Group Contribution Based Process Flowsheet Synthesis, Design and Modelling

Loïc d'Anterroches, Rafiqul Gani

Research output: Contribution to journalConference articleResearchpeer-review


In a group contribution method for pure component property prediction, a molecule is described as a set of groups linked together to form a molecular structure. In the same way, for flowsheet "property" prediction, a flowsheet can be described as a set of process-groups linked together to represent the flowsheet structure. Just as a functional group is a collection of atoms, a process-group is a collection of operations forming an "unit" operation or a set of "unit" operations. The link between the process-groups are the streams similar to the bonds that are attachments to atoms/groups. Each process-group provides a contribution to the "property" of the flowsheet, which can be performance in terms of energy consumption, thereby allowing a flowsheet "property" to be calculated, once it is described by the groups. Another feature of this approach is that the process-group attachments provide automatically the flowsheet stream properties, which serves as very good initial estimates for convergence of mass/energy balance calculations. (c) 2004 Elsevier B.V. All rights reserved.
Original languageEnglish
JournalFluid Phase Equilibria
Issue numberSI
Pages (from-to)141-146
Publication statusPublished - 2005
Event10th International Conference on Propertiies and Phase Equilibria for Product and Process Design - Snowbird, UT, United States
Duration: 16 May 200421 May 2004
Conference number: 10


Conference10th International Conference on Propertiies and Phase Equilibria for Product and Process Design
CountryUnited States
City Snowbird, UT


  • model
  • method of calculation
  • property prediction
  • reverse formulation
  • process synthesis
  • flowsheet modeling
  • group contributions

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