메뉴 건너뛰기




Volumn 118, Issue 29, 2014, Pages 5464-5473

Formation and growth of molecular clusters containing sulfuric acid, water, ammonia, and dimethylamine

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; FREE ENERGY; HYDRATION; SULFURIC ACID;

EID: 84905014948     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp503348b     Document Type: Article
Times cited : (72)

References (57)
  • 1
    • 56249135234 scopus 로고    scopus 로고
    • On the Formation and Growth of Atmospheric Nanoparticles
    • Kulmala, M.; Kerminen, V.-M. On the Formation and Growth of Atmospheric Nanoparticles Atmos. Res. 2008, 90, 132-150
    • (2008) Atmos. Res. , vol.90 , pp. 132-150
    • Kulmala, M.1    Kerminen, V.-M.2
  • 4
    • 45149119824 scopus 로고    scopus 로고
    • Dependence of Nucleation Rates on Sulfuric Acid Vapor Concentration in Diverse Atmospheric Locations
    • Kuang, C.; McMurry, P. H.; McCormick, A. V.; Eisele, F. L. Dependence of Nucleation Rates on Sulfuric Acid Vapor Concentration in Diverse Atmospheric Locations J. Geophys. Res.: Atmos. 2008, 113, D10209/1-D10209/9
    • (2008) J. Geophys. Res.: Atmos. , vol.113
    • Kuang, C.1    McMurry, P.H.2    McCormick, A.V.3    Eisele, F.L.4
  • 6
    • 84876324320 scopus 로고    scopus 로고
    • Multiphase Chemistry of Atmospheric Amines
    • Qiu, C.; Zhang, R. Multiphase Chemistry of Atmospheric Amines Phys. Chem. Chem. Phys. 2013, 15, 5738-5752
    • (2013) Phys. Chem. Chem. Phys. , vol.15 , pp. 5738-5752
    • Qiu, C.1    Zhang, R.2
  • 7
    • 84882350227 scopus 로고    scopus 로고
    • Vibrational Spectroscopy of Bisulfate/Sulfuric Acid/Water Clusters: Structure, Stability, and Infrared Multiple-Photon Dissociation Intensities
    • Yacovitch, T. I.; Heine, N.; Brieger, C.; Wende, T.; Hock, C.; Neumark, D. M.; Asmis, K. R. Vibrational Spectroscopy of Bisulfate/Sulfuric Acid/Water Clusters: Structure, Stability, and Infrared Multiple-Photon Dissociation Intensities J. Phys. Chem. A 2013, 117, 7081-7090
    • (2013) J. Phys. Chem. A , vol.117 , pp. 7081-7090
    • Yacovitch, T.I.1    Heine, N.2    Brieger, C.3    Wende, T.4    Hock, C.5    Neumark, D.M.6    Asmis, K.R.7
  • 8
    • 84877699712 scopus 로고    scopus 로고
    • Energetics of Atmospherically Implicated Clusters Made of Sulfuric Acid, Ammonia, and Dimethyl Amine
    • Leverentz, H. R.; Siepmann, J. I.; Truhlar, D. G.; Loukonen, V.; Vehkamäki, H. Energetics of Atmospherically Implicated Clusters Made of Sulfuric Acid, Ammonia, and Dimethyl Amine J. Phys. Chem. A 2013, 117, 3819-3825
    • (2013) J. Phys. Chem. A , vol.117 , pp. 3819-3825
    • Leverentz, H.R.1    Siepmann, J.I.2    Truhlar, D.G.3    Loukonen, V.4    Vehkamäki, H.5
  • 10
    • 84867051131 scopus 로고    scopus 로고
    • Computational Study of the Hydration of Sulfuric Acid Dimers: Implications for Acid Dissociation and Aerosol Formation
    • Temelso, B.; Phan, T. H.; Shields, G. C. Computational Study of the Hydration of Sulfuric Acid Dimers: Implications for Acid Dissociation and Aerosol Formation J. Phys. Chem. A 2012, 116, 9745-9758
    • (2012) J. Phys. Chem. A , vol.116 , pp. 9745-9758
