Materials Processing

Leading companies use Reaction Design software in the development of more efficient, higher quality manufacturing processes.

Model Chemical Vapor Deposition

Many different processes related to materials fabrication and modification require careful attention to gas-phase and heterogeneous gas-surface reactions. Fabrication of microelectronics components, for example, relies on a series of chemical processing steps that deposit and etch materials in the construction of nano-scale devices. Chemical vapor deposition (CVD) is a commonly used method for processing materials for microelectronics uses and can be simulated using CHEMKIN-PRO. Many of the CHEMKIN-PRO reactor models are designed to provide realistic representations of materials-processing reactors, including details of gas-to-surface reactions.  Accurate simulations of the process can be used to optimize yield, throughput and product quality.

CHEMKIN-PRO includes capabilities for:

  • Equilibrium analysis for CVD.
  • Steady-state or transient analysis of thermal CVD.
  • Modeling of cylindrical flow in CVD.
  • Modeling of rotating disc or stagnation flow in CVD.

Solution Briefs:

Optimizing Chemical Vapor Deposition with CHEMKIN-PRO

Glass Coating Chemical Vapor Deposition with CHEMKIN-PRO

Simulate Atomic Layer Deposition

Atomic Layer Deposition (ALD) is used to deposit thin layers of solid materials in a very controlled manner, by exposing the deposition surface to pulses of alternating gases. CHEMKIN-PRO offers models for optimizing the pulse sequences of ALD and considers the effects of finite-rate kinetics for surface reactions. ALD simulations can save time and money and provide a greater understanding of the processes involved.

CHEMKIN-PRO allows the developer to:

  • Investigate the impact of chemical pulse-width, composition, or duration on the system using a transient Perfectly Stirred Reactor approximation.
  • Realistically simulate a production-scale reactor that includes a shower-head inlet to provide uniform flow above the wafer surface, including transport effects, using a Transient Stagnation Flow or Rotating Disk Reactor.

Solution Brief:

Atomic Layer Deposition Materials Processing for Electronics with CHEMKIN-PRO

Understand Flame Synthesis

A number of chemical processes use flame synthesis to create particles or coatings (such as carbon black or titanium oxide. CHEMKIN-PRO’s flame reactors are used to simulate particle formation and oxidation from flame synthesis including particle-particle effects such as agglomeration.  CHEMKIN-PRO has two different particulate tracking models that provide mean particle size or size distribution information.

CHEMKIN-PRO enables:

  • Investigating the formation of particulate matter from flame synthesis to determine the impacts of operating conditions, feedstock composition and product quality.
  • Average particle size and number density results for flame synthesis using the Method-of-Moments model.
  • Conducting automated parameter studies to aid process improvements particle size uniformity with the Sectional particle tracking method.

Model Plasma Etching

As miniaturization and environmental factors play greater roles as business drivers, plasma etching can be an attractive alternative to wet cleaning and etching. CHEMKIN‑PRO includes well-mixed and plug-flow reactor models that are appropriate for simulating low-pressure, non-equilibrium plasmas that are typical of those used in microelectronics materials processing. The plasma models track different temperatures representing the neutral gas and the electrons.


  • Specification of the power deposited into the plasma.
  • Determination of the electron number density, including effects of the plasma sheath at reactor boundaries.
  • The use of detailed kinetics for the plasma, including electron-impact reactions, ion-wall impingement, ion-neutral reactions, and neutral chemistry.

Solution Brief:

Chlorine Plasma Modeling with CHEMKIN-PRO