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Garnets in continentally derived high-pressure (HP) rocks of the Sesia Zone (Western Alps) exhibit three different chemical zonation patterns, depending on sample locality. Comparison of observed garnet zonation patterns with thermodynamically modelled patterns shows that the different patterns are caused by differences in the water content of the subducted protoliths during prograde metamorphism. Zonation patterns of garnets in water-saturated host rocks show typical prograde chemical zonations with steadily increasing pyrope content and increasing XMg, together with bell-shaped spessartine patterns. In contrast, garnets in water-undersaturated rocks have more complex zonation patterns with a characteristic decrease in pyrope and XMg between core and inner rim. In some cases, garnets show an abrupt compositional change in core-to-rim profiles, possibly due to water-undersaturation prior to HP metamorphism. Garnets from both water-saturated and water-undersaturated rocks show signs of intervening growth interruptions and core resorption. This growth interruption results from bulk-rock depletion caused by fractional garnet crystallization. The water content during burial influences significantly the physical properties of the subducted rocks. Due to enhanced garnet crystallization, water-undersaturated rocks, i.e. those lacking a free fluid phase, become denser than their water-saturated equivalents, facilitating the subduction of continental material. Although water-bearing phases such as phengite and epidote are stable up to eclogite-facies conditions in these rocks, dehydration reactions during subduction are lacking in water-undersaturated rocks up to the transition to the eclogite facies, due to the thermodynamic stability of such hydrous phases at high P-T conditions. Our calculations show that garnet zonation patterns strongly depend on the mineral parageneses stable during garnet growth and that certain co-genetic mineral assemblages cause distinct garnet zonation patterns. This observation enables interpretation of complex garnet growth zonation patterns in terms of garnet-forming reactions and water content during HP metamorphism, as well determination of detailed P-T paths.
Quantitative thermodynamic and geochemical modeling is today applied in a variety of geological environments from the petrogenesis of igneous rocks to the oceanic realm. Thermodynamic calculations are used, for example, to get better insight into lithosphere dynamics, to constrain melting processes in crust and mantle as well as to study fluid-rock interaction. The development of thermodynamic databases and computer programs to calculate equilibrium phase diagrams have greatly advanced our ability to model geodynamic processes from subduction to orogenesis. However, a well-known problem is that despite its broad application the use and interpretation of thermodynamic models applied to natural rocks is far from straightforward. For example, chemical disequilibrium and/or unknown rock properties, such as fluid activities, complicate the application of equilibrium thermodynamics.
One major aspect of the publications presented in this Habilitationsschrift are new approaches to unravel dynamic and chemical histories of rocks that include applications to chemically open system behaviour. This approach is especially important in rocks that are affected by element fractionation due to fractional crystallisation and fluid loss during dehydration reactions. Furthermore, chemically open system behaviour has also to be considered for studying fluid-rock interaction processes and for extracting information from compositionally zoned metamorphic minerals. In this Habilitationsschrift several publications are presented where I incorporate such open system behaviour in the forward models by incrementing the calculations and considering changing reacting rock compositions during metamorphism. I apply thermodynamic forward modelling incorporating the effects of element fractionation in a variety of geodynamic and geochemical applications in order to better understand lithosphere dynamics and mass transfer in solid rocks.
In three of the presented publications I combine thermodynamic forward models with trace element calculations in order to enlarge the application of geochemical numerical forward modeling. In these publications a combination of thermodynamic and trace element forward modeling is used to study and quantify processes in metamorphic petrology at spatial scales from µm to km. In the thermodynamic forward models I utilize Gibbs energy minimization to quantify mineralogical changes along a reaction path of a chemically open fluid/rock system. These results are combined with mass balanced trace element calculations to determine the trace element distribution between rock and melt/fluid during the metamorphic evolution. Thus, effects of mineral reactions, fluid-rock interaction and element transport in metamorphic rocks on the trace element and isotopic composition of minerals, rocks and percolating fluids or melts can be predicted.
One of the included publications shows that trace element growth zonations in metamorphic garnet porphyroblasts can be used to get crucial information about the reaction path of the investigated sample. In order to interpret the major and trace element distribution and zoning patterns in terms of the reaction history of the samples, we combined thermodynamic forward models with mass-balance rare earth element calculations. Such combined thermodynamic and mass-balance calculations of the rare earth element distribution among the modelled stable phases yielded characteristic zonation patterns in garnet that closely resemble those in the natural samples. We can show in that paper that garnet growth and trace element incorporation occurred in near thermodynamic equilibrium with matrix phases during subduction and that the rare earth element patterns in garnet exhibit distinct enrichment zones that fingerprint the minerals involved in the garnet-forming reactions.
In two of the presented publications I illustrate the capacities of combined thermodynamic-geochemical modeling based on examples relevant to mass transfer in subduction zones. The first example focuses on fluid-rock interaction in and around a blueschist-facies shear zone in felsic gneisses, where fluid-induced mineral reactions and their effects on boron (B) concentrations and isotopic compositions in white mica are modeled. In the second example, fluid release from a subducted slab and associated transport of B and variations in B concentrations and isotopic compositions in liberated fluids and residual rocks are modeled. I show that, combined with experimental data on elemental partitioning and isotopic fractionation, thermodynamic forward modeling unfolds enormous capacities that are far from exhausted.
In my publications presented in this Habilitationsschrift I compare the modeled results to geochemical data of natural minerals and rocks and demonstrate that the combination of thermodynamic and geochemical models enables quantification of metamorphic processes and insights into element cycling that would have been unattainable so far.
Thus, the contributions to the science community presented in this Habilitatonsschrift concern the fields of petrology, geochemistry, geochronology but also ore geology that all use thermodynamic and geochemical models to solve various problems related to geo-materials.