Inelastic and Reactive Scattering Dynamics of Hyperthermal Oxygen Atoms on Ionic Liquid Surfaces: [emim][NTf2] and [C(12)mim][NTf2]

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Standard

Inelastic and Reactive Scattering Dynamics of Hyperthermal Oxygen Atoms on Ionic Liquid Surfaces : [emim][NTf2] and [C(12)mim][NTf2]. / Wu, Bohan; Zhang, Jianming; Minton, Timothy K.; McKendrick, Kenneth G.; Slattery, John M.; Yockel, Scott; Schatz, George C.

27TH INTERNATIONAL SYMPOSIUM ON RAREFIED GAS DYNAMICS, 2010, PTS ONE AND TWO. ed. / DA Levin; IJ Wysong; AL Garcia. Vol. 1333 PART 1. ed. MELVILLE : AMER INST PHYSICS, 2011. p. 516-521.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Harvard

Wu, B, Zhang, J, Minton, TK, McKendrick, KG, Slattery, JM, Yockel, S & Schatz, GC 2011, Inelastic and Reactive Scattering Dynamics of Hyperthermal Oxygen Atoms on Ionic Liquid Surfaces: [emim][NTf2] and [C(12)mim][NTf2]. in DA Levin, IJ Wysong & AL Garcia (eds), 27TH INTERNATIONAL SYMPOSIUM ON RAREFIED GAS DYNAMICS, 2010, PTS ONE AND TWO. PART 1 edn, vol. 1333, AMER INST PHYSICS, MELVILLE, pp. 516-521, 27th International Symposium on Rarefied Gas Dynamics, Pacific Grove, 10/07/10. https://doi.org/10.1063/1.3562700

APA

Wu, B., Zhang, J., Minton, T. K., McKendrick, K. G., Slattery, J. M., Yockel, S., & Schatz, G. C. (2011). Inelastic and Reactive Scattering Dynamics of Hyperthermal Oxygen Atoms on Ionic Liquid Surfaces: [emim][NTf2] and [C(12)mim][NTf2]. In DA. Levin, IJ. Wysong, & AL. Garcia (Eds.), 27TH INTERNATIONAL SYMPOSIUM ON RAREFIED GAS DYNAMICS, 2010, PTS ONE AND TWO (PART 1 ed., Vol. 1333, pp. 516-521). MELVILLE: AMER INST PHYSICS. https://doi.org/10.1063/1.3562700

Vancouver

Wu B, Zhang J, Minton TK, McKendrick KG, Slattery JM, Yockel S et al. Inelastic and Reactive Scattering Dynamics of Hyperthermal Oxygen Atoms on Ionic Liquid Surfaces: [emim][NTf2] and [C(12)mim][NTf2]. In Levin DA, Wysong IJ, Garcia AL, editors, 27TH INTERNATIONAL SYMPOSIUM ON RAREFIED GAS DYNAMICS, 2010, PTS ONE AND TWO. PART 1 ed. Vol. 1333. MELVILLE: AMER INST PHYSICS. 2011. p. 516-521 https://doi.org/10.1063/1.3562700

Author

Wu, Bohan ; Zhang, Jianming ; Minton, Timothy K. ; McKendrick, Kenneth G. ; Slattery, John M. ; Yockel, Scott ; Schatz, George C. / Inelastic and Reactive Scattering Dynamics of Hyperthermal Oxygen Atoms on Ionic Liquid Surfaces : [emim][NTf2] and [C(12)mim][NTf2]. 27TH INTERNATIONAL SYMPOSIUM ON RAREFIED GAS DYNAMICS, 2010, PTS ONE AND TWO. editor / DA Levin ; IJ Wysong ; AL Garcia. Vol. 1333 PART 1. ed. MELVILLE : AMER INST PHYSICS, 2011. pp. 516-521

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@inproceedings{20bc88a8b8c34d56a9fd6fc1d550e4d5,
title = "Inelastic and Reactive Scattering Dynamics of Hyperthermal Oxygen Atoms on Ionic Liquid Surfaces: [emim][NTf2] and [C(12)mim][NTf2]",
abstract = "Collisions of hyperthermal oxygen atoms, with an average translational energy of 520 kJ mol(-1), on continuously refreshed ionic liquids, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([emim][NTf2]) and 1-dodecyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([C(12)mim][NTf2]), were studied with the use of a beam-surface scattering technique. Time-of-flight and angular distributions of inelastically scattered O and reactively scattered OH and H2O were collected for various angles of incidence with the use of a rotatable mass spectrometer detector. For both O and OH, two distinct scattering processes were identified, which can be empirically categorized as thermal and non-thermal. Non-thermal scattering is more probable for both O and OH products. The observation of OH confirms that at least some reactive sites, presumably alkyl groups, must be exposed at the surface. The ionic liquid with the longer alkyl chain, [C(12)mim][NTf2], is substantially more reactive than the liquid with the shorter alkyl chain, [emim][NTf2], and proportionately much more so than would be predicted simply from stoichiometry based on the number of abstractable hydrogen atoms. Molecular dynamics models of these surfaces shed light on this change in reactivity. The scattering behavior of O is distinctly different from that of OH. However, no such differences between inelastic and reactive scattering dynamics have been seen in previous work on pure hydrocarbon liquids, in particular the benchmark, partially branched hydrocarbon, squalane (C30H62). The comparison between inelastic and reactive scattering dynamics indicates that inelastic scattering from the ionic liquid surfaces takes place predominantly at non-reactive sites that are effectively stiffer than the reactive alkyl chains, with a higher proportion of collisions sampling such sites for [emim][NTf2] than for [C(12)mitn][NTf2].",
author = "Bohan Wu and Jianming Zhang and Minton, {Timothy K.} and McKendrick, {Kenneth G.} and Slattery, {John M.} and Scott Yockel and Schatz, {George C.}",
year = "2011",
doi = "10.1063/1.3562700",
language = "English",
isbn = "978-0-7354-0889-0",
volume = "1333",
pages = "516--521",
editor = "DA Levin and IJ Wysong and AL Garcia",
booktitle = "27TH INTERNATIONAL SYMPOSIUM ON RAREFIED GAS DYNAMICS, 2010, PTS ONE AND TWO",
publisher = "AMER INST PHYSICS",
edition = "PART 1",

