Chemistry & Reaction Engineering
Reaction Engineering Simulators
A focused Chemistry & Reaction Engineering hub for reaction engineering tools, keeping related formulas, assumptions, and engineering checks together.
19 simulators
Adjacent categories
Simulator list
Adiabatic Reactor Temperature Rise Simulator
Reaction Engineering
Find out how hot the reaction mixture gets when an exothermic reaction runs without releasing any heat to its surroundings.
Axial Dispersion Reactor Model Simulator
Reaction Engineering
A real tubular reactor operates exactly between an ideal plug-flow reactor (PFR) and a perfectly mixed tank (CSTR).
Chemical Reaction Kinetics Simulator — Concentration-Time Profiles
Reaction Engineering
Simulate 1st/2nd order, reversible & consecutive chemical reaction kinetics in real-time. Automatically compute rate constants and equilibrium concentrations.
CSTR vs PFR Comparison Simulator
Reaction Engineering
Compare exit concentration, conversion and required volume of CSTR vs PFR for a first-order reaction A to B in real time using flow rate, volume and rate constant.
Damköhler Number Simulator
Reaction Engineering
Explore the dimensionless number that governs chemical-reactor performance — the Damköhler number Da.
Thin-Layer Drying Page Model Simulator
Reaction Engineering
Predict thin-layer drying of rice, wheat, apple slices, coffee beans and other foods and agricultural products with the semi-empirical Page model MR = exp(-k·t^n).
Gibbs Free Energy Simulator — Reaction Spontaneity and Equilibrium Constant
Reaction Engineering
Use Delta G = Delta H - T Delta S to compute, in real time, the Gibbs free-energy change Delta G, T Delta S, spontaneity flag and equilibrium constant K = exp(-Delta G /…
Hess's Law & Reaction Enthalpy Calculator
Reaction Engineering
Enter standard enthalpies of formation to compute reaction enthalpy ΔH°. Visualize the energy level diagram in real time. Presets for typical reactions (combustion, form…
Stirred Tank Reactor & Mixing Calculator
Reaction Engineering
Calculate mixing time, power draw, Reynolds number, and CSTR conversion in real time. Set impeller type, speed, and fluid properties for your stirred tank reactor.
Pyrolysis Kinetics Calculator
Reaction Engineering
Calculate pyrolysis kinetics for wood, polymers, coal & more. Compute Arrhenius constants, TGA profiles, and conversion curves in real time.
Reaction-Diffusion Simulator
Reaction Engineering
Create Turing patterns like spots & stripes in real time with the Gray-Scott model simulator. Adjust parameters and explore the reaction-diffusion equations.
Reaction Kinetics Calculator · Arrhenius Equation
Reaction Engineering
Plot reaction kinetics in real time. Visualize concentration decay, half-life, and the effect of activation energy using the Arrhenius equation.
Arrhenius Equation Reaction Rate Simulator
Reaction Engineering
Calculate rate constants using the Arrhenius equation and visualize how temperature and activation energy affect reaction rates.
Reaction Selectivity Simulator
Reaction Engineering
A reactor-design tool for making the desired product efficiently.
Chemical Reactor Design (CSTR & PFR) — Volume, Conversion, Levenspiel Plot
Reaction Engineering
Compare CSTR and PFR reactor volumes instantly. Input kinetics, conversion, and flow to see Levenspiel plots and design equations.
Residence Time Distribution (RTD) Simulator
Reaction Engineering
Compute the residence time distribution E(t) that describes how long fluid elements stay inside a flow reactor. Switch between an ideal CSTR, PFR, tanks-in-series or lam…
Semi-Batch Reactor Simulator
Reaction Engineering
Model a semi-batch reactor in which reactant B is charged at the start and reactant A is dosed in slowly during the run. Vary the feed rate, rate constant and initial ch…
Thiele Modulus & Catalyst Effectiveness Factor Simulator
Reaction Engineering
Inside a porous catalyst pellet, reaction and diffusion compete with each other.
Turing Pattern Reaction-Diffusion Simulator — Self-Organizing Patterns
Reaction Engineering
Simulate Turing patterns like leopard spots & zebra stripes. Adjust feed & kill rates in the Gray-Scott model to explore self-organizing chemical reactions.
How to Use
- Select reaction type (exothermic, endothermic, or catalytic) and input kinetic parameters: activation energy (kJ/mol), pre-exponential factor (s⁻¹), and reaction order
- Define reactor operating conditions: inlet temperature (K), residence time (s), initial concentration (mol/L), and cooling/heating rate (W/m²K)
- Filter results by category: conversion efficiency, selectivity, yield, thermal stability, or safety margin. The simulator calculates rate constants via Arrhenius equation and solves material/energy balances using Runge-Kutta integration
Worked Example
Esterification of acetic acid with ethanol at 60°C in a 10 L CSTR: Ea=65.2 kJ/mol, A=8.1×10⁸ s⁻¹, k(333K)=0.0142 min⁻¹, inlet concentration=2.0 mol/L acetic acid, residence time=45 min, isothermal jacket at 333K. Simulator predicts conversion X=58.3%, yield=1.16 mol/L product, adiabatic temperature rise ΔT=12.4K. Heat duty required=42.8 kW to maintain setpoint.
Practical Notes
- For highly exothermic reactions (ΔH <-200 kJ/mol), validate adiabatic temperature rise against boiling point and decomposition onset; runaway risk exists above 0.15 K/s rise rate
- Catalyst deactivation models assume first-order decay; adjust pre-exponential factor downward by 3-5%/day for fixed-bed reactors operating >6 hours continuous
- Selectivity filters exclude secondary reactions when concentration ratios exceed stoichiometry by >20%; confirm side product formation experimentally at scale-up