    • Temelso, B.1    Phan, T.H.2    Shields, G.C.3
  • 14
    • 82555168233 scopus 로고    scopus 로고
    • Large Ternary Hydrogen-Bonded Pre-Nucleation Clusters in the Earth's Atmosphere
    • Herb, J.; Nadykto, A. B.; Yu, F. Large Ternary Hydrogen-Bonded Pre-Nucleation Clusters in the Earth's Atmosphere Chem. Phys. Lett. 2011, 518, 7-14
    • (2011) Chem. Phys. Lett. , vol.518 , pp. 7-14
    • Herb, J.1    Nadykto, A.B.2    Yu, F.3
  • 15
    • 79955957649 scopus 로고    scopus 로고
    • A Comment on Nadytko et al., "amines in the Earth's Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters". Entropy 2011, 13, 554-569
    • Kurtèn, T. A Comment on Nadytko et al., "Amines in the Earth's Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters". Entropy 2011, 13, 554-569 Entropy 2011, 13, 915-923
    • (2011) Entropy , vol.13 , pp. 915-923
    • Kurtèn, T.1
  • 16
    • 79953280030 scopus 로고    scopus 로고
    • Amines in the Earth's Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters
    • Nadykto, A. B.; Yu, F.; Jakovleva, M. V.; Herb, J.; Xu, Y. Amines in the Earth's Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters Entropy 2011, 13, 554-569
    • (2011) Entropy , vol.13 , pp. 554-569
    • Nadykto, A.B.1    Yu, F.2    Jakovleva, M.V.3    Herb, J.4    Xu, Y.5
  • 17
    • 79959932607 scopus 로고    scopus 로고
    • Complexes of Molecular and Ionic Character in the Same Matrix Layer: Infrared Studies of the Sulfuric Acid/Ammonia System
    • Rozenberg, M.; Loewenschuss, A.; Nielsen, C. J. Complexes of Molecular and Ionic Character in the Same Matrix Layer: Infrared Studies of the Sulfuric Acid/Ammonia System J. Phys. Chem. A 2011, 115, 5759-5766
    • (2011) J. Phys. Chem. A , vol.115 , pp. 5759-5766
    • Rozenberg, M.1    Loewenschuss, A.2    Nielsen, C.J.3
  • 18
    • 77952987062 scopus 로고    scopus 로고
    • Enhancing Effect of Dimethylamine in Sulfuric Acid Nucleation in the Presence of Water - A Computational Study
    • Loukonen, V.; Kurtén, T.; Ortega, I. K.; Vehkamäki, H.; Padua, A. A. H.; Sellegri, K.; Kulmala, M. Enhancing Effect of Dimethylamine in Sulfuric Acid Nucleation in the Presence of Water - A Computational Study Atmos. Chem. Phys. 2010, 10, 4961-4974
    • (2010) Atmos. Chem. Phys. , vol.10 , pp. 4961-4974
    • Loukonen, V.1    Kurtén, T.2    Ortega, I.K.3    Vehkamäki, H.4    Padua, A.A.H.5    Sellegri, K.6    Kulmala, M.7
  • 19
    • 48749113566 scopus 로고    scopus 로고
    • Amines are Likely to Enhance Neutral and Ion-Induced Sulfuric Acid-Water Nucleation in the Atmosphere More Effectively than Ammonia
    • Kurtén, T.; Loukonen, V.; Vehkamäki, H.; Kulmala, M. Amines are Likely to Enhance Neutral and Ion-Induced Sulfuric Acid-Water Nucleation in the Atmosphere More Effectively than Ammonia Atmos. Chem. Phys. 2008, 8, 4095-4103
    • (2008) Atmos. Chem. Phys. , vol.8 , pp. 4095-4103
    • Kurtén, T.1    Loukonen, V.2    Vehkamäki, H.3    Kulmala, M.4
  • 20
    • 33846452890 scopus 로고    scopus 로고
    • Strong Hydrogen Bonding between Atmospheric Nucleation Precursors and Common Organics
