Over the last 20 to 25 years theoretical chemistry (particularly theoretical chemical kinetics)
has played an increasingly important role in developing chemical kinetics models for …

Abstract Iso-Octane (2, 2, 4-trimethylpentane) is a primary reference fuel and an important
component of gasoline fuels. Moreover, it is a key component used in surrogates to study the …

As regulatory measures for improved fuel economy and decreased emissions are pushing
gasoline engine combustion technologies towards extreme conditions (ie, boosted and …

Validation is an essential procedure in the development of a predictive model in several
engineering fields. In addition, recent data analysis techniques and the increasing …

The development and design of future internal combustion engines requires fundamental
understanding and the capability to model the autoignition and pollutant formation behavior …

The auto-ignition quality of diesel fuels, quantified by their cetane number or derived cetane
number (DCN), is a critical design property to consider when producing and upgrading …

Fundamental experimental measurements of quantities such as ignition delay times, laminar
flame speeds, and species profiles (among others) serve important roles in understanding …

This paper focuses on the uncertainty sources in experimental techniques applied for
laminar flame speed measurements. The work was motivated due to the necessity to …

Elementary-reaction models for H2/O2 combustion were evaluated and optimized through a
collaborative workflow, establishing accuracy and characterizing uncertainties. Quantitative …

Abstract Model validation is the process of evaluating how well a computational model
represents reality. That is to say, does the model make predictions that adequately agree …