Browsing School of Chemistry by Author "http://dx.doi.org/10.13039/501100001602"
Now showing items 21-40 of 89
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A comprehensive experimental and kinetic modeling study of 1-and 2-pentene
Dong, Shijun; Zhang, Kuiwen; Ninnemann, Erik M.; Najjar, Ahmed; Kukkadapu, Goutham; Baker, Jessica; Arafin, Farhan; Wang, Zhandong; Pitz, William J.; Vasu, Subith S.; Sarathy, S. Mani; Senecal, Peter K.; Curran, Henry J. (Elsevier, 2020-10-15)1- and 2-pentene are components in gasoline and are also used as representative alkene components in gasoline surrogate fuels. Most of the available ignition delay time data in the literature for these fuels are limited ... -
A comprehensive experimental and kinetic modeling study of 1-hexene
Dong, Shijun; Aul, Christopher; Gregoire, Claire; Cooper, Sean P.; Mathieu, Olivier; Petersen, Eric L.; Rodriguez, Jose; Mauss, Fabian; Wagno, Scott W.; Kukkadapu, Goutham; Pitz, William J.; Curran, Henry J. (Elsevier, 2021-06-13)It is important to understand the low-temperature chemistry of 1-hexene as it is used as a representative alkene component in gasoline surrogate fuels. Ignition delay times (IDTs) of 1-hexene measured in rapid compression ... -
A comprehensive experimental and modeling study of the ignition delay time characteristics of ternary and quaternary blends of methane, ethane, ethylene, and propane over a wide range of temperature, pressure, equivalence ratio, and dilution
Martinez, Sergio; Baigmohammadi, Mohammadreza; Patel, Vaibhav; Panigrahy, Snehasish; Sahu, Amrit B.; Nagaraja, Shashank; Ramalingam, Ajoy; Heufer, Karl Alexander; Pekalski, Andrzej; Curran, Henry J. (Elsevier, 2021-08-09)The ignition delay time (IDT) characteristics of new ternary and quaternary blended C 1 ¿C 3 gaseous hy- drocarbons, including methane/ethane/ethylene and methane/ethane/ethylene/propane, are studied over a wide range of ... -
A comprehensive experimental and simulation study of ignition delay time characteristics of single fuel C1–C2 hydrocarbons over a wide range of temperatures, pressures, equivalence ratios, and dilutions
Baigmohammadi, Mohammadreza; Patel, Vaibhav; Martinez, Sergio; Panigrahy, Snehasish; Ramalingam, Ajoy; Burke, Ultan; Somers, Kieran P.; Heufer, Karl A.; Pekalski, Andrzej; Curran, Henry J. (American Chemical Society, 2020-02-03)A comprehensive experimental and modeling study of the ignition delay time (IDT) characteristics of some single prominent C1–C2 hydrocarbons including methane, ethane, and ethylene has been performed over a wide range of ... -
Comprehensive experimental and simulation study of the ignition delay time characteristics of binary blended methane, ethane, and ethylene over a wide range of temperature, pressure, equivalence ratio, and dilution
Baigmohammadi, Mohammadreza; Patel, Vaibhav; Nagaraja, Shashank; Ramalingam, Ajoy; Martinez, Sergio; Panigrahy, Snehasish; Mohamed, Ahmed Abd El-Sabor; Somers, Kieran P.; Burke, Ultan; Heufer, Karl A.; Pekalski, Andrzej; Curran, Henry J. (American Chemical Society, 2020-06-03)A comprehensive experimental and kinetic modeling study of the ignition delay time (IDT) characteristics of some binary blends of C1–C2 gaseous hydrocarbons such as methane/ethylene, methane/ethane, and ethane/ethylene was ... -
A comprehensive spectroscopic study of the polymorphs of diflunisal and their phase transformations
Pallipurath, Anuradha R.; Civati, Francesco; Sibik, Juraj; Crowley, Clare; Zeitler, J. Axel; McArdle, Patrick; Erxleben, Andrea (Elsevier, 2017-06-08)Understanding phase transitions in pharmaceutical materials is of vital importance for drug manufacturing, processing and storage. In this paper we have carried out comprehensive high-resolution spectroscopic studies on ... -
Conversion of gel-forming crystal needles to easily processable more equant crystals Using high-shear ultralow attrition agitation: accelerated Ostwald ripening without crystal attrition
Civati, Francesco; Erxleben, Andrea; Kellehan, Seamus; McArdle, Patrick (American Chemical Society, 2019-02-01)We demonstrate the first examples of the transformation of gel-forming crystal needles into easily processable more equant crystals by accelerated Ostwald ripening without detectable crystal attrition. Using high solution ... -
Cost-effective wireless microcontroller for internet connectivity of open-source chemical devices
Mercer, Conan; Leech, Dónal (American Chemical Society, 2018-06-04)This paper presents a system for remote monitoring of turbidity data that can detect light intensity and temperature using a microcontroller and the Internet of Things. The system comprises a light dependent resistor and ... -
Crystallization of organic salts from the gas phase: When does proton transfer take place?
