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Volumn 8, Issue 5, 2016, Pages 454-460

Carbon dioxide transport in molten calcium carbonate occurs through an oxo-Grotthuss mechanism via a pyrocarbonate anion

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EID: 84964440159     PISSN: 17554330     EISSN: 17554349     Source Type: Journal    
DOI: 10.1038/nchem.2450     Document Type: Article
Times cited : (74)

References (39)
  • 1
    • 57149091744 scopus 로고    scopus 로고
    • Carbonatite melts and electrical conductivity in the asthenosphere
    • Gaillard, F., Malki, M., Iacono-Marziano, G., Pichavant, M. & Scaillet, B. Carbonatite melts and electrical conductivity in the asthenosphere. Science 322, 1363-1365 (2008).
    • (2008) Science , vol.322 , pp. 1363-1365
    • Gaillard, F.1    Malki, M.2    Iacono-Marziano, G.3    Pichavant, M.4    Scaillet, B.5
  • 3
    • 71449125303 scopus 로고    scopus 로고
    • Nyerereite and nahcolite inclusions in diamond: Evidence for lower-mantle carbonatitic melts
    • Kaminsky, F., Wirth, R., Schreiber, A. & Thomas, R. Nyerereite and nahcolite inclusions in diamond: evidence for lower-mantle carbonatitic melts. Mineral. Mag. 73, 797-816 (2009).
    • (2009) Mineral. Mag. , vol.73 , pp. 797-816
    • Kaminsky, F.1    Wirth, R.2    Schreiber, A.3    Thomas, R.4
  • 4
    • 67651015266 scopus 로고    scopus 로고
    • Nyerereite from carbonatite rocks at vulture volcano: Implications for mantle metasomatism and petrogenesis of alkali carbonate melts
    • Stoppa, F., Jones, A. P. & Sharygin, V. Nyerereite from carbonatite rocks at Vulture volcano: implications for mantle metasomatism and petrogenesis of alkali carbonate melts. Cent. Euro. J. Geosci. 1, 131-151 (2009).
    • (2009) Cent. Euro. J. Geosci. , vol.1 , pp. 131-151
    • Stoppa, F.1    Jones, A.P.2    Sharygin, V.3
  • 5
    • 84855239868 scopus 로고    scopus 로고
    • Mineralogy of the lower mantle: A review of 'super-deep' mineral inclusions in diamond
    • Kaminsky, F. Mineralogy of the lower mantle: a review of 'super-deep' mineral inclusions in diamond. Earth Sci. Rev. 110, 127-147 (2012).
    • (2012) Earth Sci. Rev. , vol.110 , pp. 127-147
    • Kaminsky, F.1
  • 6
    • 77957275702 scopus 로고    scopus 로고
    • The deep carbon cycle and melting in Earth's interior
    • Dasgupta, R. & Hirschmann, M. M. The deep carbon cycle and melting in Earth's interior. Earth Planet. Sci. Lett. 298, 1-13 (2010).
    • (2010) Earth Planet. Sci. Lett. , vol.298 , pp. 1-13
    • Dasgupta, R.1    Hirschmann, M.M.2
  • 7
    • 33645456787 scopus 로고    scopus 로고
    • Melting in Earth's deep upper mantle caused by carbon dioxide
    • Dasgupta, R. & Hirschmann, M. M. Melting in Earth's deep upper mantle caused by carbon dioxide. Nature 440, 659-662 (2006).
    • (2006) Nature , vol.440 , pp. 659-662
    • Dasgupta, R.1    Hirschmann, M.M.2
  • 8
    • 84922842572 scopus 로고    scopus 로고
    • 2 electrochemical reduction into CO or C in molten carbonates: A thermodynamic point of view
    • 2 electrochemical reduction into CO or C in molten carbonates: a thermodynamic point of view. Electrochim. Acta 160, 74-81 (2015).
    • (2015) Electrochim. Acta , vol.160 , pp. 74-81
    • Chery, D.1    Lair, V.2    Cassir, M.3
  • 10
    • 84879350403 scopus 로고    scopus 로고
    • Mass transfer in molten salt and suspended molten salt in bubble column
    • Kanai, Y., Fukunaga, K., Terasaka, K. & Fujioka, S. Mass transfer in molten salt and suspended molten salt in bubble column. Chem. Eng. Sci. 100, 153-159 (2013).
