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Volumn 11, Issue 2, 2011, Pages 519-527

Glycine in aerosol water droplets: A critical assessment of Köhler theory by predicting surface tension from molecular dynamics simulations

Author keywords

[No Author keywords available]

Indexed keywords

AEROSOL; AMINO ACID; CLOUD DROPLET; MARINE ATMOSPHERE; NUCLEATION; SUPERSATURATION; SURFACE TENSION;

EID: 78751504505     PISSN: 16807316     EISSN: 16807324     Source Type: Journal    
DOI: 10.5194/acp-11-519-2011     Document Type: Article
Times cited : (27)

References (37)
  • 1
    • 36449008627 scopus 로고
    • Molecular dynamics simulation of the orthobaric densities and surface tension of water
    • Alejandre, J., Tildesley, D. J., and Chapela, G. A.: Molecular dynamics simulation of the orthobaric densities and surface tension of water, J. Chem. Phys., 102, 4574-4583, 1995.
    • (1995) J. Chem. Phys. , vol.102 , pp. 4574-4583
    • Alejandre, J.1    Tildesley, D.J.2    Chapela, G.A.3
  • 3
    • 1942526561 scopus 로고
    • The oceanic production of volatile cloud nuclei
    • Blanchard, D. C.: The oceanic production of volatile cloud nuclei, J. Atmos. Sci., 28, 811-812, 1971.
    • (1971) J. Atmos. Sci. , vol.28 , pp. 811-812
    • Blanchard, D.C.1
  • 4
    • 0000149924 scopus 로고
    • Film drop production as a function of bubble size
    • Blanchard, D. C. and Syzdek, L. D.: Film drop production as a function of bubble size, J. Geophys. Res., 93, 3649-3654, 1988.
    • (1988) J. Geophys. Res. , vol.93 , pp. 3649-3654
    • Blanchard, D.C.1    Syzdek, L.D.2
  • 5
    • 78049293788 scopus 로고    scopus 로고
    • Curvature dependence of surface free energy of liquid drops and bubbles: A simulation study
    • doi:10.1063/1.3493464
    • Block, B. J., Das, S. K., Oettel, M., Virnau, P., and Binder, K.: Curvature dependence of surface free energy of liquid drops and bubbles: A simulation study, J. Chem. Phys., 133, 154702, doi:10.1063/1.3493464, 2010.
    • (2010) J. Chem. Phys. , vol.133 , pp. 154702
    • Block, B.J.1    Das, S.K.2    Oettel, M.3    Virnau, P.4    Binder, K.5
  • 6
    • 0000448465 scopus 로고
    • Tail corrections to the surface tension of a Lennard-Jones liquid-vapour interface
    • Blokhuis, E. M., Bedeaux, D., Holcomb, C. D., and Zollweg, J. A.: Tail corrections to the surface tension of a Lennard-Jones liquid-vapour interface, Mol. Phys., 85, 665-669, 1995.
    • (1995) Mol. Phys. , vol.85 , pp. 665-669
    • Blokhuis, E.M.1    Bedeaux, D.2    Holcomb, C.D.3    Zollweg, J.A.4
  • 7
    • 0029952499 scopus 로고    scopus 로고
    • Local Structure and work of formation of water clusters studied by molecular dynamics simulations
    • Brodskaya, E. N., Eriksson, J. C., Laaksonen, A., and Rusanov, A. I.: Local Structure and work of formation of water clusters studied by molecular dynamics simulations, J. Colloid Interface Sci., 180, 86-97, 1996.
    • (1996) J. Colloid Interface Sci. , vol.180 , pp. 86-97
    • Brodskaya, E.N.1    Eriksson, J.C.2    Laaksonen, A.3    Rusanov, A.I.4
  • 8
    • 0016192651 scopus 로고
    • Surface tension of amino acid solutions: A hydrophobicity scale of the amino acid residues
