A research collaboration of national laboratories for the U.S. DOE Bioenergy Technologies Office
The Consortium for Computational Physics and Chemistry (CCPC) is a joint core research and development activity among five national laboratories that has been created to utilize unique DOE computational modeling facilities and experience in order to accelerate the discovery and deployment of novel materials in support of the Energy Materials Network and the Materials Genome Initiative. The CCPC also computationally bridges the chemical reactions occurring at the nanoscale to reactor- and plant-scale processes to enable critical experimental verifications in the BETO program and predict the effects of process scale-up on the techno-economic analysis of commercial scale operations.
Questions about the CCPC should be directed towards Jim Parks.
Mission: To utilize core computational capabilities across the US DOE national laboratory system to enable and accelerate the development of new materials and optimize process scale-up to advance the bioenergy economy.
Vision: The computational toolset developed by CCPC facilitates the modeling of biomass industrial technologies from atomic to process scales, thereby reducing the cost, time, and risk in commercializing bioenergy technologies.
We are focusing on technical barriers and questions associated with 3 major areas of bio-oil production via fast pyrolysis:
The CCPC team uses computational models of the rate and quality limiting reaction and transport kinetics in key process stages to identify and resolve major bottlenecks and uncertainties:
The modeling tools we employ make use of unique national lab experimental data and computational facilities that cover a broad range of scales from atomistic and moelcular chemistry to single particle and full reactor simulations. To maximize the relevance of our results to industry and evaluations of strategic options for bio- oil production, we are also creating low-order implementations of our models that can be used for rapid screening studies without requiring special computational facilities.
Labs in the CCPC work together to cover all aspects of the biomass to bioproduct conversion process:
Additional information regarding points of contact and R&D activities at each CCPC lab can be accessed by clicking on the appropriate links at the top of this website.
The CCPC utilizes input from a unique combination of industry advisors, core experimental projects, and academic partners to guide selection and priority of projects.
Computational models and functions developed by consortium members.
Surface Phase Explorer
Create interactive and downloadable surface phase diagrams from ab initio data.
The CCPC is an enabling project in the ChemCatBio consortium
ChemCatBio is part of DOE’s Energy Materials Network
U.S. DOE Bioenergy Technologies Office
Billion Ton Report
2016 Billion-Ton Report: Advancing Domestic Resources for a Thriving Bioeconomy
NREL Thermochemical Users Facility
Home to thermochemical reactors and pilot plants that CCPC models
PNNL Bioproduct, Sciences, and Engineering Laboratory
Home to upgrading reactors and pilot plants that CCPC models