Skip to main content
SpringerLink
Log in

Atomistic Simulations of Aqueous Alteration Processes of Mafic Silicates in Carbonaceous Chondrites

  • Conference paper
  • First Online:
Assessment and Mitigation of Asteroid Impact Hazards

Part of the book series: Astrophysics and Space Science Proceedings ((ASSSP,volume 46))

Abstract

There is clear evidence that the parent bodies of some groups of carbonaceous chondrites suffered extensive aqueous alteration. In some pristine chondrites even some minerals can be envisioned to have formed in the protoplanetary disk itself. There is clear evidence that water was available in these materials at early times, and when water alteration occurred element mobilization took place and the primordial chemistry/mineralogy changed. In general, mafic silicates were initially forming chondrules and also matrix fragments, but with time they became transformed into phyllosilicates. With the aim to have atomic-scale in-sights of these water alteration processes, in this chapter we present our first atomistic simulations related to the water alteration of silicates obtained by means of quantum chemical calculations. Results are based on the molecular simulation of the interaction of 12 water molecules with different forsteritic (Mg2SiO4) silicate surfaces of different stability and structural state. Relevant structural information (i.e., significant changes due to water interaction) and vibrational properties, including simulation of the infrared spectra, of the water/silicate interface are shown, and energetic features and thermodynamic trends of the water alteration reactions are provided. Finally, we compare such theoretical calculations with the evidence inferred from the mineralogical interpretation of the formation conditions of carbonaceous chondrites. We conclude that parent body aqueous alteration is the preferred scenario to produce the hydration features observed in these primitive meteorites.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 129.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

References

  • Anders, E., Grevese, N.: Abundances of the elements: meteoritic and solar. Geochim. Cosmochim. Acta 53, 197–214 (1989)

    Article  ADS  Google Scholar 

  • Asaduzzaman, A.M., Laref, S., Deymier, P.A., Runge, K., Cheng, H.-P., Muralidharan, K., Drake, M.J.: A first-principles characterization of water adsorption on forsterite grains. Phil. Trans. R. Soc. A 371, 20110582 (2013)

    Article  ADS  Google Scholar 

  • Beck, T.J., Klust, A., Batzill, M., Diebold, U., Di Valentin, C., Tilocca, A., Selloni, A.: Mixed dissociated/molecular monolayer of water on the TiO2(0 1 1)-(2 × 1) surface. Surf. Sci. Lett. 591, L267–L272 (2005)

    Article  ADS  Google Scholar 

  • Beck, P., Quirico, E., Montes-Hernandez, G., Bonal, L., Bollard, J., Orthous-Daunay, F.-R., Howard, K.T., Schmitt, B., Brissaud, O., Deschamps, F., Wunder, B., Guillot, S.: Hydrous mineralogy of CM and CI chondrites from infrared spectroscopy and their relationship with low albedo asteroids. Geochim. Cosmochim. Acta 74, 4881–4892 (2010)

    Article  ADS  Google Scholar 

  • Becke, A.D.: Density-functional Thermochemistry. III. The role of exact exchange. J. Chem. Phys. 98, 5648–5652 (1993)

    Article  ADS  Google Scholar 

  • Bonal, L., Alexander, C.M.O.’.D., Huss, G.R., Nagashima, K., Quirico, E., Beck, P.: Hydrogen isotopic composition of the water in CR chondrites. Geochim. Cosmochim. Acta 106, 111–133 (2013)

    Article  ADS  Google Scholar 

  • Brearley, A.J.: Origin of graphitic carbon and pentlandite inclusions in matrix olivines in the Allende meteorite. Science 285, 1380–1382 (1999)

    Article  ADS  Google Scholar 

  • Brearley, A.J.: Nebular vs. parent body processing. In: Davis, A.M. (ed.) Meteorites, Comets, and Planets, vol. 1, pp. 247–268. Elsevier–Pergamon, Oxford (2003) (eds.H. D. Holland and K. K. Turekan)

    Google Scholar 

  • Brearley, A.J.: The action of water. In: Lauretta, D.S., McSween Jr., H.Y. (eds.) Meteorites and the Early Solar System II, pp. 584–624. University of Arizona Press, Tucson (2006)

