B RUNO M ARTÍNEZ H AYA , A LEJANDRO C UETOS
M ENÉNDEZ {D EPARTMENT OF P HYSICAL , C HEMICAL AND N ATURAL S YSTEMS ,
U NIVERSIDAD PABLO DE O LAVIDE , 41013 S EVILLA , S PAIN }
B ACKGROUND

OGBK P OTENTIALS

Applying brownian dynamics to discotic particles of L/R=0.1 in an interval of low densities
and temperature the dynamic aggregation show high dependancy on the interaction potential.
The potentials applied have geometry and orientation dependancy:  

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• Kihara UOKIH (dm ) = 4 (L/dm ) − (L/dm )
• Gay-Berne-Kihara UOGBK (rij ,ûi ,ûj ) = OGB (ˆr,ij ûi ,ûj )UOKIH (dm )
– Factor OGB enclose parameters κ0 ,ν and µ which determine the interactions resulting from the orientation of the particles and shape of the potential.
Implementing the Brownian motion condition, the sum of the drag forces, brownian forces,
and not hydrodinamic forces must be zero.
Figure 1: Representation of oblate spherocylinders. a)GBK 0.2,2,1 b) GBK 5,1,1

• Fitot = Fid + FiB + Finh ' 0
The trajectory is obteined integrating forward in time as: ri (t + δt) ' ri (t) +

OGBK 5,1,1
The parameters of the Gay-Berne factor
(OGB )were selected in this case to favor face
to face interactions(κ0 =5,ν=1,µ=1)

dri
dt 

(t)∆t

K IHARA
The uniformity of this potential allows aggregation to start at lower temperatures than
the rest, forming amorphous isotropic phase
clusters.

Figure 2: Internal energy versus temperature at
constant densities. This potential enhance columnar phase clusters at T ∼ 1.

Figure 4: Internal energy versus temperature at
constant densities.

Figure 3: Snapshot at T=1.2 and ρ=0.3

Figure 5: Snapshot at T=0.2 and ρ=0.3

OGBK 0.2,2,1
The parameters of the Gay-Berne factor
(OGB )were selected in this case to favor edge
to edge interactions(κ0 =0.2,ν=2,µ=1)

Figure 6: Internal energy versus temperature at
constant densities. This potential shows aggregation at higher temperatures, also consuming the
biggest amount of energy per particle to aggregate.

Figure 7: Snapshot at T=1 and ρ=0.3

C ONCLUSIONS
We found aggregates with different geometries at low temperatures and low densities. The aggregation behaviour is highly influenced by the
potential applied