Monte Carlo Simulations of the Formation and Morphology of Interstellar Ices

  • Stéphanie CazauxEmail author
  • Jean Baptiste Bossa
  • Rafael Martin-Doménech
  • Guillermo M. Muñoz Caro
  • Yu-Jung Chen
  • Harold Linnartz
  • Alexander Tielens
Part of the Astrophysics and Space Science Library book series (ASSL, volume 451)


The porosity present in ices contains many clues on the conditions of their formation and evolution, as well as their trapping capacities. Laboratory experiments studying such porosity are essential to better understand interstellar ices. In this work, we present recent theoretical results on water and CO ices that aim at reproducing laboratory experiments. We use Monte Carlo methods in order to describe the fate of each molecule present in the ices, which is determined by the different processes that molecules can experience, such as accretion, diffusion and evaporation. For water ices, we show that porosity depends on the conditions of deposition, and that with increasing temperature, small pores connect and merge, allowing trapped molecules to meet and react within the pores network and thus increasing the efficiency of the reaction. For CO ices, we show that deposition conditions can also give different types of CO ices, with many weakly bound CO molecules as the deposition occurs at very low temperatures. The presence of weakly bound CO molecules could explain the far less important freeze out seen in pre-stellar cores, compared to what is commonly expected.


  1. Acharyya, K., Fuchs, G.W., Fraser, H.J., van Dishoeck, E.F., Linnartz, H.: Astron. Astrophys. 466, 1005 (2007)ADSCrossRefGoogle Scholar
  2. Bacmann, A., Lefloch, B., Ceccarelli, C., et al.: Astron. Astrophys. 389, L6 (2002)ADSCrossRefGoogle Scholar
  3. Bergin, E.A., Alves, J., Huard, T., Lada, C.J.: Astrophys. J. Lett. 570, L101 (2002)ADSCrossRefGoogle Scholar
  4. Boogert, A.C.A., Pontoppidan, K.M., Knez, C., et al.: Astrophys. J. 678, 985 (2008)ADSCrossRefGoogle Scholar
  5. Bossa, J.-B., Isokoski, K., Paardekooper, D.M., et al.: Astron. Astrophys. 561, A136 (2014a)CrossRefGoogle Scholar
  6. Bossa, J.-B., Isokoski, K., de Valois, M.S., Linnartz, H.: Astron. Astrophys. 545, A82 (2014b)CrossRefGoogle Scholar
  7. Bossa, J.-B., Mate, B., Fransen, C., et al.: Astrophys. J. 814, 47 (2015)ADSCrossRefGoogle Scholar
  8. Brill, R., Tippe, A.: Acta Crystallogr. 23, 343 (1967)CrossRefGoogle Scholar
  9. Brovchenko, I., Oleinikova, A.: J. Chem. Phys. 124, 164505 (2006)ADSCrossRefGoogle Scholar
  10. Brown, D.E., George, S.M., Huang, C., et al.: J. Phys. Chem. 100, 4988 (1996)ADSCrossRefGoogle Scholar
  11. Caselli, P., Walmsley, C.M., Tafalla, M., Dore, L., Myers, P.C.: Astrophys. J. Lett. 523, L165 (1999)ADSCrossRefGoogle Scholar
  12. Cazaux, S., Tielens, A.G.G.M., Ceccarelli, C., et al.: Astrophys. J. 593, L51 (2003)ADSCrossRefGoogle Scholar
  13. Cazaux, S., Bossa, J.-B., Linnartz, H., Tielens, A.G.G.M.: Astron. Astrophys. 573, A16 (2015)CrossRefGoogle Scholar