    Google Scholar 

  • Browning, L., Bourcier, W.: Fluid conditions during the alteration of CM chondrites. Meteorit. Planet. Sci. 31, A22 (1996)

    Google Scholar 

  • Bruno, M., Massaro, F.R., Prencipe, M., Demichelis, R., De La Pierre, M., Nestola, F.: Ab Initio calculations of the main crystal surfaces of forsterite (Mg2SiO4): a preliminary study to understand the nature of geochemical processes at the olivine interface. J. Phys. Chem. C 118, 2498–2506 (2014)

    Article  Google Scholar 

  • Chen, J., Li, Y.-F., Sit, P., Selloni, A.: Chemical dynamics of the first proton-coupled electron transfer of water oxidation on TiO2 anatase. J. Am. Chem. Soc. 135, 18774–18777 (2013)

    Article  Google Scholar 

  • Cheng, J., Sprik, M.: Acidity of the aqueous rutile TiO2 (110) surface from density functional theory based molecular dynamics. J. Chem. Theory Comput. 6, 880–889 (2010)

    Article  Google Scholar 

  • Chizmadia L.J., Brearley A.J.: Aqueous alteration of carbonaceous chondrites: New insights from comparative studies of two unbrecciated CM2 chondrites: Y-791198 and ALH81002. Lunar Planet. Sci. 35, abstract#1753. Lunar and Planetary Institute, Houston (2004)

    Google Scholar 

  • Chopelas, A.: Single crystal Raman spectra of forsterite, fayalite, and monticellite. Am. Mineral. 76, 1101–1109 (1991)

    Google Scholar 

  • Ciesla, F., Lauretta, D.: Radial migration and dehydration of phyllosilicates in the solar nebula. Earth Planet. Sci. Lett. 231, 1–8 (2005)

    Article  ADS  Google Scholar 

  • Ciesla, F.J., Lauretta, D.S., Cohen, B.A., Hood, L.L.: A nebular origin for chondritic fine-grained phyllosilicates. Science 299, 549–552 (2003)

    Article  ADS  Google Scholar 

  • Civalleri, B., Zicovich-Wilson, C.M., Valenzano, L., Ugliengo, P.: B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals. CrystEngComm 10, 405–410 (2008)

    Article  Google Scholar 

  • de Leeuw, N.H., Parker, S.C., Catlow, C.R.A., Price, G.D.: Modelling the effect of water on the surface structure and stability of forsterite. Phys. Chem. Miner. 27, 332–341 (2000)

    Article  ADS  Google Scholar 

  • Dovesi, R., Orlando, R., Erba, A., Zicovich-Wilson, C.M., Civalleri, B., Casassa, S., Maschio, L., Ferrabone, M., De La Pierre, M., D’Arco, P., Noël, Y., Causà, M., Rérat, M., Kirtman, B.: CRYSTAL14: A program for the ab initio investigation of crystalline solids. Int. J. Quantum Chem. 114, 1287–1317 (2014)

    Article  Google Scholar 

  • Endreβ, M., Bischoff, A.: Carbonates in CI chondrites: clues to parent body evolution. Geochim. Cosmochim. Acta 60, 489–507 (1996)

    Article  ADS  Google Scholar 

  • Escamilla-Roa, E., Moreno, F.: Adsorption of glycine on cometary dust grains:II—effect of amorphous water ice. Planet. Space Sci. 75, 1–10 (2013)

    Article  ADS  Google Scholar 

  • Escamilla-Roa, E., Sainz-Díaz, C.I.: Amorphous ammonia–water ice deposited onto silicate grain: effect on growth of mantles ice on interstellar and interplanetary dust. J. Phys. Chem. C 118, 26080–26090 (2014)

    Article  Google Scholar 

  • Fujiya, W., Sugiura, N., Sano, Y., Hiyagon, H.: Mn-Cr ages of dolomites in CI chondrites and the Tagish Lake ungrouped carbonaceous chondrite. Earth Planet. Sci. Lett. 362, 130–142 (2013)