    • Bull, H. B. and Breese, K.: Surface tension of amino acid solutions: a hydrophobicity scale of the amino acid residues, Arch. Biochem. Biophys., 161, 665-670, 1974.
    • (1974) Arch. Biochem. Biophys. , vol.161 , pp. 665-670
    • Bull, H.B.1    Breese, K.2
  • 9
    • 34250722692 scopus 로고    scopus 로고
    • Simulated surface tensions of common water models
    • DOI 10.1063/1.2745718
    • Chen, F. and Smith, P. E.: Simulated surface tensions of common water models, J. Chem. Phys., 126, 221101, doi:10.1063/1.2745718, 2007. (Pubitemid 46961569)
    • (2007) Journal of Chemical Physics , vol.126 , Issue.22 , pp. 221101
    • Chen, F.1    Smith, P.E.2
  • 10
    • 33846823909 scopus 로고
    • Particle mesh Ewald: An N-log(N) method for Ewald sums in large systems
    • Darden, T., York, D., and Pedersen, L.: Particle mesh Ewald: An N-log(N) method for Ewald sums in large systems, J. Chem. Phys., 98, 10089-10092, 1993.
    • (1993) J. Chem. Phys. , vol.98 , pp. 10089-10092
    • Darden, T.1    York, D.2    Pedersen, L.3
  • 12
    • 0033575915 scopus 로고    scopus 로고
    • Cloud albedo enhancement by surface-active organic solutes in growing droplets
    • Facchini, M. C., Mircea, M., Fuzzi, S., and Charlson, R. J.: Cloud albedo enhancement by surface-active organic solutes in growing droplets, Nature, 401, 257-259, 1999.
    • (1999) Nature , vol.401 , pp. 257-259
    • Facchini, M.C.1    Mircea, M.2    Fuzzi, S.3    Charlson, R.J.4
  • 13
    • 38749123962 scopus 로고    scopus 로고
    • P-LINCS: A parallel linear constraint solver for molecular simulation
    • Hess, B.: P-LINCS: A parallel linear constraint solver for molecular simulation, J. Chem. Theory Comput., 4, 116-122, 2008.
    • (2008) J. Chem. Theory Comput. , vol.4 , pp. 116-122
    • Hess, B.1
  • 14
    • 0000388705 scopus 로고    scopus 로고
    • LINCS: A linear constraint solver for molecular simulations
    • Hess, B., Bekker, H., Berendsen, H. J. C., and Fraaije, J. G. E. M.: LINCS: A linear constraint solver for molecular simulations, J. Comput. Chem., 18, 1463-1472, 1997.
    • (1997) J. Comput. Chem. , vol.18 , pp. 1463-1472
    • Hess, B.1    Bekker, H.2    Berendsen, H.J.C.3    Fraaije, J.G.E.M.4
  • 15
    • 46249092554 scopus 로고    scopus 로고
    • GRO-MACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
    • Hess, B., Kutzner, C., van der Spoel, D., and Lindahl, E.: GRO-MACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation, J. Chem. Theory Comput., 4, 435-447, 2008.
    • (2008) J. Chem. Theory Comput. , vol.4 , pp. 435-447
    • Hess, B.1    Kutzner, C.2    Van Der Spoel, D.3    Lindahl, E.4
  • 16
    • 0001538909 scopus 로고
    • Canonical dynamics: Equilibrium phase-space distributions
    • Hoover, W. G.: Canonical dynamics: equilibrium phase-space distributions, Phys. Rev. A, 31, 1695-1697, 1985.
    • (1985) Phys. Rev. A , vol.31 , pp. 1695-1697
    • Hoover, W.G.1
  • 17
    • 33646967528 scopus 로고
    • The statistical mechanical theory of transport processes. IV. The equations of hydrodynamics
    • Irving, J. H. and Kirkwood, J. G.: The statistical mechanical theory of transport processes. IV. The equations of hydrodynamics, J. Chem. Phys., 18, 817-829, 1950.
    • (1950) J. Chem. Phys. , vol.18 , pp. 817-829