    • (2013) Chem. Eng. Sci. , vol.100 , pp. 153-159
    • Kanai, Y.1    Fukunaga, K.2    Terasaka, K.3    Fujioka, S.4
  • 11
    • 0032795216 scopus 로고    scopus 로고
    • 3 (43.5:31.5:25.0 mol-%) eutectic mixture at 973K. I. Experimental part
    • 3 (43.5:31.5:25.0 mol-%) eutectic mixture at 973K. I. Experimental part. Eur. J. Inorg. Chem. 1999, 583-588 (1999).
    • (1999) Eur. J. Inorg. Chem. , vol.1999 , pp. 583-588
    • Claes, P.1    Moyaux, D.2    Peeters, D.3
  • 12
    • 0032792046 scopus 로고    scopus 로고
    • 3 (43.5:31.5:25.0 mol-%) eutectic mixture at 973K. II. Theoretical part
    • 3 (43.5:31.5:25.0 mol-%) eutectic mixture at 973K. II. Theoretical part. Eur. J. Inorg. Chem. 1999, 589-592 (1999).
    • (1999) Eur. J. Inorg. Chem. , vol.1999 , pp. 589-592
    • Peeters, D.1    Moyaux, D.2    Claes, P.3
  • 15
    • 84880545061 scopus 로고    scopus 로고
    • 2 flux membranes containing highly interconnected three dimensional ionic channels
    • 2 flux membranes containing highly interconnected three dimensional ionic channels. Phys. Chem. Chem. Phys. 15, 13147-13152 (2013).
    • (2013) Phys. Chem. Chem. Phys. , vol.15 , pp. 13147-13152
    • Zhang, L.1
  • 16
    • 12344265912 scopus 로고    scopus 로고
    • The hidden equilibrium in aqueous sodium carbonate solutions-evidence for the formation of the dicarbonate anion
    • Zeller, K.-P., Schuler, P. & Haiss, P. The hidden equilibrium in aqueous sodium carbonate solutions-evidence for the formation of the dicarbonate anion. Eur. J. Inorg. Chem. 168-172 (2005).
    • (2005) Eur. J. Inorg. Chem. , pp. 168-172
    • Zeller, K.-P.1    Schuler, P.2    Haiss, P.3
  • 18
    • 84958665894 scopus 로고    scopus 로고
    • Carbon dioxide in silicate melts at upper mantle conditions: Insights from atomistic simulations
    • Vuilleumier, R., Seitsonen, A. P., Sator, N. & Guillot, B. Carbon dioxide in silicate melts at upper mantle conditions: insights from atomistic simulations. Chem. Geol. 418, 77-88 (2015).
    • (2015) Chem. Geol. , vol.418 , pp. 77-88
    • Vuilleumier, R.1    Seitsonen, A.P.2    Sator, N.3    Guillot, B.4
  • 19
    • 84861536803 scopus 로고    scopus 로고
    • Ab initio molecular dynamics study of dissociation of water under an electric field
    • Saitta, A. M., Saija, F. & Giaquinta, P. V. Ab initio molecular dynamics study of dissociation of water under an electric field. Phys. Rev. Lett. 108, 207801 (2012).
    • (2012) Phys. Rev. Lett. , vol.108 , pp. 207801
    • Saitta, A.M.1    Saija, F.2    Giaquinta, P.V.3
  • 20
    • 84923086441 scopus 로고    scopus 로고
    • An abnormal N-heterocyclic carbene-carbon dioxide adduct from imidazolium acetate ionic liquids: The importance of basicity
    • Kelemen, Z. et al. An abnormal N-heterocyclic carbene-carbon dioxide adduct from imidazolium acetate ionic liquids: the importance of basicity. Chem. Eur. J. 20, 13002-13008 (2014).
    • (2014) Chem. Eur. J. , vol.20 , pp. 13002-13008
    • Kelemen, Z.1
  • 22
    • 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
  • 23
    • 34547809547 scopus 로고
    • A unified formulation of the constant temperature molecular-dynamics methods
    • Nosé, S. A unified formulation of the constant temperature molecular-dynamics methods. J. Chem. Phys. 81, 511-519 (1984).