    Article  ADS  Google Scholar 

  • Grimme, S.: Semiempirical GGA-type density functional constructed with a long-range dispersion correction. J. Comput. Chem. 27, 1787–1799 (2006)

    Article  Google Scholar 

  • Hanowski, N.P., Brearley, A.J.: Chondrule serpentines as indicators of aqueous alteration in CM carbonaceous chondrites (abstract). Lunar Planet. Sci. 28, 501–502 (1997)

    ADS  Google Scholar 

  • Hanowski, N.P., Brearley, A.J.: Iron-rich aureoles in the CM carbonaceous chondrites Murray, Murchison, and Allan Hills 81002: Evidence for in situ aqueous alteration. Meteorit. Planet. Sci. 35, 1291–1308 (2000)

    Article  ADS  Google Scholar 

  • Hanowski, N.P., Brearley, A.J.: Aqueous alteration of chondrules in the CM carbonaceous chondrite, Allan Hills 81002: Implications for parent body alteration. Geochim. Cosmochim. Acta 65, 495–518 (2001)

    Article  ADS  Google Scholar 

  • Harju, E.R., Rubin, A.E., Ahn, I., Choi, B.-G., Ziegler, K., Wasson, J.T.: Progressive aqueous alteration of CR carbonaceous chondrites. Geochim. Cosmochim. Acta 139, 267–292 (2014)

    Article  ADS  Google Scholar 

  • Hazen, R.M.: Effects of temperature and pressure on crystal-structure of forsterite. Am. Mineral. 61, 1280–1293 (1976)

    Google Scholar 

  • He, Y., Tilocca, A., Dulub, O., Selloni, A., Diebold, U.: Local ordering and electronic signatures of submonolayer water on anatase TiO2(101). Nat. Mater. 8, 585–589 (2009)

    Article  ADS  Google Scholar 

  • Hofmeister, A.: Single-crystal absorption and reflection infrared spectroscopy of forsterite and fayalite. Phys. Chem. Miner. 14, 499–513 (1987)

    Article  ADS  Google Scholar 

  • Hua, X., Wang, J., Buseck, P.R.: Fine-grained rims in the Allan Hills 81002 and Lewis Cliff 90500 CM2 meteorites: their origin and modification. Meteorit. Planet. Sci. 37, 229–244 (2002)

    Article  ADS  Google Scholar 

  • Iishi, K.: Lattice dynamics of forsterite. Am. Mineral. 63, 1198–1208 (1978)

    Google Scholar 

  • Kavathekar, R.S., Dev, P., English, N.J., MacElroy, J.M.D.: Molecular dynamics study of water in contact with the TiO2 rutile-110, 100, 101, 001 and anatase-101, 001 surface. Mol. Phys. 13, 1649–1656 (2011)

    Article  ADS  Google Scholar 

  • Kerisit, S.: Water structure at hematite–water interfaces. Geochim. Cosmochim. Acta 75, 2043–2061 (2011)

    Article  ADS  Google Scholar 

  • Kerisit, S., Parker, S.C.: Free energy of adsorption of water and metal ions on the {1014} calcite surface. J. Am. Chem. Soc. 126, 10152–10161 (2004)

    Article  Google Scholar 

  • Kerisit, S., Liu, C., Ilton, E.S.: Molecular dynamics simulations of the orthoclase (001)- and (010)-water interfaces. Geochim. Cosmochim. Acta 72, 1481–1497 (2008)

    Article  ADS  Google Scholar 

  • Kolesov, B.A., Geiger, C.A.: A Raman spectroscopic study of Fe–Mg olivines. Phys. Chem. Miner. 31, 142–154 (2004)

    Article  ADS  Google Scholar 

  • Koparde, V.N., Cummings, P.T.: Molecular dynamics study of water adsorption on TiO2 nanoparticles. J. Phys. Chem. C 111, 6920–6926 (2007)

    Article  Google Scholar 

  • Kornherr, A., Vogtenhuber, D., Ruckenbauer, M., Podloucky, R., Zifferer, G.: Multilayer adsorption of water at a rutile TiO2 (110) surface: towards a realistic modeling by molecular dynamics. J. Chem. Phys. 121, 3722–3726 (2004)

