The effect of a chemical reaction on compressible fluid flow

flowfluid dynamicsthermodynamics

Problem

I am interested in deriving an expression for how an instantaneous exothermic chemical reaction (where the molecules comprising the fluid are converted to a mix of smaller molecules) process influences the velocity of a compressible fluid flow. The fluid flows across a circular boundary and the surface area of the flow is constant before and after the reaction.

I will have to assume the mass stays constant throughout. There will be some increase in pressure due to the exothermic nature of the reaction, which in turn affects the compressibility of the fluid, causing the velocity to increase. I obtained an expression showing this, however I am not convinced I have the full story.

Attempt

Using the relation $V_m=\frac{M}{\rho}$, we obtain a relationship for the density of the fluid relative to the molar mass of the fluid. Which, after the chemical reaction will have decreased. Now, using the continuity of the fluid we have
$$\frac{M_1}{V_{m_1}}(\pi r_1^2)v_1=\frac{M_2}{V_{m_2}}(\pi r_2^2)v_2$$
From here the two areas must be equal in order for the surface area to stay constant, we have:
$$\frac{M_1}{M_2}\frac{V_{m_2}}{V_{m_1}}v_1=v_2$$
I am sure that there must be some formula relating the temperature change to the increase in molecules or something along those lines, however I have absolutely no experience with chemistry at all. I could assume the fluid to follow the ideal gas law and get an expression with temperature but this of course will affect the fidelity of the derivation, I am not sure whether it is a valid assumption.

If someone would be able to point me in the right direction or advise that would be great!

Best Answer

The problem can be addressed using macroscopic thermodynamics without referring to the molecular picture of the fluid. We however need to know something about the chemical composition of the fluid after the reaction. I suppose that not all of your fluid undergoes the chemical reaction, so the resulting fluid is going to be multi-component. Below, I sketch a solution of the problem under the assumption that all the components move with the same macroscopic velocity, so one can treat the fluid after the reaction as a single-component matter with some average thermodynamic properties. A more detailed solution would depend on the exact nature of your fluid, e.g. on whether the ideal-gas approximation is appropriate.

The state of the fluid is completely described by its temperature $T$, pressure $P$, density $\rho$ and velocity $v$. I assume, as you indicated, that the geometry of the problem is one-dimensional so that the velocity can be treated as a scalar. I will use indices 1 and 2 to refer to the fluid before and after the reaction. There is one relation between $T$, $P$ and $\rho$ supplied by the equation of state, so we need three additional relations to fully determine the unknown values of $T_2$, $P_2$, $\rho_2$ and $v_2$.

Mass conservation. Given that the cross-section area of the flow does not change, this amounts to the simple condition $$ \rho_1v_1=\rho_2v_2, $$ equivalent to your equation.

Momentum balance. The flow of momentum per unit area and per second in a fluid of velocity $v$ is $\rho v^2$, which is just the mass flow times velocity. Then the second law of Newton requires that $$ P_1-P_2=\rho_2v_2^2-\rho_1v_1^2. $$

Energy balance. The above two constraints are purely mechanical. Here is the only place where we need some input about the chemical reaction in the system. I will model the reaction as an instantaneous supply of heat per kilogram equal to $q$. Then the energy balance condition can be expressed in terms of increase of specific enthalpy $h$ (enthalpy per kilogram) plus specific kinetic energy (which is just $\frac12v^2$), $$ h_2+\frac12v_2^2=h_1+\frac12v_1^2+q. $$ The enthalpy itself is in turn determined by the temperature and pressure. For an ideal gas, it can be extracted for instance from the knowledge of specific heat at constant pressure.

The above set of equations together with the equation of state is sufficient to determine the final state of your fluid. As said, a more concrete solution can only be given in case you know the equation of state of your fluid. Hope this helps anyway.

EDIT. In classical thermodynamics, thermodynamic potentials such as enthalpy are only defined up to an arbitrary additive constant, which can be chosen independently for different materials. In order that the comparison of $h_1$ and $h_2$ makes sense, we therefore have to fix the reference values of the enthalpy of the fluid before and after the reaction appropriately. In my answer, I assume that the specific enthalpies of these two different fluids are equal at temperature $T_1$ and pressure $P_1$.