Numerical Analysis of CO2-to-DME Conversion in a Membrane Microchannel Reactor

Koybasi H. H., AVCI A. K.

Industrial and Engineering Chemistry Research, cilt.61, sa.30, ss.10846-10859, 2022 (SCI-Expanded, Scopus)

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 61 Sayı: 30
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1021/acs.iecr.2c01764
  • Dergi Adı: Industrial and Engineering Chemistry Research
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Applied Science & Technology Source, Aqualine, Chemical Abstracts Core, Chimica, Compendex, Computer & Applied Sciences, zbMATH, DIALNET
  • Sayfa Sayıları: ss.10846-10859
  • Boğaziçi Üniversitesi Adresli: Evet

Özet

Direct DME synthesis via CO2hydrogenation in a membrane-integrated microchannel reactor is modeled. The proposed reactor comprises rectangular permeate and reaction channels separated by layers of sodalite membranes, permitting only H2O and H2transport. Reaction channels, dosed with CO2and H2, are washcoated with a physical mixture of methanol synthesis (Cu-ZnO/Al2O3(CZA)) and dehydration (HZSM-5) catalysts. Pure H2-fed permeate channels host the steam transported from reaction channels. The mathematical model of the isothermal, steady-state reactor involves conservation equations in catalyst and fluid phases, catalytic reactions, and membrane separation. The model is successfully benchmarked against literature-based experimental data. Differences between isothermal and non-isothermal models remain negligible. At 543 K, 50 bar, and H2/CO2= 3, cross-membrane H2O and H2transport increases membraneless CO2conversion and DME yield values by more than 2-fold, i.e., up to ∼73 and ∼35%, respectively. Counter-current flow configuration offers more H2O separation than the co-current one. The sweep-to-reactive stream inlet velocity ratio affects cross-membrane mass transfer significantly. Reactor performance is positively correlated with the CZA/HZSM-5 mass ratio. A ∼7 m3-sized reactor can transform ∼1 × 103tons/year of CO2into 2.76 × 102tons/year of DME.