Influence of functional groups on low-temperature combustion chemistry of biofuels

B Rotavera, CA Taatjes - Progress in Energy and Combustion Science, 2021 - Elsevier
Ongoing progress in synthetic biology, metabolic engineering, and catalysis continues to
produce a diverse array of advanced biofuels with complex molecular structure and …

OpenSMOKE++: An object-oriented framework for the numerical modeling of reactive systems with detailed kinetic mechanisms

A Cuoci, A Frassoldati, T Faravelli, E Ranzi - Computer Physics …, 2015 - Elsevier
OpenSMOKE++ is a general framework for numerical simulations of reacting systems with
detailed kinetic mechanisms, including thousands of chemical species and reactions. The …

A new detailed kinetic model for surrogate fuels: C3MechV3. 3

S Dong, SW Wagnon, LP Maffei, G Kukkadapu… - Applications in Energy …, 2022 - Elsevier
There is an increasing demand for kinetic models of surrogate components to predict the
combustion and emissions of real fuels. In this paper, a new surrogate fuel mechanism …

Enabling new flexibility in the SUNDIALS suite of nonlinear and differential/algebraic equation solvers

DJ Gardner, DR Reynolds, CS Woodward… - ACM Transactions on …, 2022 - dl.acm.org
In recent years, the SUite of Nonlinear and DIfferential/ALgebraic equation Solvers
(SUNDIALS) has been redesigned to better enable the use of application-specific and third …

Ab initio computations and active thermochemical tables hand in hand: Heats of formation of core combustion species

SJ Klippenstein, LB Harding… - The Journal of Physical …, 2017 - ACS Publications
The fidelity of combustion simulations is strongly dependent on the accuracy of the
underlying thermochemical properties for the core combustion species that arise as …

Diesel surrogate fuels for engine testing and chemical-kinetic modeling: Compositions and properties

CJ Mueller, WJ Cannella, JT Bays, TJ Bruno… - Energy & …, 2016 - ACS Publications
The primary objectives of this work were to formulate, blend, and characterize a set of four
ultralow-sulfur diesel surrogate fuels in quantities sufficient to enable their study in single …

Autoignition and preliminary heat release of gasoline surrogates and their blends with ethanol at engine-relevant conditions: Experiments and comprehensive kinetic …

S Cheng, C Saggese, D Kang, SS Goldsborough… - Combustion and …, 2021 - Elsevier
This work utilizes a rapid compression machine (RCM) to experimentally quantify
autoignition and preliminary heat release characteristics for blends of 0 to 30% ethanol by …

Systematic analysis strategies for the development of combustion models from DNS: A review

P Trisjono, H Pitsch - Flow, Turbulence and Combustion, 2015 - Springer
Direct numerical simulation (DNS) of turbulent combustion is a research area becoming ever
more important and has been established as a powerful tool in combustion science to …

Effect of nitric oxide and exhaust gases on gasoline surrogate autoignition: iso-octane experiments and modeling

R Fang, C Saggese, SW Wagnon, AB Sahu… - Combustion and …, 2022 - Elsevier
Exhaust gas recirculation (EGR) is widely used in advanced internal combustion engines to
reduce engine emissions as well as control combustion phasing. Among various species …

The reduced effectiveness of EGR to mitigate knock at high loads in boosted SI engines

JP Szybist, SW Wagnon, D Splitter, WJ Pitz… - SAE International Journal …, 2017 - JSTOR
Numerous studies have demonstrated that exhaust gas recirculation (EGR) can attenuate
knock propensity in spark ignition (SI) engines at naturally aspirated or lightly boosted …