  14. Cazaux, S., Martìn-Doménech, R., Chen, A., Muñoz Caro, G.: prep. Astrophys. J. 849, 80 (2017) Google Scholar
  15. Ceccarelli, C., et al.: Protostars and planets V. In: Reipurth, B. (eds.), p.47, Univ. of Arizona Press (2007)Google Scholar
  16. Chen, Y.-J., Chuang, K.-J., Muñoz Caro, G.M., et al.: Astrophys. J. 781, 15 (2014)ADSCrossRefGoogle Scholar
  17. Collings, M.P., Dever, J.W., Fraser, H.J., McCoustra, M.R.S., Williams, D.A.: Astrophys. J. 583, 1058 (2003)ADSCrossRefGoogle Scholar
  18. Cuppen, H.M., Herbst, E.: Astrophys. J. 668, 294 (2007)ADSCrossRefGoogle Scholar
  19. Dartois, E., Ding, J.J., de Barros, A.L.F., et al.: Astron. Astrophys. 557, A97 (2013)CrossRefGoogle Scholar
  20. Dohnàlek, Z., Kimmel, G.A., Ayotte, P., Smith, R.S., Kay, B.D.: J. Chem. Phys. 118, 364 (2003)ADSCrossRefGoogle Scholar
  21. Fayolle, E.C., Balfe, J., Loomis, R., et al.: Astrophys. J. Lett. 816, L28 (2016)ADSCrossRefGoogle Scholar
  22. Fedoseev, G., Cuppen, H.M., Ioppolo, S., Lamberts, T., Linnartz, H.: Mon. Not. R. Astron. Soc. 448, 1288 (2015)ADSCrossRefGoogle Scholar
  23. Garrod, R.T., Herbst, E.: Astron. Astrophys. 457, 927 (2006)ADSCrossRefGoogle Scholar
  24. Gibb, E.L., Whittet, D.C.B., Boogert, A.C.A., Tielens, A.G.G.M.: Astrophys. J. Suppl. Ser. 151, 35 (2004)ADSCrossRefGoogle Scholar
  25. Huš, M., Urbic, T.: J. Chem. Phys. 136, 144305 (2012)ADSCrossRefGoogle Scholar
  26. Isaacs, E.D., Shukla, A., Platzman, P.M., et al.: Phys. Rev. Lett. 82, 600 (1999)ADSCrossRefGoogle Scholar
  27. Isokoski, K., Bossa, J.-B., Triemstra, T., Linnartz, H.: Phys. Chem. Chem. Phys. 16, 3456 (2014a)CrossRefGoogle Scholar
  28. Isokoski, K., Bossa, J.-B., Triemstra, T., Linnartz, H.: Phys. Chem. Chem. Phys. 16, 3456 (2014b)CrossRefGoogle Scholar
  29. Jørgensen, et al.: Astron. Astrophys. 579, A23 (2015)CrossRefGoogle Scholar
  30. Karssemeijer, L.J., Cuppen, H.M.: Astron. Astrophys. 569, A107 (2014)ADSCrossRefGoogle Scholar
  31. Karssemeijer, L.J., Ioppolo, S., van Hemert, M.C., et al.: Astrophys. J. 781, 16 (2014)ADSCrossRefGoogle Scholar
  32. Keane, J.V., Tielens, A.G.G.M., Boogert, A.C.A., Schutte, W.A., Whittet, D.C.B.: Astron. Astrophys. 376, 254 (2001)ADSCrossRefGoogle Scholar
  33. Keto, Caselli, P.: Mon. Not. R. Astron. Soc. 402, 1625 (2010)ADSCrossRefGoogle Scholar
  34. Lauck, T., Karssemeijer, L., Shulenberger, K., et al.: Astrophys. J. 801, 118 (2015)ADSCrossRefGoogle Scholar
  35. Maté, B., Rodríguez-Lazcano, Y., Herrero, V.J.: Phys. Chem. Chem. Phys. 14, 10595 (2012a)CrossRefGoogle Scholar
  36. Maté, B., Rodríguez-Lazcano, Y., Herrero, V.J.: Phys. Chem. Chem. Phys. 14, 10595 (2012b)CrossRefGoogle Scholar
  37. Mispelaer, F., Theule, P., Aouididi, H., et al.: Astron. Astrophys. 555, A13 (2013)CrossRefGoogle Scholar
  38. Mitterdorfer, C., Bauer, M., Youngs, T.G.A., et al.: Phys. Chem. Chem. Phys. 16, 16013 (2014)CrossRefGoogle Scholar
  39. Muñoz Caro, G.M., Jiménez-Escobar, A., Martìn-Gago, J.A., et al.: Astron. Astrophys. 522, A108 (2010)CrossRefGoogle Scholar
