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Chemical Kinetics Simulation

We model reaction pathways, rate dynamics, species transport, and multi-step chemical mechanisms to predict how reactions evolve in space and time. Chemical kinetics simulations enable precise process optimisation, safer reactor design, and predictive control over chemical systems.

What Is Chemical Kinetics?

Chemical kinetics describes the rate at which reactions occur and how species concentrations evolve. Using advanced numerical solvers, we simulate multi-step reaction networks, transport effects, catalyst behaviour, energy release, and temperature coupling.

Our models incorporate Arrhenius kinetics, transition-state theory, complex reaction mechanisms, gas-phase chemistry, catalytic reactions, and coupled CFD–chemistry frameworks when required. This helps predict reaction outcomes accurately — long before experimental trials.

Why It Matters
  • Optimise reactions: Determine ideal temperatures, residence times, and reactant ratios.
  • Improve yield: Identify rate-limiting steps and eliminate inefficiencies.
  • Improve safety: Predict runaway reactions, thermal spikes, or hazardous intermediates.
  • Accelerate development: Reduce the need for trial-and-error experiments in reactors.
  • Ensure consistency: Maintain stable production conditions across scale-up stages.
50%
Reduction in experimental optimisation time
3×
Faster identification of ideal operating conditions
95%
Predictive reliability across validated reaction networks

Our Chemical Kinetics Process

Reaction System Definition: Reactant species, temperature ranges, pressure, catalysts, and target outputs.
Mechanism Setup: Multi-step pathways, branching reactions, elementary steps, activation energies.
Rate Law Selection: Arrhenius models, collision theory, transition-state theory, catalytic rate expressions.
Numerical Simulation: Time-dependent species evolution, heat release, mass transport, equilibrium prediction.
Coupled Multiphysics: Integration with CFD or reactor-scale models for realistic industrial conditions.
Post-Processing: Reaction rate analysis, sensitivity analysis, pathway dominance, intermediates stability.
Optimisation: Temperature profiling, reactant tuning, catalyst loading, and safe operating envelopes.

What We Can Simulate

  • Combustion chemistry: Detailed hydrocarbon mechanisms, ignition delay, flame kinetics.
  • Catalytic reactions: Surface kinetics, adsorption/desorption, reaction rates on active sites.
  • Industrial chemical processing: Polymerisation, cracking, reforming, oxidation.
  • Plasma-assisted chemistry: Ion-induced reactions, radical pathways, low-temperature reaction networks.
  • Electrochemical reactions: Battery kinetics, electrode interfaces, charge-transfer rates.
  • Biochemical systems: Enzyme kinetics, metabolic pathways, reaction cascades.
  • Gas-phase & liquid-phase chemistry: Homogeneous and heterogeneous reaction dynamics.

Scientific References

Reaction Rate Theory & Arrhenius Kinetics
Chemical Reviews, 2021 — Modern formulations for temperature-dependent rate constants.
Multistep Reaction Mechanisms in Industrial Chemistry
AIChE Journal, 2022 — Best practices for modelling complex reaction pathways.
Kinetics-Coupled Multiphysics
Combustion & Flame, 2023 — Integrating chemistry with CFD for high-accuracy combustion prediction.

Ready to Model Your Reaction Pathway?

From catalytic reactors to plasma-assisted chemistry — we provide precision kinetics modelling.

Get a Chemical Kinetics Quote

Designed for companies

Trionics Labs collaborates with organizations to advance research and raise Technology Readiness Levels (TRL) through simulation, prototyping, and validation. We also support IP focused studies and deliver custom design and simulation services, providing precise, data driven solutions for experimental systems, component development, and performance optimization..

Get in touch

REDERO Trionics Pvt. Ltd.
17-1-382/v/1/29, Vyshalinagar,
Champapet, Hyderabad - 500079,
Telangana, India

  • +91 98256 00718
  • contact@trionicslabs.in
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