Novel methodology for the synthesis of optimal biochemicals in integrated biorefineries via inverse design techniques

Lik Yin Ng, Viknesh Andiappan, Nishanth G. Chemmangattuvalappil*, Denny K. S. Ng

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

20 Citations (Scopus)


The recent developments of process synthesis and design for integrated biorefineries have significantly increased the potential of biomass to generate sustainable renewable energy as an alternative source for fossil fuels. In addition, biomass can be converted into various value-added products (e.g., biochemicals, biomaterials, biosolvents, etc.). To ensure the sustainable production of energy and value-added products, biomass is converted into commodities and specialty products in an integrated biorefinery. However, due to the increase in the number of potential products, new reactions, and technologies, determining of optimum products and processing routes in an integrated biorefinery has become more challenging. Therefore, it is essential to develop a systematic approach to address the above-mentioned issues. In this work, a novel two-stage optimization approach has been developed to design optimal biochemical products and synthesize optimum biomass conversion pathways in an integrated biorefinery. In the presented approach, optimal biochemical products that meet the customer requirements are first determined via signature based molecular design techniques. In addition, optimum conversion pathways that convert biomass into the biochemical products which are identified in the previous step can be determined via a superstructural mathematical optimization approach. A case study of biobased fuel production from palm-based biomass is solved to illustrate the proposed approach.

Original languageEnglish
Pages (from-to)5722-5735
Number of pages14
JournalIndustrial and Engineering Chemistry Research
Issue number21
Publication statusPublished - 3 Jun 2015

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Industrial and Manufacturing Engineering


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