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On the Formation of Nitrogen Oxides During the Combustion of ...

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4 Numerical Modeling and Simulation<br />

by a flow over <strong>the</strong> surface S(t ). The product ρu S,i denotes <strong>the</strong> mass flux over<br />

<strong>the</strong> surface S(t ) due to variation <strong>of</strong> <strong>the</strong> surface S(t ) in time. Since no mass is<br />

stored in <strong>the</strong> interface, <strong>the</strong> total change <strong>of</strong> mass in <strong>the</strong> liquid and gas vanishes.<br />

Moreover, <strong>the</strong> ansatz for <strong>the</strong> conservation <strong>of</strong> species follows <strong>the</strong> one for <strong>the</strong><br />

conservation <strong>of</strong> mass.<br />

The governing equations for <strong>the</strong> conservation <strong>of</strong> momentum and energy make<br />

use <strong>of</strong> <strong>the</strong> shear stress tensor τ i j [341]. The shear stress tensor in a Newtonian<br />

fluid in Cartesian coordinates in conjunction with <strong>the</strong> normal vector n j on a<br />

spherical shell is:<br />

( 4 ∂u r<br />

τ x j n j = η cosϕ cosθ<br />

3 ∂r − 4 )<br />

u r<br />

,<br />

3 r<br />

( 4 ∂u r<br />

τ y j n j = η sinϕ cosθ<br />

3 ∂r − 4 3<br />

( 4 ∂u r<br />

τ z j n j = η sinθ<br />

3 ∂r − 4 )<br />

u r<br />

.<br />

3 r<br />

u r<br />

r<br />

)<br />

, and<br />

The momentum balance in x-direction at an infinitesimally thin interface element,<br />

at r = R, ϕ=0, and θ = 0, with thickness δ → 0 and volume V → 0,<br />

gives<br />

∫<br />

d<br />

dt<br />

∫<br />

=−<br />

V (t)<br />

S(t)<br />

ρu i dV<br />

∫<br />

( )<br />

ρu i u j − u S,j n j dS−<br />

S(t)<br />

∫<br />

pn i dS+ τ i j n j dS+F σ ,<br />

S(t)<br />

(4.25)<br />

and thus<br />

ρ l u l,r<br />

(<br />

ul,r − u S,r<br />

)<br />

+ pl − η l<br />

( 4<br />

3<br />

u l,r<br />

= ρ g u g ,r<br />

(<br />

ug ,r − u S,r<br />

)<br />

+ pg − η g<br />

( 4<br />

3<br />

∂r − 4 3<br />

∂u g ,r<br />

∂r<br />

∂u l,r<br />

r<br />

)<br />

− 4 3<br />

u g ,r<br />

r<br />

)<br />

+ 2σ S<br />

R . (4.26)<br />

F σ are forces due to surface tension, and σ S is <strong>the</strong> surface tension itself.<br />

The energy balance at <strong>the</strong> interface element is calculated according to<br />

Equation (4.27), using <strong>the</strong> energy flow Ė l in <strong>the</strong> liquid and Ė g in <strong>the</strong> gas phase<br />

[200]. The respective changes <strong>of</strong> specific internal and kinetic energy are derived<br />

in line with <strong>the</strong> conservation <strong>of</strong> mass and momentum, and following<br />

126

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