Coupled CFD and chemical-kinetics simulations of cellulosic-biomass enzymatic hydrolysis [electronic resource] : Mathematical-model development and validation

• Ngôn ngữ: eng
• Ký hiệu phân loại: 664.7 Grains, other seeds, their derived products
• Thông tin xuất bản: Washington, D.C. : Oak Ridge, Tenn. : United States. Dept. of Energy. Office of Energy Efficiency and Renewable Energy ; Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy, 2019
• Mô tả vật lý: Size: p. 348-360 : , digital, PDF file.
• Bộ sưu tập: Metadata
• ID: 262826
• Chủ đề: 1. 09 biomass fuels; 2. 37 inorganic, organic, physical, and analytical chemistry; 3. Computational fluid dynamics; 4. Enzymatic hydrolysis; 5. Physics sub-cycling

Tóm tắt

Computational simulations of cellulosic-biomass enzymatic hydrolysis using a computational-fluid-dynamics (CFD) model coupled to a chemical-kinetics model are presented in this work. A time-step sub-cycling strategy was used to circumvent large disparities in time scales with respect to transport physics and chemical kinetics. The unknown reaction and transport parameters in the mathematical model were first fit to two canonical experiments: a well-mixed case that was limited by reaction kinetics and a settled-solids case that was limited by transport. Here, the model was then validated against a benchtop experiment for an intermediate-mixing scenario, for which simulation results were in reasonable agreement with experimentally measured cellulose conversions. Settling of cellulose particles and diffusion of enzymes determine overall conversion rates for lower mixing rates, while reaction rates dominate conversion at higher mixing rates for which greater homogenization of substrates is achieved.