    Article  ADS  Google Scholar 

  • Krot, A.N., Petaev, M.I., Scott, E.R.D., Choi, B.-G., Zolensky, M.E., Keil, K.: Progressive alteration in CV3 chondrites: more evidence for asteroidal alteration. Meteorit. Planet. Sci. 33, 1065–1085 (1998)

    Article  ADS  Google Scholar 

  • Langel, W.: Car–Parrinello simulation of H2O dissociation on rutile. Surf. Sci. 496, 141–150 (2002)

    Article  ADS  Google Scholar 

  • Le Guillou, C., Changela, H.G., Brearley, A.J.: Widespread oxidized and hydrated amorphous silicates in CR chondrites matrices: implications for alteration conditions and H2 degassing of asteroids. Earth Planet. Sci. Lett. 420, 162–173 (2015)

    Article  ADS  Google Scholar 

  • 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)

    Article  ADS  Google Scholar 

  • Lindan, P.J.D., Harrison, N.M., Holender, J.M., Gillan, M.J.: First-principles molecular dynamics simulation of water dissociation on TiO2 (110). Chem. Phys. Lett. 261, 246–252 (1996)

    Article  ADS  Google Scholar 

  • Lindan, P.J.D., Harrison, N.M., Gillan, M.J.: Mixed dissociative and molecular adsorption of water on the rutile (110) surface. Phys. Rev. Lett. 80, 762 (1998)

    Article  ADS  Google Scholar 

  • Liu, L.-M., Zhang, C., Thornton, G., Michaelides, A.: Structure and dynamics of liquid water on rutile TiO2(110). Phys. Rev. B 82, 161415 (2010)

    Article  ADS  Google Scholar 

  • Lodders, K.: Solar system abundances and condensation temperatures of the elements. Astrophys. J. 591, 1220–1247 (2003)

    Article  ADS  Google Scholar 

  • Marry, V., Rotenberg, B., Turqab, P.: Structure and dynamics of water at a clay surface from molecular dynamics simulation. Phys. Chem. Chem. Phys. 10, 4802–4813 (2008)

    Article  Google Scholar 

  • Mattioli, G., Filippone, F., Caminiti, R., Bonapasta, A.A.: Short hydrogen bonds at the water/TiO2 (anatase) interface. J. Phys. Chem. C 112, 13579–13586 (2008)

    Article  Google Scholar 

  • Mignon, P., Ugliengo, P., Sodupe, M., Hernandez, E.R.: Ab initio molecular dynamics study of the hydration of Li+, Na+ and K+ in a montmorillonite model. Influence of isomorphic substitution. Phys. Chem. Chem. Phys. 12, 688–697 (2010)

    Article  Google Scholar 

  • Morita, A., Hynes, J.T.: A theoretical analysis of the sum frequency generation spectrum of the water surface. Chem. Phys. 258, 371–390 (2000)

    Article  ADS  Google Scholar 

  • Musso, F., Mignon, P., Ugliengo, P., Sodupe, M.: Cooperative effects at water–crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics study. Phys. Chem. Chem. Phys. 14, 10507–10514 (2012)

    Article  Google Scholar 

  • Navarro-Ruiz, J., Sodupe, M., Ugliengo, P., Rimola, A.: Interstellar H adsorption and H2 formation on the crystalline (010) forsterite surface: a B3LYP-D2* periodic study. Phys. Chem. Chem. Phys. 16, 17447–17457 (2014a)

    Article  Google Scholar 

  • Navarro-Ruiz, J., Ugliengo, P., Rimola, A., Sodupe, M.: B3LYP periodic study of the physicochemical properties of the Nonpolar (010) Mg-Pure and Fe-containing olivine surfaces. J. Phys. Chem. A 118, 5866–5875 (2014b)

    Google Scholar 

  • Navarro-Ruiz, J., Martínez-González, J.A., Sodupe, M., Ugliengo, P., Rimola, A.: Relevance of silicate surface morphology in interstellar H2 formation. Insights from quantum chemical calculations. Mon. Not. R. Astron. Soc. 453, 914–924 (2015)

