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Theoretical studies on aluminate and sodium aluminate species in models for aqueous solution: Al(OH)3, Al(OH)4-, and NaAl(OH)4
Theoretical studies aluminate sodium aluminate species models aqueous solution Al(OH)3 Al(OH)4 NaAl(OH)4
2012/4/1
Ab initio quantum mechanical calculations were performed on Al(OH) , Al(OH) , NaAl(OH)and related species with varying numbers of explicit water molecules to elucidate the structural,spectral and ener...
New insights into organic-mineral particles: composition, properties and models of molecular structure
Analytical pyrolysis Computational chemistry Molecular modelling Soil organic-mineral particles Xenobiotic complexes
2011/11/8
Organic-mineral soil particles are formed and altered as a result of pedogenic processes and anthropogenic impacts on soils. They can be isolated from
bulk soil samples by physical disaggregation fol...
Molecular cluster models of aluminum oxide and aluminum hydroxide surfaces
Molecular cluster models aluminum oxide aluminum hydroxide surfaces
2012/4/1
Ab initio, molecular orbital calculations for two different Hartree-Fock basis levels were performed on clusters in the system Al-O-H, and tested by comparing derived vibrational frequencies to the me...
The influence of heating rate on the kinetics of mineral reactions: An experimental study and computer models
heating rate mineral reactions experimental study computer models
2012/3/31
Startling results were obtained in kinetic experiments that varied the initial heating history of the mineral reaction: 1 dolomite 1 2 quartz → 1 diopside 1 2CO2. The exper-iments were carried out at ...
A Critique of Diffuse Double Layer Models Applied to Colloid and Surface Chemistry
Clay Dispersion Clay Swelling Diffuse Double Layer DLVO Electrostatic Attraction Theory Interparticle Forces Ockham's Razor Schiller Layers Smectites
2011/12/22
Abstract: The use of Derjaguin-Landau-Verwey-Overbeek (DLVO) theory in colloid science has continued to the present day in spite of the inability of this theory to explain, even qualitatively, numerou...
Comparison of Structural Models of Mixed-Layer Illite/Smectite and Reaction Mechanisms of Smectite Illitization
Illite Illite/Smectite Mixed-Layer Reaction Mechanism Smectite
2011/12/22
Abstract: This paper compares mechanisms of the reaction of smectite to illite, in light of structural models for interstratified illite/smectite (I/S). The crystal structure of I/S has been described...
Volumes of K-Na mixing for low albite-microcline crystalline solutions at elevated temperature: A test of regular solution thermodynamic models
K-Na mixing low albite-microcline crystalline solutions elevated temperature test regular solution thermodynamic models
2012/4/1
High-temperature volumes of K-Na mixing have been investigated for a seven-member
low albite-microcline ion-exchange series by conducting X-ray powder diffraction mea-
surements from room temperatur...
Evaluation of Kinetic Models for the Smectite to Illite Transformation
Illite Kinetics Models Smectite
2011/12/1
Abstract: Three different models have been reported previously to describe the kinetics of the transformation of smectite to illite (Pytte 1982; Velde and Vasseur 1992; Huang et al. 1993). In order to...
Observations on the geometry of etched fission tracks in apatite: Implications for models of track revelation
Observations geometry of etched fission tracks apatite Implications track revelation
2012/4/9
TEispaperreports observations ofetched internal {OOO1}, {lOTO},{1120}, {loT1},and {1121} surfaces of Durango apatite. Three types of surfaces are distinguished: Ptype, S type, and T type. After initia...
Magma transport and metasomatism in the mantle: A critical review of current geochemical models---Reply to Navon et al.
Magma transport metasomatism mantle:current geochemical models
2012/4/6
Navon et al. (1996) demonstrated that the Navon and Stolper (1987) model can be formulated to reproduce a pattern oflight-ion lithophile trace element (LIL) enrichments produced by a single, small-sca...
Magma transport and metasomatism in the mantle: A critical review of current geochemical models---Discussion
Magma transport metasomatism mantle critical review current geochemical models---Discussion
2012/4/6
Nielson and Wilshire (1993) promised a review of geochemically based models for magma transport and metasomatism in the mantle. However, they focused ondiscrediting the chromatographic modelofNavon an...
Granitic melt viscosities: Empirical and configurational entropy models for their calculation
Granitic melt viscosities entropy models calculation
2012/4/5
Newly measured viscosities ofa low H20-content granitic meltand a low H20-content albitic melthave been combined withviscosity data from the literature to create two new modelsfor the calculation ofgr...