RnD/reactor
3
0
Fork 0
Code Issues 1 Pull Requests Actions Packages Projects Releases Wiki Activity

Refactor boundary condition application in Reactor_PFR class for improved clarity and efficiency

Browse Source
This commit is contained in:
p.vanderwilt
2025-07-08 15:29:55 +02:00
parent c1e331b5f0
commit c566766c4d
1 changed files with 18 additions and 21 deletions
Download Patch File Download Diff File Expand all files Collapse all files

39
src/specificClass.js
View File

@@ -196,27 +196,6 @@ class Reactor_PFR extends Reactor {
return { topic: "Fluent", payload: { inlet: 0, F: math.sum(this.Fs), C: this.state.at(-1) }, timestamp: this.currentTime };
}
/**
* Apply boundary conditions to the reactor state.
* for inlet, apply generalised Danckwerts BC, if there is not flow, apply Neumann BC with no flux
* for outlet, apply regular Danckwerts BC (Neumann BC with no flux)
* @param {Array} state - Current reactor state without enforced BCs.
*/
_applyBoundaryConditions(state) {
if (math.sum(this.Fs) > 0) { // Danckwerts BC
const BC_C_in = math.multiply(1 / math.sum(this.Fs), [this.Fs], this.Cs_in)[0];
const BC_gradient = Array(this.n_x).fill(0);
BC_gradient[0] = -1;
BC_gradient[1] = 1;
const BC_dispersion = math.multiply((1 - this.alpha) * this.D*this.A / (math.sum(this.Fs) * this.d_x), [BC_gradient], state)[0];
state[0] = math.add(BC_C_in, BC_dispersion).map(val => val < 0 ? 0 : val);
} else { // Neumann BC (no flux)
state[0] = state[1];
}
// Neumann BC (no flux)
state[this.n_x-1] = state[this.n_x-2]
}
/**
* Tick the reactor state using explicit finite difference method.
* @param {number} time_step - Time step for the simulation [d].
@@ -251,6 +230,24 @@ class Reactor_PFR extends Reactor {
return stateNew;
}
/**
* Apply boundary conditions to the reactor state.
* for inlet, apply generalised Danckwerts BC, if there is not flow, apply Neumann BC with no flux
* for outlet, apply regular Danckwerts BC (Neumann BC with no flux)
* @param {Array} state - Current reactor state without enforced BCs.
*/
_applyBoundaryConditions(state) {
if (math.sum(this.Fs) > 0) { // Danckwerts BC
const BC_C_in = math.multiply(1 / math.sum(this.Fs), [this.Fs], this.Cs_in)[0];
const BC_dispersion_term = (1-this.alpha)*this.D*this.A/(math.sum(this.Fs)*this.d_x);
state[0] = math.multiply(1/(1+BC_dispersion_term), math.add(BC_C_in, math.multiply(BC_dispersion_term, state[1])));
} else {
state[0] = state[1];
}
// Neumann BC (no flux)
state[this.n_x-1] = state[this.n_x-2]
}
/**
* Create finite difference first derivative operator.
* @param {boolean} central - Use central difference scheme if true, otherwise use upwind scheme.