    • Irving, J.H.1    Kirkwood, J.G.2
  • 18
    • 0029912748 scopus 로고    scopus 로고
    • Development and testing of the OPLS all-atom force field on conforma-tional energetics and properties of organic liquids
    • Jorgensen, W. L., Maxwell, D. S., and Tirado-Rives, J.: Development and testing of the OPLS all-atom force field on conforma-tional energetics and properties of organic liquids, J. Am. Chem. Soc., 118, 11225-11236, 1996.
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 11225-11236
    • Jorgensen, W.L.1    Maxwell, D.S.2    Tirado-Rives, J.3
  • 19
    • 77955700430 scopus 로고    scopus 로고
    • A thermody-namically consistent determination of surface tension of small Lennard-Jones clusters from simulation and theory
    • doi:10.1063/1.3456184
    • Julin, J., Napari, I., Merikanto, J., and Vehkamäki, H.: A thermody-namically consistent determination of surface tension of small Lennard-Jones clusters from simulation and theory, J. Chem. Phys., 133, 044704, doi:10.1063/1.3456184, 2010.
    • (2010) J. Chem. Phys. , vol.133 , pp. 044704
    • Julin, J.1    Napari, I.2    Merikanto, J.3    Vehkamäki, H.4
  • 20
    • 75249092017 scopus 로고    scopus 로고
    • Cloud droplet activation of amino acid aerosol particles
    • Kristensson, A., Rosenørn, T., and Bilde, M.: Cloud droplet activation of amino acid aerosol particles, J. Phys. Chem. A, 114, 379-386, 2010.
    • (2010) J. Phys. Chem. A , vol.114 , pp. 379-386
    • Kristensson, A.1    Rosenørn, T.2    Bilde, M.3
  • 21
    • 15544368017 scopus 로고
    • The nucleus in and the growth of hygroscopic droplets
    • Köhler, H.: The nucleus in and the growth of hygroscopic droplets, Trans. Faraday Soc., 32, 1152-1161, 1936.
    • (1936) Trans. Faraday Soc. , vol.32 , pp. 1152-1161
    • Köhler, H.1
  • 22
    • 77749264304 scopus 로고    scopus 로고
    • Surface-active cis-pinonic acid in atmospheric droplets: A molecular dynamics study
    • Li, X., Hede, T., Tu, Y., Leck, C., and A? gren, H.: Surface-active cis-pinonic acid in atmospheric droplets: A molecular dynamics study, J. Phys. Chem. Lett., 1, 769-773, 2010.
    • (2010) J. Phys. Chem. Lett. , vol.1 , pp. 769-773
    • Li, X.1    Hede, T.2    Tu, Y.3    Leck, C.4    Agren, H.5
  • 23
    • 7444248488 scopus 로고    scopus 로고
    • Scaling properties of the critical nucleus in classical and molecular-based theories of vapor-liquid nucleation
    • McGraw, R. and Laaksonen, A.: Scaling properties of the critical nucleus in classical and molecular-based theories of vapor-liquid nucleation, Phys. Rev. Lett., 76, 2754-2757, 1996.
    • (1996) Phys. Rev. Lett. , vol.76 , pp. 2754-2757
    • McGraw, R.1    Laaksonen, A.2
  • 24
    • 0023119655 scopus 로고
    • Free amino acids in marine rains: Evidence for oxidation and potential role in nitrogen cycling
    • Mopper, K. and Zika, R. G.: Free amino acids in marine rains: evidence for oxidation and potential role in nitrogen cycling, Nature, 325, 246-249, 1987.
    • (1987) Nature , vol.325 , pp. 246-249
    • Mopper, K.1    Zika, R.G.2
  • 25
    • 84943502952 scopus 로고
    • A molecular dynamics method for simulations in the canonical ensemble
    • Nosé, S.: A molecular dynamics method for simulations in the canonical ensemble, Mol. Phys., 52, 255-268, 1984.
