Session: Green Chemistry & Engineering Poster Session

There has been a rapid increase in the consumption of fuels and chemicals around the globe, however, the majority of them still being synthesized from petroleum-based sources. Alternate routes can be utilized to produce a range of chemicals and value-added products by employing bio-based platform chemicals. Among the range of petroleum-based chemicals, exploring the production of trimellitic acid (TMLA) from bio-renewables pathways is an increased interest among researchers due to its utilize ability in numerous commercial applications. Recently Tuhin et al. (2020) has proposed a set of bio-based pathways for the production of TMLA via the Diels-Alder reaction of dienes (HMF, DMF, HMFA, FDCA, FDCA-ester) and dienophiles (propylene, acrolein, methyl acrylate, and acrylic acid) through density functional theory (DFT) simulations. The DFT study utilized FMO gap and (IP_Diene+ EA_Dienophile)/2 descriptors to validate the proposed pathways. However, no work has been done to assess the economic viability of a TMLA production process. In this regard, the present simulation work is an attempt to provide an overview of TMLA in the product portfolio of a biorefinery.

ASPEN plus V10 was used to simulate TMLA production from bio-based HMF input feed rate of 5 kmol/hr. Non-random two liquid Redlich-Kwong (NRTL-RK) activity coefficient model was utilized to evaluate (L-L) liquid-liquid and (L-V) liquid-vapour interactions in the process. In the proposed process, TMLA production takes place in two steps (Reactor 1 & Reactor 2). In reactor 1, hydrodeoxygenation of HMF produces DMF with 100% conversion and 50% selectivity. Further, in the presence of oxygen, the reactor 2 converts DMF and propenoic acid into TMLA. Water and heptane were used as solvents in step 1 and 2 respectively. The simulation results showed that more than 99% pure TMLA obtained at the exit stream of distillation column. To evaluate economic viability of the proposed TMLA bio-refinery, the ASPEN plus economic analyzer utilized for the assessment. The payback period, investor rate of return (IRR), and net present value (NPV) were chosen as validation criteria’s for the economic viability of the proposed TMLA production process. The economic analysis results suggest that TMLA at $10/kg can be produced through bio-based HMF.

Ejaz Ahmad

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