    • Nadykto, A. B.; Yu, F. Strong Hydrogen Bonding between Atmospheric Nucleation Precursors and Common Organics Chem. Phys. Lett. 2007, 435, 14-18
    • (2007) Chem. Phys. Lett. , vol.435 , pp. 14-18
    • Nadykto, A.B.1    Yu, F.2
  • 23
  • 25
    • 33745448962 scopus 로고    scopus 로고
    • Ab Initio and Density Functional Theory Reinvestigation of Gas-Phase Sulfuric Acid Monohydrate and Ammonium Hydrogen Sulfate
    • Kurtén, T.; Sundberg, M. R.; Vehkamäki, H.; Noppel, M.; Blomqvist, J.; Kulmala, M. Ab Initio and Density Functional Theory Reinvestigation of Gas-Phase Sulfuric Acid Monohydrate and Ammonium Hydrogen Sulfate J. Phys. Chem. A 2006, 110, 7178-7188
    • (2006) J. Phys. Chem. A , vol.110 , pp. 7178-7188
    • Kurtén, T.1    Sundberg, M.R.2    Vehkamäki, H.3    Noppel, M.4    Blomqvist, J.5    Kulmala, M.6
  • 26
    • 7044237408 scopus 로고    scopus 로고
    • Sulfuric Acid and Sulfuric Acid Hydrates in the Gas Phase: A DFT Investigation
    • Al Natsheh, A.; Nadykto, A. B.; Mikkelsen, K. V.; Yu, F.; Ruuskanen, J. Sulfuric Acid and Sulfuric Acid Hydrates in the Gas Phase: A DFT Investigation J. Phys. Chem. A 2004, 108, 8914-8929
    • (2004) J. Phys. Chem. A , vol.108 , pp. 8914-8929
    • Al Natsheh, A.1    Nadykto, A.B.2    Mikkelsen, K.V.3    Yu, F.4    Ruuskanen, J.5
  • 27
    • 79957835280 scopus 로고    scopus 로고
    • Heterogeneous Reactions of Alkylamines with Ammonium Sulfate and Ammonium Bisulfate
    • Qiu, C.; Wang, L.; Lal, V.; Khalizov, A. K.; Zhang, R. Heterogeneous Reactions of Alkylamines with Ammonium Sulfate and Ammonium Bisulfate Environ. Sci. Technol. 2011, 45, 4748-4755
    • (2011) Environ. Sci. Technol. , vol.45 , pp. 4748-4755
    • Qiu, C.1    Wang, L.2    Lal, V.3    Khalizov, A.K.4    Zhang, R.5
  • 29
    • 43449119484 scopus 로고    scopus 로고
    • Chemical Composition of Atmospheric Nanoparticles Formed from Nucleation in Tecamac, Mexico: Evidence for an Important Role for Organic Species in Nanoparticle Growth
    • Smith, J. N.; Dunn, M. J.; VanReken, T. M.; Iida, K.; Stolzenburg, M. R.; McMurry, P. H.; Huey, L. G. Chemical Composition of Atmospheric Nanoparticles Formed from Nucleation in Tecamac, Mexico: Evidence for an Important Role for Organic Species in Nanoparticle Growth Geophys. Res. Lett. 2008, 35, L04808/1-L04808/5
    • (2008) Geophys. Res. Lett. , vol.35
    • Smith, J.N.1    Dunn, M.J.2    Vanreken, T.M.3    Iida, K.4    Stolzenburg, M.R.5    McMurry, P.H.6    Huey, L.G.7
  • 30
    • 77950436195 scopus 로고    scopus 로고
    • Atmospheric Nanoparticles Formed from Heterogeneous Reactions of Organics
    • Wang, L.; Khalizov, A. F.; Zheng, J.; Xu, W.; Ma, Y.; Lal, V.; Zhang, R. Atmospheric Nanoparticles Formed from Heterogeneous Reactions of Organics Nat. Geosci. 2010, 3, 238-242
    • (2010) Nat. Geosci. , vol.3 , pp. 238-242
    • Wang, L.1    Khalizov, A.F.2    Zheng, J.3    Xu, W.4    Ma, Y.5    Lal, V.6    Zhang, R.7
  • 31
    • 77951226521 scopus 로고    scopus 로고
    • Amine Exchange into Ammonium Bisulfate and Ammonium Nitrate Nuclei
    • Bzdek, B. R.; Ridge, D. P.; Johnston, M. V. Amine Exchange into Ammonium Bisulfate and Ammonium Nitrate Nuclei Atmos. Chem. Phys. 2010, 10, 3495-3503
