Chemical Production

Reaction Design software helps identify improvements in efficiency and quality of chemical production systems.

Accurately Predict Emissions

ENERGICO allows the application of accurate chemical reaction mechanisms to industrial chemical processes for emissions predictions of NO, CO, UHC and soot. Chemical process engineers use ENERGICO to construct reactor networks from CFD solutions that are equivalent representations of the flows inside chemical plant components.

ENERGICO enables:

  • Modeling of emissions behavior as a function of changes in feedstock or fuel composition and operating conditions.

Chemical production engineers can take advantage of CHEMKIN-PRO’s ability to perform rapid parameter studies to model trends of the effects of process design variables on pollutant emissions such as NOx, CO and Unburned Hydrocarbons (UHC). The trends identified through the use of CHEMKIN-PRO simulations help guide conceptual design and answer key questions that arise during the chemical process design or retrofit process. 

Using CHEMKIN-PRO, designers can:

  • Quickly construct reactor networks consisting of a blend of Perfectly Stirred Reactors and Plug Flow Reactors using a simple drag-and-drop user interface.
  • Simulate the formation of soot using models that calculate the average soot particle size and number density and that provide information on the particle size distribution.

Solution Briefs:

Predicting Emissions from Chemical Production Operations with CHEMKIN-PRO

Predicting Emissions from Chemical Processing with ENERGICO

Model Hydrocracking Process

The groundwork for optimizing hydrocracking can be carried out with reduced-order simulations, to assess the chemistry and to obtain performance trends for optimizing the process for improved product quality, efficiency, throughput, etc. Chemical process engineers use CHEMKIN-PRO’s Honeycomb Monolith Reactor to model the flow in the catalyst bed of hydrocracking reactors.

CHEMKIN-PRO enables:

  • Gas-phase reaction simulations of reversible elementary reactions of n-heptane applicable for pyrolysis as well as combustion.
  • Simulation of surface-chemistry reactions associated with n-heptane cracking on acidic sites of silica-alumina and the hydrogenation of unsaturated hydrocarbons on metallic sites of platinum.

Solution Brief:

Hydrocracking for Petroleum Processing with CHEMKIN PRO

Model Fuel Efficiency

Computational Fluid Dynamics (CFD) is increasingly used as a primary design tool for chemical process plant design. Chemical process engineers use ENERGICO to add accurate chemistry to their simulations by building reactor networks from CFD solutions. Using reactor networks yields a more accurate simulation of the flow field and the chemical reactions that are occurring in the process without compromising Time-to-Solution.

ENERGICO enables:

  • Investigation of the impacts of changing feedstock composition or operating parameters on system efficiency.

Chemical production plant designers are continually under pressure to reduce feedstock consumption, improve efficiency and improve product quality. Engineers use CHEMKIN-PRO’s reduced-order models to perform scoping studies, set up virtual Design of Experiments (DoE) and parameter sweep studies to support conceptual design. 

CHEMKIN-PRO enables the study of:

  • The impact of reactor design changes on fuel consumption and emissions.
  • The impact of feedstock composition on chemical processes.
  • The impacts of reactor design conditions on processing efficiency.

Solution Briefs:

Predicting Efficiency from Chemical Production Operations with CHEMKIN-PRO

Predicting Combustion Efficiency from Chemical Process Burners with ENERGICO

Investigate Aftertreatment Solutions

The design of a chemical plant’s aftertreatment systems requires more focus as emission requirements for pollutants and greenhouse gases become increasingly stringent. Chemical plant engineers use CHEMKIN-PRO’s catalytic reactors to investigate the emissions reduction capabilities of specific catalytic processes and the impacts of design changes on plant components. 

Using CHEMKIN-PRO, designers can:

  • Use a Honeycomb Monolith Reactor model to approximate a catalytic converter that is designed to reduce NOx, CO, and unburned hydrocarbons (UHCs) emission through catalytic surface reactions.

Solution Brief:

Aftertreatment in Chemical Production Heaters with CHEMKIN-PRO