BROWNIAN DYNAMICS SIMULATION OF SUSPENSION OF RIGID ROD UNDER PERIODIC EXTERNAL FORCE

Presented by

Srikirupa v.
Under the Guidance of

Dr K.Satheesh Kumar.

Project Description
In

this work, we study the dynamical and rheological parameters of rigid rods under steady shear flows and external periodic force using Brownian dynamics simulation We would like to study the influence of periodic external force on the dynamics of rheological property.

Applications And Importances

There are wide variety of applications in both engineering and in natural phenomena where dynamics and rheological properties of fluid suspension of small particles are relevant. applications in ink jet printers, rod like bacteria in blood etc. Simulation of rod like particles is little bit difficult compared to spherical particles as it involves constraints. .

Dynamics of rigid rods under a suspension is affected the type fluid, orientation of particles, shear flows, viscosity of fluid, the degree of isotropy of the solution etc. The factor which mainly affects the properties of suspension is the orientation of the particle which can be determined by the orientation distribution function (ODF) and the density function for the orientations of the particle

The effect of Brownian force results the random movement of particles in the suspension. It is only applicable when the particle is sufficiently small. suspensions of rigid rods produce much stronger nonNewtonian effects, such as normal stress differences, shear thinning and thickening, than a suspension of spherical particles at a similar volume fraction (Larson, 1999).

Previous Works
In

1996 Hans Ottinger developed an exact solution of suspension of rigid rods under a steady shear flow without External force. In 1995 Kumar and Ramamohan have recently demonstrated a periodically forced suspension of dipolar particles, the moments of the ODF may evolve chaotically in the weak Brownian motion regime.

Methodology

BROWNIAN DYNAMICS SIMULATION

Brownian Dynamics

Computational techniques such as Brownian Dynamics have been used for many years to efficiently simulate the motion of dilute polymer and colloidal solutions by representing the effect of the solvent on a suspended particle as a drag force plus a random force. The BD simulation approach has been developed as an alternative to analytical diffusion theories to study the diffusive dynamics and interaction between macromolecules. Brownian dynamics simulations are particularly well suited for studying the structure and rheology of complex fluids in hydrodynamic flows and other non-equilibrium situations.

External force Rigid Rod Shear flow

Here we consider the following forces 1.Hydrodynamic force (Shear flow) 2.Brownian force 3.External force

Rigid Rod
In

the field of engineering and rheology the suspension of rigid rods have great importance. rigid dumbbell model is so complex that only few of its properties can be determined analytically. we consider the rigid dumbbell models. A rigid rod consists of two identical dumbbell which is connected by a spring.

The

Here

Rigidness provide constraints. Here it represent as linear rigid rod. Where Lis the length of rigid rod and u is the unit vector.

u1=0
u2=1

u3=0

x Where u=u1i+u2j+u3k z

Shear Flow

There are different types of flow which occur naturally. The main flows are Equity flow ,uni-axial extensional flow and Shear flow. In this work we use Shear flow. shear flow is used in solid mechanics as well as in fluid dynamics. In a uniform shear flow, the particles are aligned to the flow of suspension. Particles very close to the bottom layer of fluid moves slowly as compared to the top layers.

Governing Equation

Using Newtons Second Law of motion for particle i, the neglect of Inertia means that the total force is always approximately zero.

F=ma F=0 as a=neglible or 0 Where F is a Force, m is a mass and a is acceleration.

The total force on a particle is composed of a drag force from the particle moving through the viscous solvent, a Brownian force due to random collisions of the solvent with the particle, and all non-hydrodynamic forces.

This total non-hydrodynamic force includes any external body forces, any spring forces, and any excluded volume interactions

We have developed the diffusion equation of rigid dumbbells from the previous equation.

Where u is a unit vector.

Ito calculus

It calculus, named after Kiyoshi It, extends the methods of calculus to stochastic processes such as Brownian motion (Wiener process). It has important applications in mathematical finance and stochastic differential equations. The central concept is the It stochastic integral.

Itos lemma for Brownian motion Given the differential of x(t), Itos lemma allows us to compute the differential of a function of x(t) and t. Hence, it is the chain rule for stochastic differential equations. The following result is Itos lemma when x(t) is a process governed by a stochastic differential equation driven by Brownian motion.

Itos Lemma for Brownian Motion:

Ordinary calculus is not applicable for Brownian stimulation .so we use stochatic Differential equation. The rigidness of the dumbbells introduced constraints in the governing equations of the dumbbells. The stochastic governing equations are proposed to be simulated using Ito calculus. A second order scheme such as predictor corrector method would employed for the simulation.

Numerical Methodology (Predictor corrector Method)

In this work we use A second order scheme such as predictor corrector method which will be employed for the simulation. a predictorcorrector method is an algorithm that proceeds in two steps. First, the prediction step calculates a rough approximation of the desired quantity. Second, the corrector step refines the initial approximation using another means. a predictor--corrector method typically uses an explicit method for the predictor step and an implicit method for the corrector step.

Project Coding

Here we developed Fortran Program codes.

Four Fortran codes are Executed here, They are 1. RIGID2-Second order scheme for rigid dumbbells 2. SECRES- Single time step in RIGID2 3. RANILS- Initializes random number generators. 4. RANULS- Generates a random number with uniform distribution.

Apparent Viscosity

Viscosity is the Physical property characterizing the resistance of fluids to flow.Apparent viscosity is calculated by using the following formula. AETA=3*<U2*U2> This <> bracket represent the average value. Apparent Viscosity is measured by using Viscometer .where U2 is the unit Vector.where U2=1 the rigid rod aligned to Y-axis. The mainprogram calculates the apparent viscosity for each of the particle .Then calculate average viscocity of each particle.

Preliminary Result
The out put of RIGID2 consists of five columns: 1. time-step width 2. Polymer contribution to the Viscosity 3. Statistical error bar for the polymer contribution to the viscosity 4. First normal stress coefficient 5. Statistical error bar for the first normal stress co-efficient. For each time step ,we first give the viscometric functions obtained from the Giesekus expression for the stress tensor.

Before going to the actual simulation, we reproduced the simulation results of (without external force) Ottinger (1999) Here we consider 150000 particles for simulation and 2500 iterations with time interval= 0.1 shear flow is constant and we apply the external forces F1=0, F2=F2*cos(w*ITIME*Delta) by using the above parameters to calculate the average viscosity, first normal stress difference. .

Further works

While analyzing the result obtained, we found that it may show chaotic behavior. We can also apply the perodic Shear flow to the governing equation.

THANK

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