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CR

CR® (Catalytic Reactor) is intended for simulation of fixed-bed catalytic reactors. It contains a set of pre-defined models of reactors. These are steady-state or transient pseudo-homogeneous and heterogeneous, one- and two- dimensional models.

CR allows user to optimize the performance of the industrial and bench-scale reactors. It also investigates heat waves and wrong-way behaviour of reactors. In addition to this it locates hot spots and examines concentration and temperature distributions inside the bed.

CR is based on up-to-date numerical methods and comprehensive mathematical models.

The important feature of CR is the capability to deal with multi-component gas or liquid flow as well as complex chemical reactions.

 Type of kinetic models:

CR allows the application of complex multi-stage kinetic models. The engineer should provide a single FORTRAN file for evaluation of chemical reactions and heat production rates. This code is created in the CR development environment. Additional programming is not required.

 Type of reactor's models:

The following list of mathematical models of fixed-bed catalytic reactors is available:

  • Pseudo-homogeneous one-dimensional steady-state model (regular and adaptive space grid)
  • Pseudo-homogeneous one-dimensional transient model accounting for wall thermal conductivity
  • Pseudo-homogeneous one-dimensional transient model (regular space grid)
  • Pseudo-homogeneous one-dimensional transient model (adaptive space grid)
  • Pseudo-homogeneous two-dimensional steady-state model (regular space grid)
  • Heterogeneous one-dimensional transient model (regular space grid)
  • Heterogeneous one-dimensional transient model (adaptive space grid)
  • Heterogeneous one-dimensional transient model, accounting for catalyst aging (regular space grid
  • Heterogeneous one-dimensional transient model, accounting for catalyst aging (adaptive space grid)

 Mathematical models are based on mass and energy balances. They are represented by partial differential equations. The models take into account pressure drop, mass and heat transfer between flow and catalyst bed, heat balance for coolants, axial and radial profiles of concentrations and temperatures.

 

Correlations:

Several well-known correlations are used for simulation of reactors. Among them there are correlations for evaluation of:

fluid density

friction factor

fluid viscosity

overall heat transfer coefficient

User has the option of substituting their own correlations in lieu of the default correlations.

Simulation:

In order to simulate a reactor, the user can specify different reactor models and their parameters. The user provides their own FORTRAN code for chemical and heat production rate evaluations.

 Results:

A list of responses depends on the problem. In a typical case such a list includes:

  • temperature of fluid and coolant
  • distribution of overall heat transfer coefficient
  • mass fractions of species
  • distribution of pressure
  • distribution of friction factor
  • distribution of superficial flow velocity
  • distribution of Reynolds number
  • distribution of fluid density
  • distribution of fluid viscosity
  • distribution of fluid mole mass

Note! The latest version of the program CR 2001.4.7 has been modified to provide full compatibility with MS Windows 7, 8

Download latest version of CR

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Cheminform St.Petersburg (CISP), Russian Federation


 

CR