    Article  ADS  Google Scholar 

  • Pascale, F., Zicovich-Wilson, C.M., López Gejo, F., Civalleri, B., Orlando, R., Dovesi, R.: The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code. J. Comput. Chem. 25, 888–897 (2004)

    Article  Google Scholar 

  • Philpott, M.R., Goliney, I.Y., Lin, T.T.: Molecular dynamics simulation of water in a contact with an iron pyrite FeS2 surface. J. Chem. Phys. 120, 1943–1950 (2004)

    Article  ADS  Google Scholar 

  • Prigiobbe, V., Suarez Negreira, A., Wilcox, J.: Interaction between olivine and water based on density functional theory calculations. J. Phys. Chem. C 117, 21203–21216 (2013)

    Article  Google Scholar 

  • Reynard, B.: Single-crystal infrared reflectivity of Pure Mg2SiO2 forsterite and (Mg0.86, Fe0.14)2SiO4 olivine. Phys. Chem. Miner. 18, 19–25 (1991)

    Article  ADS  Google Scholar 

  • Robert, F.: The D/H ratio in chondrites. Space Sci. Rev. 106, 87–101 (2003)

    Article  ADS  Google Scholar 

  • Rubin, A.E.: Mineralogy of meteorite groups. Meteorit. Planet. Sci. 32, 231–247 (1997)

    Article  ADS  Google Scholar 

  • Rubin, A.E., Trigo-Rodríguez, J.M., Huber, H., Wasson, J.T.: Progressive aqueous alteration of CM carbonaceous chondrites. Geochim. Cosmochim. Acta 71, 2361–2382 (2007)

    Article  ADS  Google Scholar 

  • Rustad, J.R., Felmy, A.R., Bylaska, E.J.: Molecular simulation of the magnetite-water interface. Geochim. Cosmochim. Acta 67, 1001–1016 (2003)

    Article  ADS  Google Scholar 

  • Sebbari, K., Domain, C., Roques, J., Perron, H., Simoni, E., Catalette, H.: Investigation of hydrogen bonds and temperature effects on the water monolayer adsorption on rutile TiO2 (110) by first-principles molecular dynamics simulations. Surf. Sci. 605, 1275–1280 (2011)

    Article  ADS  Google Scholar 

  • Servoin, J.L., Piriou, B.: Infrared reflectivity and Raman scattering of Mg2SiO4 single crystal. Phys. Status Solid. B 55, 677–686 (1973)

    Article  ADS  Google Scholar 

  • Stack, A.G.: Molecular dynamics simulations of solvation and kink site formation at the {001} barite-water interface. J. Phys. Chem. C 113, 2104–2110 (2009)

    Article  Google Scholar 

  • Stirling, A., Bernasconi, M., Parrinello, M.: Ab initio simulation of water interaction with the (100) surface of pyrite. J. Chem. Phys. 118, 8917–8926 (2003)

    Article  ADS  Google Scholar 

  • Sumita, M., Hu, C., Tateyama, Y.: Interface water on TiO2 anatase (101) and (001) surfaces: first-principles study with TiO2 slabs dipped in bulk water. J. Phys. Chem. C 114, 18529–18537 (2010)

    Article  Google Scholar 

  • Suto, H., Sogawa, H., Tachibana, S., Koike, C., Karoji, H., Tsuchiyama, A., Chihara, H., Mizutani, K., Akedo, J., Ogiso, K., Fukui, T., Ohara, S.: Low-temperature single crystal reflection spectra of forsterite. Mon. Not. R. Astron. Soc. 370, 1599–1606 (2006)

    Article  ADS  Google Scholar 

  • Takir, D., Emery, J.P., McSween, H.Y., Hibbits, C.A., Clark, R.N., Pearson, N., Wang, A.: Nature and degree of aqueous alteration in CM and CI carbonaceous chondrites. Meteor. Planet. Sci. 48, 1618–1637 (2013)

    ADS  Google Scholar 

  • Tilocca, A., Cormack, A.N.: Modeling the water-bioglass interface by ab initio molecular dynamics simulations. ACS Appl. Mater. Interfaces 1, 1324–1333 (2009)