    • (2010) Atmos. Chem. Phys. , vol.10 , pp. 3495-3503
    • Bzdek, B.R.1    Ridge, D.P.2    Johnston, M.V.3
  • 32
    • 78049496413 scopus 로고    scopus 로고
    • Size-Dependent Reactions of Ammonium Bisulfate Clusters with Dimethylamine
    • Bzdek, B. R.; Ridge, D. P.; Johnston, M. V. Size-Dependent Reactions of Ammonium Bisulfate Clusters with Dimethylamine J. Phys. Chem. A 2010, 114, 11638-11644
    • (2010) J. Phys. Chem. A , vol.114 , pp. 11638-11644
    • Bzdek, B.R.1    Ridge, D.P.2    Johnston, M.V.3
  • 33
    • 80052170665 scopus 로고    scopus 로고
    • Amine Reactivity with Charged Sulfuric Acid Clusters
    • Bzdek, B. R.; Ridge, D. P.; Johnston, M. V. Amine Reactivity with Charged Sulfuric Acid Clusters Atmos. Chem. Phys. 2011, 11, 8735-8743
    • (2011) Atmos. Chem. Phys. , vol.11 , pp. 8735-8743
    • Bzdek, B.R.1    Ridge, D.P.2    Johnston, M.V.3
  • 34
    • 79951485227 scopus 로고    scopus 로고
    • Reactivity of Methanesulfonic Acid Salt Clusters Relevant to Marine Air
    • Bzdek, B. R.; Ridge, D. P.; Johnston, M. V. Reactivity of Methanesulfonic Acid Salt Clusters Relevant to Marine Air J. Geophys. Res.: Atmos. 2011, 116, D03301/1-D03301/7
    • (2011) J. Geophys. Res.: Atmos. , vol.116
    • Bzdek, B.R.1    Ridge, D.P.2    Johnston, M.V.3
  • 35
    • 84856400325 scopus 로고    scopus 로고
    • Structure and Energetics of Nanometer Size Clusters of Sulfuric Acid with Ammonia and Dimethylamine
    • DePalma, J. W.; Bzdek, B. R.; Doren, D. J.; Johnston, M. V. Structure and Energetics of Nanometer Size Clusters of Sulfuric Acid with Ammonia and Dimethylamine J. Phys. Chem. A 2012, 116, 1030-1040
    • (2012) J. Phys. Chem. A , vol.116 , pp. 1030-1040
    • Depalma, J.W.1    Bzdek, B.R.2    Doren, D.J.3    Johnston, M.V.4
  • 37
    • 0346403233 scopus 로고    scopus 로고
    • Hydrated Complexes: Relevance to Atmospheric Chemistry and Climate
    • Vaida, V.; Kjaergaard, H.; Feierabend, K. Hydrated Complexes: Relevance to Atmospheric Chemistry and Climate Int. Rev. Phys. Chem. 2003, 22, 203-219
    • (2003) Int. Rev. Phys. Chem. , vol.22 , pp. 203-219
    • Vaida, V.1    Kjaergaard, H.2    Feierabend, K.3
  • 38
    • 77953554470 scopus 로고    scopus 로고
    • Getting to the Critical Nucleus of Aerosol Formation
    • Zhang, R. Getting to the Critical Nucleus of Aerosol Formation Science 2010, 328, 1366-1367
    • (2010) Science , vol.328 , pp. 1366-1367
    • Zhang, R.1
  • 39
    • 0842341771 scopus 로고
    • Development and Use of Quantum Mechanical Molecular Models. 76. AM1: A New General Purpose Quantum Mechanical Molecular Model
    • Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. Development and Use of Quantum Mechanical Molecular Models. 76. AM1: A New General Purpose Quantum Mechanical Molecular Model J. Am. Chem. Soc. 1985, 107, 3902-3909
    • (1985) J. Am. Chem. Soc. , vol.107 , pp. 3902-3909
    • Dewar, M.J.S.1    Zoebisch, E.G.2    Healy, E.F.3    Stewart, J.J.P.4
  • 40
    • 84856368549 scopus 로고    scopus 로고
    • Hypercube, Inc. Gainesville, FL
    • HyperChem. Professional 8.0.8; Hypercube, Inc.: Gainesville, FL, 2010.
