Take control of your packed bed reactor design with DETCHEM PBR
Introducing DETCHEM PBR, a fixed bed reactor simulator that swiftly solves complex steadystate design equations, often within seconds. Utilizing cuttingedge heat transfer correlations along with accurate thermophysical properties, DETCHEM PBR can often achieve the same results with lightningfast 1D models as those obtained by more time consuming and computationally slower 2D and 3D simulations.
Stop waiting for results: Faster simulations unlock creativity by allowing for rapid iteration of design concepts.
Internal pore diffusion
Discover the secret lives of your catalysts.
Catalysts are often porous materials with massive internal surface area. Internal passageways are generally nanoscale, sometimes resulting in pore diffusion resistances that can increase the local residence time. Selectivity can deteriorate as side products form. DETCHEM PBR can optionally model the reaction diffusion equation at every axial node, with a variety of userselectable diffusion models.
Don't operate blindly. Model what happens inside your catalytic beds, and use these insights to design your reactor and troubleshoot your system.
High accuracy
Skip CFD.
Accurate packed bed heat transfer builtin.
In many situations, a 1D packed bed simulation can accurately predict performance results, including when there are nonisothermal radial temperature gradients. Using builtin heat transfer correlations, DETCHEM PBR closely matches 2D porous media CFD and 3D Particle Resolved CFD (PRCFD) results for the Dry Reforming of Methane.
DETCHEM PBR is a fraction of the cost, without the complexity and hassle of CFD.
Fast simulations
Stop waiting for results. Design faster.
With DETCHEM PBR simulations typically take just seconds, usually 10X to 100X times faster than CFD. The Dry Reforming example above required 42 minutes with 400 cores for 3D Particle Resolved CFD, 5 minutes with one core for porous media 2D CFD, and just 10 seconds for DETCHEM PBR on one core.
Fast simulations allow engineers to be more creative. Test more conditions and optimize your design faster with DETCHEM PBR.
Kinetics models
Detailed microkinetics or customized rate expressions. Your choice.
DETCHEM PBR supports gas phase and surface reaction models  including and surface phase reactions enabled simultaneously.
Microkinetics models are simple to incorporate. Choose from many published microkinetics models available online at detchem.com, or create your own detailed model.
Alternatively, write custom kinetics expressions with the easytouse User Defined Function (UDF) feature. The UDF structure is intuitive and makes it easy to program complicated rate expressions in a freeform manner  no compilation required.
# Calculate the denominator term
H2OFactor = Ph2o/Ph2
QSMR = 1 + Kco*Pco + Kh2*Ph2 + Kch4*Pch4 + Kh2o*H2OFactor
QSMRsq = QSMR * QSMR
# Rate 1 numerator
term1a = krate1 / Ph2^2.5
term1b = Pch4*Ph2o  ((Ph2^3)*Pco/Ke1)
# Rate 2 numerator
term2a = krate2 / Ph2
term2b = (Pco * Ph2o)  ((Ph2 * Pco2) / Ke2)
# Rate 3 numerator
term3a = krate3/Ph2^3.5
term3b = (Pch4*Ph2o^2)  ((Ph2^4)*Pco2/Ke3)
# Catalyst density, kg/m3
rhoCat = 762
# Rate expressions
r1 = rhoCat * term1a * term1b / QSMRsq
r2 = rhoCat * term2a * term2b / QSMRsq
r3 = rhoCat * term3a * term3b / QSMRsq
<UDFReaction>
CH4 + H2O > CO + 3 H2
variable="r1"
</UDFReaction>
<UDFReaction>
CO + H2O > CO2 + H2
variable="r2"
</UDFReaction>
<UDFReaction>
CH4 + 2 H2O > CO2 + 4 H2
variable="r3"
</UDFReaction>
Key Features
DETCHEM PBR is a fullfeatured solver for steady state packed bed and empty tube reactors, with many features builtin.
Simulation capabilities

High performance
Very fast compared to 2D or 3D CFD.

High accuracy
Builtin correlations calculate the overall heat transfer coefficient for packed beds and empty tubes.

Multi platform support
Run DETCHEM PBR on the platform of your choice  Windows, Linux or macOS.
Advanced physics

Internal pellet resistance
Discover the secret lives of your catalysts. Model internal diffusion resistances with either the 1D reaction diffusion equation or the effectiveness factor model.

Gas phase and surface reactions
Take homogeneous and heterogeneous reactions into account in your calculations  either simultaneously or separately.

Thermodynamic and Transport properties
Calculate transport properties from kinetic theory of gases, and thermodynamic properties from NASA style polynomials.
Versatile configuration

Freedom of Kinetics expressions
Microkinetics? Complicated custom rate expression? No problem.

Custom units and dimensions
Enter your input values in the (physical) units you work with  no need to convert to SI units.

Multiple axial reactor sections
Divide your reactor into multiple sections, each with its own set of properties and conditions.
Pricing
DETCHEM PBR licenses are available exclusively as subscriptions, ensuring you have continuous access to product improvements and bug fixes. Experience the benefits of DETCHEM PBR without any longterm commitment, now available for a special limitedtime reduced price.
1950 €
Make the most of this special offer with our annual subscription. Commit to a year of reactor design excellence and benefit from reduced pricing.
 Free 14day trial included
 Early access to GUI in 2024
 2 host machines (no node lock)