Uncertainty Quantification in Chemical Systems with Reaction Mechanisms Employing Rate Rules

A team of researchers—Jens Prager, formerly at the CRF and presently at the engineering simulation software firm CD-adapco; Habib Najm and Khachik Sargsyan of the CRF; Cosmin Safta of Sandia’s Computer Sciences and Information Systems center; and William Pitz of Lawrence Livermore National Laboratory—have studied the impact of uncertainty of reaction-rate constants in chemical ignition…

Sandia Hosts Visitors from Japanese Automotive Industry

On Nov. 7 and 8, Sandia hosted visiting fuel cell electric vehicle engineers from the Japanese automotive industry. On the first day of the visit, engineers from the Nissan Technical Center North America learned more about Sandia’s work in fueling research and the Center for Infrastructure Research and Integration (CIRI). Sandia is forming industrial partnerships…

New Methods Allow Prediction of Pressure Dependence in Chemical Reactions

Seeking to free researchers from a nearly exclusive dependence on empirical models, CRF researcher Ahren Jasper and Argonne National Laboratory researchers James A. Miller and Stephen J. Klippenstein have developed a set of theoretical methods for predicting the rates of collisional energy transfer that govern pressure dependence.1 Enabled by both the increased availability of high-performance…