Additive-mediated interfacial engineering of H<sub>2</sub>SO<sub>4</sub>-catalyzed isobutane alkylation from molecular design to industrial process intensification.
basic_science · Level V
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- Record sourced from PubMed, PMID 41864991.
- Also identified by DOI 10.1038/s41467-026-70828-y.
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Abstract
Understanding and correlation of the multiscale interfacial mass transport behaviors mediated by the additive for liquid/liquid dispersion system is challenging. Here, we propose interfacial mass transfer flux through the quantitative coupling between microscopic interfacial parameters and mesoscopic droplet mass transfer model for H<sub>2</sub>SO<sub>4</sub>-catalyzed isobutane alkylation with emphasis on additive molecular design to industrial process intensification. Microscopic interfacial parameters are incorporated into CFD-PBM model to determine interfacial mass transfer flux of isobutane (N<sub>isobutane</sub>). Based on the ratio of N<sub>isobutane</sub> in the system with and without the additives, the interfacial enhancement factor E is proposed and validated as an indicator for optimal additive screening. Decoupled N<sub>isobutane</sub> from apparent kinetic model, mass transfer-free kinetic parameters of isobutane alkylation are determined, quantitatively confirming the reaction is mass transfer controlled. Additive-mediated process intensification reveals PPG400 additive increases alkylate capacity by 24.85% up to 99.83 kt/a from 79.96 kt/a in additive-free system.