  40. Noble, J.A., Dulieu, F., Congiu, E., Fraser, H.J.: Astrophys. J. 735, 121 (2011)ADSCrossRefGoogle Scholar
  41. Öberg, K.I., Garrod, R.T., van Dishoeck, E.F., Linnartz, H.: Astron. Astrophys. 504, 891 (2009)ADSCrossRefGoogle Scholar
  42. Ormel, C.W., Spaans, M., Tielens, A.G.G.M.: Astron. Astrophys. 461, 215 (2007)ADSCrossRefGoogle Scholar
  43. Palumbo, M.E.: Astron. Astrophys. 453, 903 (2006)ADSCrossRefGoogle Scholar
  44. Palumbo, M.E., Baratta, G.A., Leto, G., Strazzulla, G.: J. Mol. Struct. 972, 64 (2010)ADSCrossRefGoogle Scholar
  45. Pilling, S., Andrade, D.P.P., Neto, A.C., Rittner, R., de Brito, A.N.: J. Phys. Chem. A. 113, 11161 (2009)CrossRefGoogle Scholar
  46. Pontoppidan, K.M.: Astron. Astrophys. 453, L47 (2006)ADSCrossRefGoogle Scholar
  47. Pontoppidan, K.M., van Dishoeck, E.F., Dartois, E.: Astron. Astrophys. 426, 925 (2004)ADSCrossRefGoogle Scholar
  48. Raut, U., Teolis, B.D., Loeffler, M.J., et al.: J. Chem. Phys. 126, 244511 (2007a)ADSCrossRefGoogle Scholar
  49. Raut, U., Famà, M., Teolis, B.D., Baragiola, R.A.: J. Chem. Phys. 127, 204713 (2007b)ADSCrossRefGoogle Scholar
  50. Schoïer, F.L., Jørgensen, J.K., van Dishoeck, E.F., Blake, G.A.: Astron. Astrophys. 390, 1001 (2002)ADSCrossRefGoogle Scholar
  51. Tafalla, M., Myers, P.C., Caselli, P., Walmsley, C.M.: Astrophys. Space Sci. 292, 347 (2004)ADSCrossRefGoogle Scholar
  52. Tafalla, M., Kumar, M.S.N., Bachiller, R.: Astron. Astrophys. 456, 179 (2006)ADSCrossRefGoogle Scholar
  53. Theulé, P., Duvernay, F., Danger, G., et al.: Adv. Space Res. 52, 1567 (2013)ADSCrossRefGoogle Scholar
  54. Tielens, A.G.G.M., Allamandola, L.J.: NATO ASIC Proc. 210: Physical Processes in Interstellar Clouds. Morfill, G.E., Scholer, M. (eds.), pp. 333–376. (1987)Google Scholar
  55. Whittet, D.C.B., Gerakines, P.A., Tielens, A.G.G.M., et al.: Astrophys. J. 498, L159 (1998)ADSCrossRefGoogle Scholar
  56. Whittet, D.C.B., Gerakines, P.A., Hough, J.H., Shenoy, S.S.: Astrophys. J. 547, 872 (2001)ADSCrossRefGoogle Scholar
  57. Williams, D.A., Hartquist, T.W., Whittet, D.C.B.: Mon. Not. R. Astron. Soc. 258, 599 (1992)ADSCrossRefGoogle Scholar
  58. Zondlo, M.A., Onasch, T.B., Waeshawsky, M.S., Tolbert, M.A., Mallick, G., Arenz, P., Robinson, M.S.: J. Phys. Chem. B. 101, 10887 (1997)CrossRefGoogle Scholar

Copyright information

© Springer International Publishing AG, part of Springer Nature 2018

Authors and Affiliations

  • Stéphanie Cazaux
    • 1
    Email author
  • Jean Baptiste Bossa
    • 2
  • Rafael Martin-Doménech
    • 3
  • Guillermo M. Muñoz Caro
    • 4
  • Yu-Jung Chen
    • 5
  • Harold Linnartz
    • 2
  • Alexander Tielens
    • 2
  1. 1.Kapteyn Astronomical InstituteGroningenThe Netherlands
  2. 2.Leiden ObservatoryUniversity of LeidenLeidenNetherlands
  3. 3.Harvard-Smithsonian Center for AstrophysicsCambridgeUSA
  4. 4.Centro de Astrobiología, INTA-CSICMadridSpain
  5. 5.Department of PhysicsNational Central UniversityTaoyuanTaiwan

Personalised recommendations