Batch Reactors

  • Derive the ODE for species mass fraction evolution in a batch reactor.
    • Which of the following does this equation hold for: constant volume, constant pressure, constant temperature, constant enthalpy?
    • Note, if you wanted to solve for moles instead of mass, you could use $dn_i/dt = \omega_iV$, where $V$ is the reactor volume, $n_i$ is the moles of a species, and $\omega_i$ is molar reaction rate per unit volume. This is an extensive equation though, so it depends on the size $V$ and total moles of species $n_i$. We could use $n_i=x_in$, but $n$, the total moles, in not constant. For a homogeneous reactor, it is nice to be able to write equations that are intensive (independent of size), which is simpler using mass/mass fractions.
  • What are the Cantera functions needed in Python to compute the density, and the reaction source term?