Reactor scale modelling of gas hydrate-based CO2 capture (HBCC) process

Hossein Dashti, Gerald Fraser, Amirpiran Amiri

Research output: Contribution to journalArticlepeer-review


During the last decade, the hydrate-based CO2 capture (HBCC) process has been approved as a promising alternative. The HBCC offers several attractive advantages such as the mild operating pressure and temperature, the ease of regeneration of CO2, and its low energy consumption. The HBCC is at its infancy stage where the numerical methods play a key role in its research and development. This is to support the experimental research in terms of the model-based experiment design and process analysis/optimisation. In this view, HBCC modelling and simulation have been focused by researchers worldwide. Most of the published models are restricted to the processes at the particle scale that are enormously beneficial for a fundamental understanding of the process science. Nevertheless, a challenging shortfall currently exists for reactor scale models given the process scale research, and development objectives require models at the relevant scale. Accordingly, the reactor level models that may be used in a comprehensive process are required. Ideally, a multi-scale model allows studying both science and technology. This paper presents an HBCC process model at the reactor level for batch and semi-batch operations. The scaled-up model is capable of simulating the CO2 dissolution, and growth phases. The model evaluates the hydrate layer boundary and estimates the total gas uptake in batch semi-batch reactors. A modified version of the model made it possible to account. The present study establishes a groundwork for the large-scale application of the HBCC.

Original languageEnglish
Pages (from-to)1073-1079
Number of pages7
JournalComputer Aided Chemical Engineering
Early online date18 Jul 2021
Publication statusPublished - Jul 2021


  • CO capture
  • Gas hydrates
  • kinetic model
  • reactor scale modelling


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