O’Malley, Ciarán; Erxleben, Andrea; McArdle, Patrick; Simmie, John M. (American Chemical Society, 2020-12-13)Salt formation with proton transfer is observed in crystals grown by cosublimation of the salt coformers. Diflunisal salts were obtained with 4-[3-(pyridin-4-yl)propyl]pyridine, piperazine, and 4-dimethylaminopyridine. ... -
Design of experiments approach to provide enhanced glucose-oxidising enzyme electrode for membrane-less enzymatic fuel cells operating in human physiological fluids
Bennett, Richard; Osadebe, Isioma; Kumar, Rakesh; Ó Conghaile, Peter; Leech, Dónal (Wiley, 2018-03-30)Graphite electrodes are modified with a redox polymer, [Os(4,4-dimethoxy-2,2-bipyridine)(2)(polyvinylimidazole)(10)Cl](+) (E degrees=-0.02V vs Ag/AgCl (3M KCl), crosslinked with a flavin adenine dinucleotide glucose ... -
A detailed chemical kinetic modeling and experimental investigation of the low- and high-temperature chemistry of n-butylcyclohexane
Pitz, William J.; Liang, Jinhu; Kukkadapu, Goutham; Zhang, Kuiwen; Conroy, Christine; Bugler, John; Curran, Henry J. (Wiley, 2020-11-26)Chemical kinetic models of gasoline, jet, and diesel fuels and their mixtures with bioderived fuels are needed to assess fuel property effects on efficiency, emissions, and other performance metrics in internal combustion ... -
Development of a rapid Polarized Total Synchronous Fluorescence Spectroscopy (pTSFS) method for protein quantification in a model bioreactor broth
Boateng, Bernard O.; Elcoroaristizabal, Saioa; Ryder, Alan G. (Wiley, 2021-01-27)Protein quantification during bioprocess monitoring is essential for biopharmaceutical manufacturing and is complicated by the complex chemical composition of the bioreactor broth. Here we present the early-stage development ... -
Development of Mcl-1 inhibitors for cancer therapy
Negi, Arvind; Murphy, Paul V. (Elsevier, 2020-11-24)The myeloid leukemia cell differentiation protein (Mcl-1) is an anti-apoptotic protein of the B-cell lymphoma 2 (Bcl-2) family, which regulates cellular apoptosis. Mcl-1 expression plays a key role in survival of cancer ... -
Development of multipurpose skeletal core combustion chemical kinetic mechanisms
Wang, Quan-De; Panigrahy, Snehasish; Yang, Shiyou; Martinez, Sergio; Liang, Jinhu; Curran, Henry J. (American Chemical Society, 2021-03-25)Core combustion kinetic mechanisms for small C0¿C4 fuel molecules are not only of the utmost importance in understanding their individual combustion properties but are also the foundation for the development of kinetic ... -
Evaluating the interaction of human serum albumin (HSA) and 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) liposomes in different aqueous environments using anisotropy resolved multi-dimensional emission spectroscopy (ARMES)
Gordon, Fiona; Casamayou-Boucau, Yannick; Ryder, Alan G. (Elsevier, 2022-01-07)Studying the interaction between plasma proteins and liposomes is critical, particularly for their use as drug delivery systems. Here, the efficacy of anisotropy resolved multidimensional emission spectroscopy (ARMES) for ... -
Evaluation of non-ideal piston stopping effects on the “adiabatic core” and ignition delay time simulation in rapid compression machines
Wu, Yingtao; Tang, Chenglong; Yang, Meng; Wang, Quan-de; Huang, Zuohua; Zhao, Peng; Curran, Henry J. (Elsevier, 2020-05-30)Piston creep and rebound are two non-ideal piston stopping behaviors in the rapid compression machine. Compared to nominal piston stopping, piston rebound/creep will result in a smaller/bigger 'adiabatic' core zone volume ... -
An excitation emission fluorescence lifetime spectrometer using a frequency doubled supercontinuum laser source
Melnikau, Dzmitry; Elcoroaristizabal, Saioa; Ryder, Alan G. (IOP Publishing, 2018-09-03)The accurate fluorescence analysis of complex, multi-fluorophore containing proteins requires the use of multi-dimensional measurement techniques. For the measurement of intrinsic fluorescence from tyrosine (Tyr) and ... -
An experimental and chemical kinetic modeling study of 1,3-butadiene combustion: Ignition delay time and laminar flame speed measurements
Zhou, Chong-Wen; Li, Yang; Burke, Ultan; Banyon, Colin; Somers, Kieran P.; Ding, Shuiting; Khan, Saadat; Hargis, Joshua W.; Sikes, Travis; Mathieu, Olivier; Petersen, Eric L.; AlAbbad, Mohammed; Farooq, Aamir; Pan, Youshun; Zhang, Yingjia; Huang, Zuohua; Lopez, Joseph; Loparo, Zachary; Vasu, Subith S.; Curran, Henry J. (Elsevier, 2018-09-10)Ignition delay times for 1,3-butadiene oxidation were measured in five different shock tubes and in a rapid compression machine (RCM) at thermodynamic conditions relevant to practical combustors. The ignition delay times ... -
An experimental and detailed kinetic modeling study of the pyrolysis and oxidation of allene and propyne over a wide range of conditions
Panigrahy, Snehasish; Liang, Jinhu; Kumer Ghosh, Manik; Wang, Quan-De; Zuo, Zhaohong; Nagaraja, Shashank; El-SaborMohamed, A. Abd; Kim, Gihun; Vasu, Subith S.; Curran, Henry J. (Elsevier, 2021-07-27)Allene and propyne are important intermediates in the pyrolysis and oxidation of higher hydrocarbon fuels, and they are also a major source of propargyl radical formation, which can recombine into different C 6 H 6 isomers ... -
Experimental and kinetic modeling study of 3-Methyl-2-butenol (Prenol) oxidation
Lokachari, Nitin; Wagnon, Scott W.; Kukkadapu, Goutham; Pitz, William J.; Curran, Henry J. (American Chemical Society, 2021-08-19)Longer chain alcohols with 4–5 carbon atoms are attractive alternative fuels as they can be derived from biological sources and since their combustion leads to lower exhaust gas levels of NOx and soot compared to commercial ...