    • (2010) HyperChem. Professional 8.0.8
  • 41
    • 23244460838 scopus 로고
    • Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation
    • Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation Phys. Rev. B 1992, 46, 6671-6687
    • (1992) Phys. Rev. B , vol.46 , pp. 6671-6687
    • Perdew, J.P.1    Chevary, J.A.2    Vosko, S.H.3    Jackson, K.A.4    Pederson, M.R.5    Singh, D.J.6    Fiolhais, C.7
  • 42
    • 2842565972 scopus 로고    scopus 로고
    • Generalized Gradient Approximation for the Exchange-Correlation Hole of a Many-Electron System
    • Perdew, J. P.; Burke, K.; Wang, Y. Generalized Gradient Approximation for the Exchange-Correlation Hole of a Many-Electron System Phys. Rev. B 1996, 54, 16533-16539
    • (1996) Phys. Rev. B , vol.54 , pp. 16533-16539
    • Perdew, J.P.1    Burke, K.2    Wang, Y.3
  • 44
    • 80055042187 scopus 로고    scopus 로고
    • Benchmark Structures and Binding Energies of Small Water Clusters with Anharmonicity Corrections
    • Temelso, B.; Archer, K. A.; Shields, G. C. Benchmark Structures and Binding Energies of Small Water Clusters with Anharmonicity Corrections J. Phys. Chem. A 2011, 115, 12034-12046
    • (2011) J. Phys. Chem. A , vol.115 , pp. 12034-12046
    • Temelso, B.1    Archer, K.A.2    Shields, G.C.3
  • 45
    • 55849117399 scopus 로고    scopus 로고
    • Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections
    • Chai, J.-D.; Head-Gordon, M. Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections Phys. Chem. Chem. Phys. 2008, 10, 6615-6620
    • (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 6615-6620
    • Chai, J.-D.1    Head-Gordon, M.2
  • 46
    • 43049141516 scopus 로고    scopus 로고
    • The M06 Suite of Density Functionals for Main Group Thermochemistry, Thermochemical Kinetics, Noncovalent Interactions, Excited States, and Transition Elements: Two New Functionals and Systematic Testing of Four M06-Class Functionals and 12 Other Functionals
    • Zhao, Y.; Truhlar, D. G. The M06 Suite of Density Functionals for Main Group Thermochemistry, Thermochemical Kinetics, Noncovalent Interactions, Excited States, and Transition Elements: Two New Functionals and Systematic Testing of Four M06-Class Functionals and 12 Other Functionals Theor. Chem. Acc. 2008, 120, 215-241
    • (2008) Theor. Chem. Acc. , vol.120 , pp. 215-241
    • Zhao, Y.1    Truhlar, D.G.2
  • 47
    • 77951680464 scopus 로고    scopus 로고
    • A Consistent and Accurate Ab Initio Parameterization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu
    • Grimme, S.; Antony, J.; Ehrlich, S.; Kreig, H. A Consistent and Accurate Ab Initio Parameterization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu J. Chem. Phys. 2010, 132, 154104/1-154104/19
    • (2010) J. Chem. Phys. , vol.132
    • Grimme, S.1    Antony, J.2    Ehrlich, S.3    Kreig, H.4
  • 48
    • 84890943616 scopus 로고    scopus 로고