    Article  Google Scholar 

  • Tilocca, A., Selloni, A.: Reaction pathway and free energy barrier for defect-induced water dissociation on the (101) surface of TiO2-anatase. J. Chem. Phys. 119, 7445–7450 (2003)

    Article  ADS  Google Scholar 

  • Tomeoka, K., Buseck, P.: Matrix mineralogy of the Orgueil CI carbonaceous chondrite. Geochim. Cosmochim. Acta 52, 1627–1640 (1988)

    Article  ADS  Google Scholar 

  • Tomeoka, K., Buseck, P.R.: Phyllosilicates in the Mokoia CV carbonaceous chondrite: evidence for aqueous alteration in an oxidizing condition. Geochim. Cosmochim. Acta 54, 1787–1796 (1990)

    Google Scholar 

  • Townsend, R.M., Jan, G., Stuart, A.R.: Structure of the liquid vapor interface of water. J. Chem. Phys. 82, 4391–4392 (1985)

    Article  ADS  Google Scholar 

  • Trigo-Rodríguez, J.M.: Aqueous alteration in chondritic asteroids and comets from the study of carbonaceous chondrites. In: Lee, M.R., Leroux, H. (eds.) Planetary mineralogy. EMU notes in mineralogy, vol. 15, pp. 67–87. European Mineralogical Union and the Mineralogical Society, London (2015)

    Google Scholar 

  • Trigo-Rodríguez, J.M., Blum, J.: The effect of aqueous alteration and metamorphism in the survival of presolar silicate grains in chondrites. Publ. Astron. Soc. Aust. 26, 289–296 (2009a)

    Article  ADS  Google Scholar 

  • Trigo-Rodríguez, J.M., Blum, J.: Tensile strength as an indicator of the degree of primitiveness of undifferentiated bodies. Planet. Space Sci. 57, 243–249 (2009b)

    Article  ADS  Google Scholar 

  • Trigo-Rodríguez, J.M., Moyano-Cambero, C.E., Mestres, N., Fraxedas, J., Zolensky, M.E., Nakamura, T., Martins, Z.: Evidence for Extended Aqueous Alteration in CR Carbonaceous Chondrites. 44th LPSC, The Woodlands, Texas. LPI Contribution No. 1719, p. 1929 (2013)

    Google Scholar 

  • Trigo-Rodriguez, J.M., Alonso-Azcárate, J., Abad, M.M., Lee, M.R.: Ultra High Resolution Transmission Electron Microscopy of Matrix Mineral Grains in CM Chondrites: Preaccretionary or Parent Body Aqueous Processing? 46th LPSC, The Woodlands, Texas. LPI Contribution No. 1832, p. 1198 (2015)

    Google Scholar 

  • Trigo-Rodríguez, J.M., Rubin, A.E., Wasson, J.T.: Non-nebular origin of dark mantles around chondrules and inclusions in CM chondrites. Geochim. Cosmochim. Acta 70, 1271–1290 (2006)

    Article  ADS  Google Scholar 

  • Walker, D.S., Richmond, G.L.: Interfacial depth profiling of the orientation and bonding of water molecules across liquid-liquid interfaces. J. Phys. Chem. C 112, 201–209 (2008)

    Article  Google Scholar 

  • Wang, J., Kalinichev, A.G., Kirkpatrick, R.J.: Effects of substrate structure and composition on the structure, dynamics, and energetics of water at mineral surfaces: a molecular dynamics modeling study. Geochim. Cosmochim. Acta 70, 562–582 (2006)

    Article  ADS  Google Scholar 

  • Watson, G.W., Oliver, P.M., Parker, S.C.: Computer simulation of the structure and stability of forsterite surfaces. Phys. Chem. Miner. 25, 70–78 (1997)

    Article  ADS  Google Scholar 

  • Weisberg, M.K., McCoy, T.J., Krot, A.N.: Systematic and evaluation of meteorite classification. In: Lauretta, D.S., McSween, H.Y. (eds.) Meteorites and the Early Solar System II, pp. 19–52. The University of Arizona Press, Tucson (2006)