    • (1984) Mol. Phys. , vol.52 , pp. 255-268
    • Nosé, S.1
  • 26
    • 0002573392 scopus 로고
    • The surface tension of aqueous solutions of dipolar ions
    • Pappenheimer, J. R., Lepie, M. P., and Wyman Jr., J.: The surface tension of aqueous solutions of dipolar ions, J. Am. Chem. Soc., 58, 1851-1855, 1936.
    • (1936) J. Am. Chem. Soc. , vol.58 , pp. 1851-1855
    • Pappenheimer, J.R.1    Lepie, M.P.2    Wyman Jr., J.3
  • 28
    • 77951121903 scopus 로고    scopus 로고
    • Communications: Evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension
    • doi:10.1063/1.3456184
    • Sampayo, J. G., Malijevský, A., Müller, E. A., de Miguel, E., and Jackson, G.: Communications: Evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension, J. Chem. Phys., 132, 141101, doi:10.1063/1.3456184, 2010.
    • (2010) J. Chem. Phys. , vol.132 , pp. 141101
    • Sampayo, J.G.1    Malijevský, A.2    Müller, E.A.3    De Miguel, E.4    Jackson, G.5
  • 29
    • 0001692534 scopus 로고
    • Evidence of the biogenic nuclei involvement in antarctic coastal clouds
    • Saxena, V. K.: Evidence of the biogenic nuclei involvement in antarctic coastal clouds, J. Phys. Chem., 87, 4130-4134, 1983.
    • (1983) J. Phys. Chem. , vol.87 , pp. 4130-4134
    • Saxena, V.K.1
  • 31
    • 29944445558 scopus 로고    scopus 로고
    • Atmospheric organic and bio-aerosols as cloud condensation nuclei (CCN): A review
    • Sun, J. and Ariya, P. A.: Atmospheric organic and bio-aerosols as cloud condensation nuclei (CCN): a review, Atmos. Environ., 40, 795-820, 2006.
    • (2006) Atmos. Environ. , vol.40 , pp. 795-820
    • Sun, J.1    Ariya, P.A.2
  • 33
    • 34147162778 scopus 로고
    • The effect of droplet size on surface tension
    • Tolman, R. C.: The effect of droplet size on surface tension, J. Chem. Phys., 17, 333-337, 1949.
    • (1949) J. Chem. Phys. , vol.17 , pp. 333-337
    • Tolman, R.C.1
  • 34
    • 0016265165 scopus 로고
    • Pollution and the planetary albedo
    • Twomey, S.: Pollution and the planetary albedo, Atmos. Environ., 8, 1251-1256, 1974.
    • (1974) Atmos. Environ. , vol.8 , pp. 1251-1256
    • Twomey, S.1
  • 36
    • 72049102407 scopus 로고    scopus 로고
    • Direct determination of the Tolman length from the bulk pressures of liquid drops via molecular dynamics simulations
    • doi:10.1063/1.3253685
    • Van Giessen, A. E. and Blokhuis, E. M.: Direct determination of the Tolman length from the bulk pressures of liquid drops via molecular dynamics simulations, J. Chem. Phys., 131, 164705, doi:10.1063/1.3253685, 2009.
    • (2009) J. Chem. Phys. , vol.131 , pp. 164705
    • Van Giessen, A.E.1    Blokhuis, E.M.2
  • 37
    • 0001060901 scopus 로고    scopus 로고
    • Surface tension of water droplets: A molecular dynamics study of model and size dependencies
    • Zakharov, V. V., Brodskaya, E. N., and Laaksonen, A.: Surface tension of water droplets: A molecular dynamics study of model and size dependencies, J. Chem. Phys., 107, 10675-10683, 1997.
    • (1997) J. Chem. Phys. , vol.107 , pp. 10675-10683
    • Zakharov, V.V.1    Brodskaya, E.N.2    Laaksonen, A.3


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