Multiscale Mathematics for Biomass Conversion to Renewable Hydrogen

Technical Report · Tue Mar 01 00:00:00 EST 2016

DOI:https://doi.org/10.2172/1325538· OSTI ID:1325538

Plechac, Petr ^[1]

---

1. Univ. of Delaware, Newark, DE (United States). Dept. of Mathematical Sciences

The overall objective of this project was to develop multiscale models for understanding and eventually designing complex processes for renewables. To the best of our knowledge, our work is the first attempt at modeling complex reacting systems, whose performance relies on underlying multiscale mathematics and developing rigorous mathematical techniques and computational algorithms to study such models. Our specific application lies at the heart of biofuels initiatives of DOE and entails modeling of catalytic systems, to enable economic, environmentally benign, and efficient conversion of biomass into either hydrogen or valuable chemicals.

• Research Organization: Univ. of Delaware, Newark, DE (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
• DOE Contract Number: SC0007046
• OSTI ID: 1325538
• Report Number(s): DOE-ASCR-UDEL-2014-1
• Country of Publication: United States
• Language: English

Related Subjects

97 MATHEMATICS AND COMPUTING
coarse-graining molecular systems
kinetic Monte Carlo
lattice extended systems
parallel algorithms
GPU computing
non-equilibrium steady states
parametrization of coarse-grained models
lattice models with chemistry
information-theoretic methods