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Structure · dataset · 2026

Mineralogy and geochemistry of basalt reservoirs for CO2 Storage in Helguvík, Iceland

Listed in ETH Zürich Research Collection

These data refer to the publication Mineralogy, geochemistry and physical properties of Basalt reservoirs for CO2 Storage in Helguvík, Iceland, in preparation for G cube MINERAL COMPOSITION The mineral composition presented here refers to data measured with QEMSCAN.

Description

In geological and materials analysis, QEMSCAN (Quantitative Evaluation of Minerals by Scanning Electron Microscopy) calculates grain density, bulk density, and porosity through automated mineral mapping and image analysis rather than direct physical weighing. 1.

Grain Density The system calculates the overall grain density using a volume-weighted average of the specific minerals detected in the sample. Mineral Identification: It scans the sample using Energy-Dispersive X-ray Spectroscopy (EDS) to identify every individual mineral phase at the pixel level. Calculation: The software references a built-in database of known densities for each identified mineral.

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It then calculates the global grain density ( \(\rho _{g}\) ) using the mathematical formula: \(\rho _{g}=\sum _{i=1}^{n}(V_{i}\times \rho _{i})\) Where \(V_{i}\) is the volumetric fraction of mineral \(i\), and \(\rho _{i}\) is the theoretical density of that mineral. 2. Porosity QEMSCAN determines porosity volumetrically by identifying and quantifying the empty, unmineralized, or epoxy-filled spaces within the SEM backscattered electron (BSE) images.

Image Segmentation: The software separates the image into distinct phases: mineral grains and pore spaces (voids). Calculation: It computes the areal percentage of pores across the scanned surface area. Because the surface of a polished 2D section statistically represents the 3D volume, this 2D areal porosity is converted into a 3D volumetric porosity ( \(\phi \) ): \(\phi =\frac{\text{Volume\ of\ Pores}}{\text{Total\ Volume}}\) 3.

Bulk Density Bulk density (the mass of the entire rock or sample divided by its total volume) is determined by combining the mineral-derived grain density with the QEMSCAN porosity measurement Calculation: The system calculates the dry bulk density ( \(\rho _{b}\) ) using the relationship between the solid matrix density and the measured void space: \(\rho _{b}=\rho _{g}\times (1-\phi )\) Where \(\rho _{g}\) is the grain density and \(\phi \) is the fractional porosity.

CHEMICAL COMPOSITION The chemical composition reported here refers to a method based with X-ray fluorescence. X-ray Fluorescence (XRF) determines element percentages by measuring the characteristic X-rays emitted from a sample when it is excited by a primary X-ray source. How XRF Calculates Element Percentages XRF spectrometers use a multi-step process to convert raw light signals into precise chemical percentages: • Excitation: Primary X-rays hit the rock sample. • Emission: Atoms eject inner-shell electrons. • Fluorescence: Outer electrons drop down, emitting secondary X-rays. • Detection: Sensors measure the energy and intensity of these X-rays. • Energy Identification: X-ray energy identifies which elements are present. • Intensity Measurement: Peak brightness relates directly to element abundance. • Calibration: Software compares intensities against certified reference materials. • Matrix Correction: Algorithms adjust for absorption and enhancement effects.

Why the Sum Can Exceed 100% In theory, the sum of all components in a rock should equal exactly 100%. In practical XRF analysis, totals can finish above 100% (often 101% to 103%) due to several analytical factors: • Oxide State Assumptions: Most geological XRF software calculates elements as standard oxides (e.g., \(SiO_{2}\), \(Fe_{2}O_{3}\)). If the iron in the rock is actually a pure metal or a lower-mass oxide (\(FeO\)), the software artificially adds excess oxygen mass to the final calculation. • Mineralogical Heterogeneity: Uneven mineral distribution causes disproportionate signal bouncing. • Surface Roughness: Microscopic bumps alter the expected X-ray takeoff angle. • Matrix Effect Overcorrection: Mathematical models can overcompensate for element interactions. • Calibration Drift: Instrumental variations can cause standard lines to shift.

Laser Ablation The chemical composition from laser ablation is also presented. Chemical composition by laser ablation offers significantly higher sensitivity; it can reliably detect trace and ultra-trace elements. Laser ablation (specifically LA-ICP-MS) measures elements in a rock by focusing a high-energy laser onto the sample to vaporize a microscopic pit.

The resulting aerosol is carried into a plasma torch where it is atomized and ionized. A mass spectrometer then separates and measures the ions based on their mass-to-charge ratio. Major elements like Aluminum (\(Al\)) and Calcium (\(Ca\)) are traditionally reported as oxides (e.g., \(Al_{2}O_{3}\) and \(CaO\)) rather than pure elements or raw cations.

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