Version 4.1 - Refinery Reactor Enhancements

Petro-SIM 4.1 continues our investment and attention to reactor modelling, delivering focussed technology enhancements and usablity updates.


Reactor Process Technology

We have revamped the ISOM-SIM reactor offering auto-calibration and tuning of key reactions and more robust temperature response predictions

  • Reactor is a new icon on palette offering alternative to existing model
  • Reactor is calibrated using Petro-SIM Calibration system in same way as other refinery reactors
  • It works with auto-generated reactor workbooks in Excel, allowing you to run calibrations and predictions

More report pages are available in the Pyrolysis Furnace (Olefin-SIM), making all the results from the furnace's text report available for you to see in grid form and to use in other Petro-SIM objects. The furnace also benefits from improvements to the extended component scheme described below to include di-olefins.

We have added a new Product Hydrogen Balance Option to adjust the hydrogen balance predicted in FCC-SIM based on the balance obtained during calibration. You will find this option as a new tuning factor in the Product Properties group on the Calibration tab.

4.1 also includes several technology improvements first released in service packs for versions 3.3 and 4.0:

  • Support for recycling stripped catalyst operations
  • Support for recycling C4s
  • Updated ZSM-5 response

We have improved the default coke on catalyst response for CCR reactors in REF-SIM, reducing the need to calibrate this response if data is inconsistent or unavailable

New options for cold property shifts across hydrotreater and hydrocracker reactors anchoring response to shift in feed property versus calibration

  • The option supports cloud point, pour point and freeze point properties and requires you to have feed measurements as well as product during calibration
  • You will need to recalibrate the reactor to use the new responses, selecting the following method

A Coker Furnace operation is now available for use with Delayed Coker simulations, allowing more detailed analysis of the Coker Furnace.

  • New icon on palette
  • Built on our established tube by tube furnace technology
  • Takes Furnace Feed stream estimated by the Coker reactor

In common with the Fired Heater unit operation, the Visbreaker, VGO Cracker and the new Coker Furnace operations all gain:

  • Coking kinetics to enable coke laydown prediction and tracking
  • New tuning factors for Coke and Tube Metal thermal conductivity
  • Enhanced reporting for vapor and liquid properties on a tube by tube basis, adding Density, Viscosity, Thermal Conductivity and Heat Capacity to both liquid and vapor phase reporting plus wt% vaporized.
  • New flux option that allows you to provide a flux profile
  • Support for heat losses through negative fluxes

There are a number of improvements to the extended component scheme introduced in version 4.0.

  • We have added isomer breakdowns for C5 to C8 Olefins, including di-olefins
  • We have revamped the extended component calibration factor calculations to include the new components and to allow you some control over the breakdown from bulk PONA to PONA group components (C6 Naphthenes, C7 Aromatics and so on). Factors are best calculated during calibration from the available measurements but you can also manually override them in the absence of data. You can use this mechanism to control benzene predictions from reactors that do not have their own independent predictions.
  • We have made it easier to track extended components in detail through Trace commands available on stream composition right-click menu

SIM Model/Excel Workbook Usability Improvements

Following the introduction of new auto-generated reactor workbooks in version 4, we have made enhancements to improve usability and functionality. We have also significantly reduced the time it takes to build and format these workbooks and now build a more flexible optimizer input page, removing the limitations on allowable units sets.

Improved chart options:

  • New Profiles chart function to plot multiple profiles (distillations, tube profiles and so on) on the same chart
  • Revised charts variable layout and zoom functionality
  • We have expanded the Historian data fetch options, allowing you to create multiple calibration cases with one command. Each case will hold data for a different date and time, controlled by the daily, weekly or monthly recurrence interval you set. You can also choose to have Petro-SIM validate each case as it is created, giving you a quick screening tool for finding the best quality data for calibration.
  • Use the Recent button for quick access to reactor, report or monitoring workbooks you have used recently.

As well as the Historian data fetch enhancements useful during calibration, we have:

  • Enhanced the calibration factor loading options, allowing you to export factors to any reactor of the same type in any Petro-SIM case through a new selection dialog
  • In line with Petro-SIM, the database Publish mechanism for calibration factors now allows you to mark new revisions as private, allowing you to test the factors in subscribing cases before you make them publicly available to other users in your organisation.
  • Improved usability by highlighting the required feed and product stream properties using the same convention as for reactor data itself - look for a green background in the Units of Measure column
  • Added a Run Data Rec check-box to the Calibration Input page. This instructs the case to run data reconciliation to close the mass and other balances you may have configured within your base case. See below for more details on other changes to data reconciliation itself.
  • Added options in Petro-SIM to allow you to work with yield measurements rather than direct flow measurements. This can be useful where you have your own material balancing tools that calculate net yields.

Data Reconciliation

All calibration cases automatically include a data reconciliation utility, which in version 4 was most often used to provide an overall raw mass balance check. We have upgraded the utility to improve its functionality and usability:

  • Component balances on light ends are now supported, giving you a mechanism to estimate often unmeasured components like the dissolved Ammonia and Hydrogen Sulfide in Hydrotreater and Hydrocracker sour water streams or the inerts carried over from regenerator air to the FCC effluent.
  • You have more freedom to add your own balances to the system, as well as being able to reconcile the heat balances needed for heat exchanger train monitoring
  • You will find clearer diagnostics with visual highlighting of measurements the solver has adjusted significantly outside their typical error