    • (1984) J. Chem. Phys. , vol.81 , pp. 511-519
    • Nosé, S.1
  • 24
    • 0034781336 scopus 로고    scopus 로고
    • 3 at high pressure and high temperature
    • 3 at high pressure and high temperature. Am. Mineral. 86, 997-1002 (2001).
    • (2001) Am. Mineral. , vol.86 , pp. 997-1002
    • Suito, K.1
  • 27
    • 15344345714 scopus 로고    scopus 로고
    • QUICKSTEP: Fast and accurate density functional calculations using a mixed Gaussian and plane waves
    • Vande Vondele, J. et al. QUICKSTEP: fast and accurate density functional calculations using a mixed Gaussian and plane waves. Comp. Phys. Commun. 167, 103-128 (2005).
    • (2005) Comp. Phys. Commun. , vol.167 , pp. 103-128
    • Vande Vondele, J.1
  • 28
    • 0000620023 scopus 로고    scopus 로고
    • A hybrid Gaussian and plane wave density functional scheme
    • Lippert, G., Hutter, J. & Parrinello, M. A hybrid Gaussian and plane wave density functional scheme. Mol. Phys. 92, 477-487 (1997).
    • (1997) Mol. Phys. , vol.92 , pp. 477-487
    • Lippert, G.1    Hutter, J.2    Parrinello, M.3
  • 29
    • 0000160164 scopus 로고    scopus 로고
    • Separable dual-space Gaussian pseudopotentials
    • Goedecker, S., Teter, M. & Hutter, J. Separable dual-space Gaussian pseudopotentials. Phys. Rev. B 54, 1703-1710 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 1703-1710
    • Goedecker, S.1    Teter, M.2    Hutter, J.3
  • 30
    • 0000083717 scopus 로고    scopus 로고
    • Relativistic separable dual-space Gaussian pseudopotentials from H to Rn
    • Hartwigsen, C., Goedecker, S. & Hutter, J. Relativistic separable dual-space Gaussian pseudopotentials from H to Rn. Phys. Rev. B 58, 3641-3662 (1998).
    • (1998) Phys. Rev. B , vol.58 , pp. 3641-3662
    • Hartwigsen, C.1    Goedecker, S.2    Hutter, J.3
  • 31
    • 25144446255 scopus 로고    scopus 로고
    • Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals
    • Krack, M. Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals. Theor. Chem. Acc. 114, 145-152 (2005).
    • (2005) Theor. Chem. Acc. , vol.114 , pp. 145-152
    • Krack, M.1
  • 32
    • 22944439420 scopus 로고    scopus 로고
    • The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water
    • Vande Vondele, J. et al. The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water. J. Chem. Phys. 122, 014515 (2005).
    • (2005) J. Chem. Phys. , vol.122 , pp. 014515
    • Vande Vondele, J.1
  • 33
    • 34648843516 scopus 로고    scopus 로고
    • Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
    • Vande Vondele, J. & Hutter, J. Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases. J. Chem. Phys. 127, 114105 (2007).
    • (2007) J. Chem. Phys. , vol.127 , pp. 114105
    • Vande Vondele, J.1    Hutter, J.2
  • 34
    • 4243553426 scopus 로고
    • Density-functional exchange-energy approximation with correct asymptotic behavior
    • Becke, A. D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 38, 3098-3100 (1988).
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 35
    • 0345491105 scopus 로고
    • Development of the colle-salvetti correlation energy formula into a functional of the electron density
    • Lee, C., Yang, W. & Parr, R. G. Development of the Colle-Salvetti correlation energy formula into a functional of the electron density. Phys. Rev. B 37, 785-789 (1988).
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 36
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-type density functional constructed with a long-range dispersion correction
    • Grimme, S. Semiempirical GGA-type density functional constructed with a long-range dispersion correction. J. Comput. Chem. 27, 1787-1799 (2006).
    • (2006) J. Comput. Chem. , vol.27 , pp. 1787-1799
    • Grimme, S.1
  • 38
    • 32444440762 scopus 로고    scopus 로고
    • A molecular jump mechanism of water reorientation
    • Laage, D. & Hynes, J. T. A molecular jump mechanism of water reorientation. Science 311, 832-835 (2006).
    • (2006) Science , vol.311 , pp. 832-835
    • Laage, D.1    Hynes, J.T.2


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