Viscosity and viscosity anomalies of model silicates and magmas: A numerical investigation

作者: M. Bauchy , B. Guillot , M. Micoulaut , N. Sator

DOI: 10.1016/J.CHEMGEO.2012.08.035

关键词:

摘要: Abstract We present results for transport properties (diffusion and viscosity) using computer simulations. Focus is made on a densified binary sodium disilicate 2SiO 2 –Na O (NS2) liquid multicomponent magmatic liquids (MORB, basalt). In the NS2 liquid, show that certain number of anomalies appear when system densified: diffusivity maxima/minima found network-forming ions (Si,O) which bears some striking similarities with well-known case water or silica, whereas atom displays three distinct regimes diffusion. Some these features can be correlated obtained viscosity anomaly under pressure, latter being fairly well reproduced from simulated diffusion constant. model magmas (MORB liquid), we find plateau followed by continuous increase pressure. Finally, having computed both independently, discuss validity Eyring equation relates viscosity. It shown it considered as valid in melts high On overall, highlight difficulty establishing firm relationship between dynamics, structure thermodynamics complex liquids.

参考文章(109)
James C. M. Li, Pin Chang, Self‐Diffusion Coefficient and Viscosity in Liquids Journal of Chemical Physics. ,vol. 23, pp. 518- 520 ,(1955) , 10.1063/1.1742022
Nobumichi Shimizu, Ikuo Kushiro, The Mobility of Mg, Ca, and Si in Diopside—Jadeite Liquids at High Pressures Advances in Physical Geochemistry. ,vol. 9, pp. 192- 212 ,(1991) , 10.1007/978-1-4612-3128-8_6
Jeffrey R. Errington, Pablo G. Debenedetti, Relationship between structural order and the anomalies of liquid water Nature. ,vol. 409, pp. 318- 321 ,(2001) , 10.1038/35053024
Jürgen Horbach, Walter Kob, Static and dynamic properties of a viscous silica melt Physical Review B. ,vol. 60, pp. 3169- 3181 ,(1999) , 10.1103/PHYSREVB.60.3169
Y. Oishi, R. Terai, H. Ueda, Oxygen Diffusion in Liquid Silicates and Relation to their Viscosity Springer, Boston, MA. pp. 297- 310 ,(1975) , 10.1007/978-1-4684-3150-6_20
David Tinker, Charles E Lesher, Ian D Hutcheon, Self-diffusion of Si and O in diopside-anorthite melt at high pressures Geochimica et Cosmochimica Acta. ,vol. 67, pp. 133- 142 ,(2003) , 10.1016/S0016-7037(02)01039-6
G.A Fernández, J Vrabec, H Hasse, A molecular simulation study of shear and bulk viscosity and thermal conductivity of simple real fluids Fluid Phase Equilibria. ,vol. 221, pp. 157- 163 ,(2004) , 10.1016/J.FLUID.2004.05.011