}

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TY - GEN

T1 - Inelastic and Reactive Scattering Dynamics of Hyperthermal Oxygen Atoms on Ionic Liquid Surfaces

T2 - [emim][NTf2] and [C(12)mim][NTf2]

AU - Wu, Bohan

AU - Zhang, Jianming

AU - Minton, Timothy K.

AU - McKendrick, Kenneth G.

AU - Slattery, John M.

AU - Yockel, Scott

AU - Schatz, George C.

PY - 2011

Y1 - 2011

N2 - Collisions of hyperthermal oxygen atoms, with an average translational energy of 520 kJ mol(-1), on continuously refreshed ionic liquids, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([emim][NTf2]) and 1-dodecyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([C(12)mim][NTf2]), were studied with the use of a beam-surface scattering technique. Time-of-flight and angular distributions of inelastically scattered O and reactively scattered OH and H2O were collected for various angles of incidence with the use of a rotatable mass spectrometer detector. For both O and OH, two distinct scattering processes were identified, which can be empirically categorized as thermal and non-thermal. Non-thermal scattering is more probable for both O and OH products. The observation of OH confirms that at least some reactive sites, presumably alkyl groups, must be exposed at the surface. The ionic liquid with the longer alkyl chain, [C(12)mim][NTf2], is substantially more reactive than the liquid with the shorter alkyl chain, [emim][NTf2], and proportionately much more so than would be predicted simply from stoichiometry based on the number of abstractable hydrogen atoms. Molecular dynamics models of these surfaces shed light on this change in reactivity. The scattering behavior of O is distinctly different from that of OH. However, no such differences between inelastic and reactive scattering dynamics have been seen in previous work on pure hydrocarbon liquids, in particular the benchmark, partially branched hydrocarbon, squalane (C30H62). The comparison between inelastic and reactive scattering dynamics indicates that inelastic scattering from the ionic liquid surfaces takes place predominantly at non-reactive sites that are effectively stiffer than the reactive alkyl chains, with a higher proportion of collisions sampling such sites for [emim][NTf2] than for [C(12)mitn][NTf2].

AB - Collisions of hyperthermal oxygen atoms, with an average translational energy of 520 kJ mol(-1), on continuously refreshed ionic liquids, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([emim][NTf2]) and 1-dodecyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([C(12)mim][NTf2]), were studied with the use of a beam-surface scattering technique. Time-of-flight and angular distributions of inelastically scattered O and reactively scattered OH and H2O were collected for various angles of incidence with the use of a rotatable mass spectrometer detector. For both O and OH, two distinct scattering processes were identified, which can be empirically categorized as thermal and non-thermal. Non-thermal scattering is more probable for both O and OH products. The observation of OH confirms that at least some reactive sites, presumably alkyl groups, must be exposed at the surface. The ionic liquid with the longer alkyl chain, [C(12)mim][NTf2], is substantially more reactive than the liquid with the shorter alkyl chain, [emim][NTf2], and proportionately much more so than would be predicted simply from stoichiometry based on the number of abstractable hydrogen atoms. Molecular dynamics models of these surfaces shed light on this change in reactivity. The scattering behavior of O is distinctly different from that of OH. However, no such differences between inelastic and reactive scattering dynamics have been seen in previous work on pure hydrocarbon liquids, in particular the benchmark, partially branched hydrocarbon, squalane (C30H62). The comparison between inelastic and reactive scattering dynamics indicates that inelastic scattering from the ionic liquid surfaces takes place predominantly at non-reactive sites that are effectively stiffer than the reactive alkyl chains, with a higher proportion of collisions sampling such sites for [emim][NTf2] than for [C(12)mitn][NTf2].

UR - http://www.scopus.com/inward/record.url?scp=80054019748&partnerID=8YFLogxK

U2 - 10.1063/1.3562700

DO - 10.1063/1.3562700

M3 - Conference contribution

SN - 978-0-7354-0889-0

VL - 1333

SP - 516

EP - 521

BT - 27TH INTERNATIONAL SYMPOSIUM ON RAREFIED GAS DYNAMICS, 2010, PTS ONE AND TWO

A2 - Levin, DA

A2 - Wysong, IJ

A2 - Garcia, AL

PB - AMER INST PHYSICS

CY - MELVILLE

ER -