Abstract
Molecular dynamics simulations are used to determine how a dissolved species alters the transport properties of a silicate melt. To identify the specific factors that affect the transport properties, we examine the effects of generic dissolved species for which the atomic interaction parameters can be systematically varied. We focus on the role of the size and charge of the dissolved species. Our results show that neutral dissolved species have negligible effects on the structure and bonding of the silica network, regardless of the size of the species. These neutral species are decoupled from the network, and can diffuse orders of magnitude faster than the network ions. In contrast, charged species strongly disrupt the silica network, which leads to significant enhancement of the transport properties (e.g., lower viscosity and higher diffusivity of the network ions). The effects of the charged dissolved species are strongly dependent on their size
© 2015 by Walter de Gruyter Berlin/Boston
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Articles in the same Issue
- Review Paper. Microbe-clay mineral interactions
- Chemical substitutions, paragenetic relations, and physical conditions of formation of högbomite in the Sittampundi layered anorthosite complex, South India
- Miguelromeroite, the Mn analogue of sainfeldite, and redefinition of villyaellenite as an ordered intermediate in the sainfeldite-miguelromeroite series
- Mechanism and kinetics of a mineral transformation under hydrothermal conditions: Calaverite to metallic gold
- A statistical reassessment of the evidence for the racemic distribution of quartz enantiomorphs
- On the crystal structure and crystal chemistry of pollucite, (Cs,Na)16Al16Si32O96·nH2O: A natural microporous material of interest in nuclear technology
- The effect of fluid inclusion size on determination of homogenization temperature and density of liquid-rich aqueous inclusions
- Effect of SiO2, total FeO, Fe3+/Fe2+, and alkali elements in basaltic glasses on mid-infrared
- Influence of cation size on the low-temperature heat capacity of alkaline earth metasilicate glasses
- The high-pressure–high-temperature behavior of bassanite
- Geochemistry of reversible hydratable tephra from the Trans Mexican Volcanic Belt
- Physical contradictions and remedies using simple polythermal equations of state
- Thermodynamic and crystallographic properties of kornelite [Fe2(SO4)3·~7.75H2O] and paracoquimbite [Fe2(SO4)3·9H2O]
- Humidity-induced phase transitions of ferric sulfate minerals studied by in situ and ex situ X-ray diffraction
- In situ Raman spectroscopy of MgSiO3 enstatite up to 1550 K
- Optical spectroscopic study of tetrahedrally coordinated Co2+ in natural spinel and staurolite at different temperatures and pressures
- New insights into smectite illitization: A zoned K-bentonite revisited
- The hydrothermal conversion of kaolinite to kalsilite: Influence of time, temperature, and pH
- Sideronatrite, Na2Fe(SO4)2(OH)·3H2O: Crystal structure of the orthorhombic polytype and OD character analysis
- Anharmonic OH vibrations in brucite: Small pressure-induced redshift in the range 0–22 GPa
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- Letter. Crystal structure of argentopyrite, AgFe2S3, and its relationship with cubanite
- Letter. Magnetite-free, yellow lizardite serpentinization of olivine websterite, Canyon Mountain complex, N.E. Oregon
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