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Consortium for Computational Physics and Chemistry

A research collaboration of national laboratories for the U.S. DOE Bioenergy Technologies Office

New: Bioenergy Technologies Office High Performance Computing on Summit available for national laboratory users (see user call).

Biomass conversion modeling

Biomass feedstocks exhibit complex, highly variable features that can dramatically impact the outcomes of conversion processes. These features, such as microstructure, composition, distributions of particle shapes and sizes, are largely dependent upon the species of origin (e.g., pine vs poplar wood) as well as processing history such as milling and storage.

We have developed state-of-the-art models for biomass feedstocks that manifest these critical material attributes. Feedstock characterization data are used to construct and parameterize representative models which are employed in simulations of conversion processes such as fast pyrolysis and enzymatic hydrolysis. We use a multiscale approach wherein particle-scale models, which are used to account for feedstock-specific effects, are integrated with reactor scale models which account for bulk reactor hydrodynamics. Our simulations are experimentally validated using a variety of reactor systems at the National Renewable Energy Laboratory. These capabilities are used to assist our industry partners select appropriate biomass feedstocks, design reactors, and optimize operating conditions.



The CCPC is an enabling project in the ChemCatBio consortium


ChemCatBio is part of DOE’s Energy Materials Network


Feedstock-Conversion Interface Consortium


Bioprocessing Separations Consortium

U.S. DOE Bioenergy Technologies Office

Billion Ton Report
2016 Billion-Ton Report: Advancing Domestic Resources for a Thriving Bioeconomy

NREL Thermal and Catalytic Process Development Unit
Home to thermochemical reactors and pilot plants that CCPC models

PNNL Bioproducts, Sciences, and Engineering Laboratory
Home to upgrading reactors and pilot plants that CCPC models

Open source code and tools

Computational models and functions developed by consortium members.

Surface Phase Explorer
Create interactive and downloadable surface phase diagrams from ab initio data.