    • 2-Tagged Ammonium/Methylammonium Bisulfate Clusters
    • 2-Tagged Ammonium/Methylammonium Bisulfate Clusters J. Phys. Chem. A 2013, 117, 13265-13274
    • (2013) J. Phys. Chem. A , vol.117 , pp. 13265-13274
    • Johnson, C.J.1    Johnson, M.A.2
  • 51
    • 84863505080 scopus 로고    scopus 로고
    • Communication: Vibrational Spectroscopy of Atmospherically Relevant Acid Cluster Anions: Bisulfate versus Nitrate Core Structures
    • Yacovitch, T. I.; Heine, N.; Brieger, C.; Wende, T.; Hock, C.; Neumark, D. M.; Asmis, K. R. Communication: Vibrational Spectroscopy of Atmospherically Relevant Acid Cluster Anions: Bisulfate versus Nitrate Core Structures J. Chem. Phys. 2012, 136, 241102/1-241102/4
    • (2012) J. Chem. Phys. , vol.136
    • Yacovitch, T.I.1    Heine, N.2    Brieger, C.3    Wende, T.4    Hock, C.5    Neumark, D.M.6    Asmis, K.R.7
  • 52
    • 84894053233 scopus 로고    scopus 로고
    • Trimethylamine/Sulfuric Acid/Water Clusters: A Matrix Isolation Study
    • Rozenberg, M.; Loewenschuss, A.; Nielsen, C. J. Trimethylamine/Sulfuric Acid/Water Clusters: A Matrix Isolation Study J. Phys. Chem. A 2014, 118, 1004-1011
    • (2014) J. Phys. Chem. A , vol.118 , pp. 1004-1011
    • Rozenberg, M.1    Loewenschuss, A.2    Nielsen, C.J.3
  • 53
    • 65649122637 scopus 로고    scopus 로고
    • Matrix Isolation Infrared Spectrum of the Sulfuric Acid-Monohydrate Complex: New Assignments and Resolution of the "missing H-Bonded ν(OH) Band" Issue
    • Rozenberg, M.; Loewenschuss, A. Matrix Isolation Infrared Spectrum of the Sulfuric Acid-Monohydrate Complex: New Assignments and Resolution of the "Missing H-Bonded ν(OH) Band" Issue J. Phys. Chem. A 2009, 113, 4963-4971
    • (2009) J. Phys. Chem. A , vol.113 , pp. 4963-4971
    • Rozenberg, M.1    Loewenschuss, A.2
  • 55
    • 0034275014 scopus 로고    scopus 로고
    • Phase Transitions of Aqueous Atmospheric Particles
    • Martin, S. T. Phase Transitions of Aqueous Atmospheric Particles Chem. Rev. 2000, 100, 3403-3453
    • (2000) Chem. Rev. , vol.100 , pp. 3403-3453
    • Martin, S.T.1
  • 56
    • 84903362588 scopus 로고    scopus 로고
    • A Theoretical Study of Hydrated Molecular Clusters of Amines and Dicarboxylic Acids
    • Xu, W.; Zhang, R. A Theoretical Study of Hydrated Molecular Clusters of Amines and Dicarboxylic Acids J. Chem. Phys. 2013, 139, 064312/1-064312/11
    • (2013) J. Chem. Phys. , vol.139
    • Xu, W.1    Zhang, R.2
  • 57
    • 84863012379 scopus 로고    scopus 로고
    • Effects of Amines on Formation of Sub-3 nm Particles and Their Subsequent Growth
    • Yu, H.; McGraw, R.; Lee, S.-H. Effects of Amines on Formation of Sub-3 nm Particles and Their Subsequent Growth Geo. Res. Lett. 2012, 39, L02807/1-L02807/5
    • (2012) Geo. Res. Lett. , vol.39
    • Yu, H.1    McGraw, R.2    Lee, S.-H.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.