Dynamics of nitrogen dissociation from direct molecular simulation

Valentini, Paolo; Schwartzentruber, Thomas E.; Bender, Jason D.; Candler, Graham V.

doi:10.1103/PhysRevFluids.1.043402

Title: Dynamics of nitrogen dissociation from direct molecular simulation

Authors:: Valentini, Paolo; Schwartzentruber, Thomas E.; Bender, Jason D.; Candler, Graham V.

Publication Date:: Thu Aug 25 00:00:00 EDT 2016

Sponsoring Org.:: USDOE

OSTI Identifier:: 1306692

Grant/Contract Number:: FG02-97ER25308

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Fluids

Additional Journal Information:: Journal Name: Physical Review Fluids Journal Volume: 1 Journal Issue: 4; Journal ID: ISSN 2469-990X

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Valentini, Paolo, Schwartzentruber, Thomas E., Bender, Jason D., and Candler, Graham V. Dynamics of nitrogen dissociation from direct molecular simulation.  United States: N. p., 2016. 
Web.  doi:10.1103/PhysRevFluids.1.043402.

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                    Valentini, Paolo, Schwartzentruber, Thomas E., Bender, Jason D., & Candler, Graham V. Dynamics of nitrogen dissociation from direct molecular simulation.  United States.  https://doi.org/10.1103/PhysRevFluids.1.043402

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                    Valentini, Paolo, Schwartzentruber, Thomas E., Bender, Jason D., and Candler, Graham V. Thu .  
"Dynamics of nitrogen dissociation from direct molecular simulation".  United States.  https://doi.org/10.1103/PhysRevFluids.1.043402.

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@article{osti_1306692,

  title        = {Dynamics of nitrogen dissociation from direct molecular simulation},

  author       = {Valentini, Paolo and Schwartzentruber, Thomas E. and Bender, Jason D. and Candler, Graham V.},

  abstractNote = {},

  doi          = {10.1103/PhysRevFluids.1.043402},

  journal      = {Physical Review Fluids},

  number       = 4,

  volume       = 1,

  place        = {United States},

  year         = {Thu Aug 25 00:00:00 EDT 2016},

  month        = {Thu Aug 25 00:00:00 EDT 2016}

}

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Works referenced in this record:

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Title: Dynamics of nitrogen dissociation from direct molecular simulation

Citation Formats

Potential energy surface fitting by a statistically localized, permutationally invariant, local interpolating moving least squares method for the many-body potential: Method and application to N 4 journal, February 2014

Rotational Relaxation of N2 Behind a Strong Shock Wave journal, October 2004

Systematics of Vibrational Relaxation journal, December 1963

State-resolved master equation analysis of thermochemical nonequilibrium of nitrogen journal, March 2013

Non-equilibrium coupled kinetics in stationary N 2 -O 2 discharges journal, September 1995

Shock‐Tube Study of Nitrogen Dissociation using Vacuum‐Ultraviolet Light Absorption journal, January 1968

Vibrational energy transfer in N2–N2 collisions: A new semiclassical study journal, November 2005

Exchange Reactions with Activation Energy. I. Simple Barrier Potential for (H, H 2 ) journal, November 1965

Global ab initio ground-state potential energy surface of N 4 journal, July 2013

Assessment of a two-temperature kinetic model for dissociating and weakly ionizing nitrogen journal, January 1988

Review of chemical-kinetic problems of future NASA missions. I - Earth entries journal, July 1993

Assessment of two-temperature kinetic model for ionizing air journal, July 1989

GPU-accelerated Classical Trajectory Calculation Direct Simulation Monte Carlo applied to shock waves journal, August 2013

Two-temperature models for nitrogen dissociation journal, December 2007

An improved potential energy surface and multi-temperature quasiclassical trajectory calculations of N 2 + N 2 dissociation reactions journal, August 2015

VV and VT rate coefficients in N2 by a quantum-classical model journal, November 1979

Direct molecular simulation of nitrogen dissociation based on an ab initio potential energy surface journal, August 2015

Rovibrational coupling in molecular nitrogen at high temperature: An atomic-level study journal, May 2014

Rovibrational internal energy transfer and dissociation of N2(1Σg+)−N(4Su) system in hypersonic flows journal, January 2013

N–N2 state to state vibrational-relaxation and dissociation rates based on quasiclassical calculations journal, December 2006

Shock-Tube Study of Nitrogen Dissociation Rates Using Pressure Measurements journal, February 1972

Monte Carlo direct simulation of rotational relaxation of nitrogen through high total temperature shock waves using classical trajectory calculations journal, October 1998

Shock‐Tube Measurement of the Rate of Dissociation of Nitrogen journal, February 1966

Potential energy surface fitting by a statistically localized, permutationally invariant, local interpolating moving least squares method for the many-body potential: Method and application to N ₄
journal, February 2014

Rotational Relaxation of N2 Behind a Strong Shock Wave
journal, October 2004

Systematics of Vibrational Relaxation
journal, December 1963

State-resolved master equation analysis of thermochemical nonequilibrium of nitrogen
journal, March 2013

Non-equilibrium coupled kinetics in stationary N ₂ -O ₂ discharges
journal, September 1995

Shock‐Tube Study of Nitrogen Dissociation using Vacuum‐Ultraviolet Light Absorption
journal, January 1968

Vibrational energy transfer in N2–N2 collisions: A new semiclassical study
journal, November 2005

Exchange Reactions with Activation Energy. I. Simple Barrier Potential for (H, H ₂ )
journal, November 1965

Global ab initio ground-state potential energy surface of N ₄
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Assessment of a two-temperature kinetic model for dissociating and weakly ionizing nitrogen
journal, January 1988

Review of chemical-kinetic problems of future NASA missions. I - Earth entries
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Assessment of two-temperature kinetic model for ionizing air
journal, July 1989

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journal, August 2013

Two-temperature models for nitrogen dissociation
journal, December 2007

An improved potential energy surface and multi-temperature quasiclassical trajectory calculations of N ₂ + N ₂ dissociation reactions
journal, August 2015

VV and VT rate coefficients in N2 by a quantum-classical model
journal, November 1979

Direct molecular simulation of nitrogen dissociation based on an ab initio potential energy surface
journal, August 2015

Rovibrational coupling in molecular nitrogen at high temperature: An atomic-level study
journal, May 2014

Rovibrational internal energy transfer and dissociation of N2(1Σg+)−N(4Su) system in hypersonic flows
journal, January 2013

N–N2 state to state vibrational-relaxation and dissociation rates based on quasiclassical calculations
journal, December 2006

Shock-Tube Study of Nitrogen Dissociation Rates Using Pressure Measurements
journal, February 1972

Monte Carlo direct simulation of rotational relaxation of nitrogen through high total temperature shock waves using classical trajectory calculations
journal, October 1998

Shock‐Tube Measurement of the Rate of Dissociation of Nitrogen
journal, February 1966