Equilibrium Concentration Solver for 2A + B ⇌ 2D Reaction

MATLAB script to compute the equilibrium extent of reaction and equilibrium concentrations for the chemical system 2A + B ⇌ 2D using a nonli

This MATLAB script calculates the equilibrium concentrations and extent of reaction for the chemical system:2A+B⇌2D2A + B \rightleftharpoons 2D2A+B⇌2D

using a nonlinear algebraic solver based on the equilibrium constant expression.

The program demonstrates how to use MATLAB’s fsolve to determine the equilibrium point for reactions with mass-balance constraints.

Features

• Formulates and solves the nonlinear equation for chemical equilibrium
• Calculates equilibrium concentrations of all reactants and products
• Verifies that the equilibrium constant KKK is satisfied
• Plots the nonlinear function f(x)f(x)f(x) versus extent of reaction xxx
• Fully commented and student-friendly code

Reaction Model

2A + B ⇌ 2D

Let x be the extent of reaction (in moles).

The equilibrium concentrations of each species are expressed as:

[A] = A0 - 2x

[B] = B0 - x

[D] = D0 + 2x

The equilibrium constant expression is:

K = ([D]^2) / ([A]^2 * [B])

Requirements

• MATLAB R2018a or later
• Optimization Toolbox (fsolve)

Author

Abhinav Keshewar

Department of Electrical Engineering

K.K Wagh Institute Of Engineering Education and Research, Nashik

📩 [e-mail]