#include#include using namespace std; using namespace Reaction; int main() { // Define the reaction: ReactionSystem rs; rs.AddReaction("A -> B + C", RateConstant(0.1)); // Set initial conditions: RealVector y0(1); y0[0] = 1.0; // Set up the solver: ODESolver solver(rs, ExplicitEuler); solver.SetAbsoluteTolerance(1e-6); solver.SetRelativeTolerance(1e-6); // Integrate and print results: RealVector tspan = linspace(0.0, 10.0, 101); RealMatrix y = solver.Solve(y0, tspan); cout << "Time\tA\tB\tC\n"; for (unsigned int i = 0; i < tspan.size(); i++) { cout << tspan[i] << "\t" << y(i, 0) << "\t" << y(i, 1) << "\t" << y(i, 2) << "\n"; } return 0; }
#includeThis code simulates a system with four species (A, B, C, and D) and two reactions. A reacts to form B and C, while B reacts to form C and D. The initial conditions are defined to have only A and B present, and the simulation is run from t=0 to t=10 seconds. The output shows the concentration of each species at each time step. In conclusion, Reaction is a C++ package library designed to simulate chemical reaction systems. It provides a set of functionalities in the form of solvers, integration routines, and simulation of homogeneous and heterogeneous reactions.#include using namespace std; using namespace Reaction; int main() { // Define the system: ReactionSystem rs; rs.AddSpecies("A", 1.0); rs.AddSpecies("B", 0.5); rs.AddSpecies("C", 0.0); rs.AddSpecies("D", 0.0); rs.AddReaction("A -> B + C", RateConstant(0.1)); rs.AddReaction("B -> C + D", RateConstant(0.5)); // Set initial conditions: RealVector y0(4); y0[0] = 1.0; y0[1] = 0.5; y0[2] = 0.0; y0[3] = 0.0; // Set up the solver: ODESolver solver(rs, RungeKutta4); solver.SetAbsoluteTolerance(1e-6); solver.SetRelativeTolerance(1e-6); // Integrate and print results: RealVector tspan = linspace(0.0, 10.0, 101); RealMatrix y = solver.Solve(y0, tspan); cout << "Time\tA\tB\tC\tD\n"; for (unsigned int i = 0; i < tspan.size(); i++) { cout << tspan[i] << "\t" << y(i, 0) << "\t" << y(i, 1) << "\t" << y(i, 2) << "\t" << y(i, 3) << "\n"; } return 0; }