    Google Scholar 

  • Wolthers, M., Tommaso, D.D., Dub, Z., de Leeuw, N.H.: Calcite surface structure and reactivity: molecular dynamics simulations and macroscopic surface modelling of the calcite–water interface. Phys. Chem. Chem. Phys. 14, 15145–15157 (2012)

    Article  Google Scholar 

  • Zhang, C., Lindan, P.J.D.: Multilayer water adsorption on rutile TiO2(110): a first-principles study. J. Chem. Phys. 118, 4620–4630 (2003)

    Article  ADS  Google Scholar 

  • Zhang, W., Yang, J., Luo, Y., Monti, S., Carravetta, V.: Quantum molecular dynamics study of water on TiO2 (110) surface. J. Chem. Phys. 129, 064703 (2008)

    Article  ADS  Google Scholar 

  • Zolensky, M., Barret, R., Browing, L.: Mineralogy and composition of matrix chondrule rims in carbonaceous chondrites. Geochim. Cosmochim. Acta 57, 3123–3148 (1993)

    Google Scholar 

  • Zolensky, M.E., McSween Jr., H.: Aqueous alteration. In: Kerridge, J.F., Matthews, M.S. (eds.) Meteorites and the Early Solar System, pp. 114–143. The University of Arizona Press, Tucson (1988)

    Google Scholar 

  • Zolensky, M.E., Mittlefehldt, D.W., Lipschutz, M.E., Wang, M.-S., Clayton, R.N., Mayeda, T.K., Grady, M.M., Pillinger, C., Barber, D.: CM chondrites exhibit the complete petrologic range from type 2 to 1. Geochim. Cosmochim. Acta 61, 5099–5115 (1997)

    Article  ADS  Google Scholar 

Download references

Acknowledgments

Financial support from MICINN (projects CTQ2015-62635-ERC and CTQ2014-60119-P) and DIUE (project 2014SGR482) is gratefully acknowledged. JMTR also acknowledges MICINN project AYA 2015-67175-P. A.R. is indebted to Programa Banco de San-tander for a UAB distinguished postdoctoral research contract. A.R. kindly acknowledges BSC-MN for the generous allowance of computing time through the ‘QCM-2013–2–0006: Formation of Molecu-lar Hydrogen on Surfaces of Cosmic Dust’, ‘QCM-2013–3–0015: Adsorption of Atomic Hydrogen on Defective Non-Stoichiometric Surfaces of Cosmic Dust’ and ‘QCM-2014–3–0032: Quantum Effects in the Diffusion of Atomic Hydrogen on Interstellar Silicate Surfaces’ projects.

Author information

Authors and Affiliations

  1. Departament de Química, Universitat Autònoma de Barcelona, Bellaterra, 08193, Spain

    A. Rimola

  2. Institute of Space Sciences (IEEC-CSIC), Meteorites, Minor Bodies and Planetary Sciences Group, Campus UAB Bellaterra, Carrer de Can Magrans, s/n, Cerdanyola del Vallès, Barcelona, 08193, Spain

    Josep M. Trigo-Rodríguez

Authors
  1. A. Rimola
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Josep M. Trigo-Rodríguez
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to A. Rimola .

Editor information

Editors and Affiliations

  1. Campus UAB, 2a planta, Institute of Space Sciences, Bellaterra Barcelona, Spain

    Josep M. Trigo-Rodríguez

  2. Department of Physics, University of Helsinki, Helsinki, Finland

    Maria Gritsevich

  3. Sektion Meteoritenforschung, Senckenberg, Naturmuseum und Forschungsinstitut, Frankfurt, Germany

    Herbert Palme

Rights and permissions

Reprints and permissions

Copyright information

© 2017 Springer International Publishing Switzerland

About this paper

Cite this paper

Rimola, A., Trigo-Rodríguez, J.M. (2017). Atomistic Simulations of Aqueous Alteration Processes of Mafic Silicates in Carbonaceous Chondrites. In: Trigo-Rodríguez, J., Gritsevich, M., Palme, H. (eds) Assessment and Mitigation of Asteroid Impact Hazards. Astrophysics and Space Science Proceedings, vol 46. Springer, Cham. https://doi.org/10.1007/978-3-319-46179-3_6

Download citation

Publish with us

Policies and ethics

Search

Navigation