New Aspects of Thermodynamic Sorption Modelling Introduced by Gibbs Energy Minimisation

1998 ◽  
Vol 62A (2) ◽  
pp. 822-823 ◽  
Author(s):  
D. A. Kulik
2020 ◽  
Author(s):  
Annelore Bessat ◽  
Sébastien Pilet ◽  
Stefan M. Schmalholz ◽  
Yuri Podladchikov

<p>The formation of alkaline magmas observed worldwide requires that low degree-melts, potentially formed in the asthenosphere, were able to cross the overlying lithosphere. Fracturing in the upper, brittle part of the lithosphere may help to extract this melt to the surface. However, the mechanism of extraction in the lower, ductile part of the lithosphere is still contentious. Metasomatic enrichment of the lithospheric mantle demonstrates that such low-degree melts interact with the lithosphere, but the physical aspect of this process remains unclear. The aim of this study is to better understand the percolation of magma in a porous viscous medium at pressure (P) and temperature (T) conditions relevant for the base of the lithosphere. We study such melt percolation numerically with a Thermo-Hydro-Chemical model of reactive transport coupled with thermodynamic data obtained via Gibbs energy minimisation. We perform Gibbs energy minimisation with Matlab using the linprog algorithm. We start with a simple ternary system of Forsterite/Fayalite/Enstatite solids and melts. All variables are a function of T, P and composition of the system (C), and are computed in both the Gibbs energy minimisation and in the reactive transport code, and can therefore vary freely.</p>


2002 ◽  
Vol 90 (9-11) ◽  
Author(s):  
D. A. Kulik

SummaryRadionuclide sorption on mineral-water interfaces can be thermodynamically modelled, similar to solid-solution aqueous-solution systems (only in chemical elemental stoichiometry), if definitions of the standard and reference states, surface activity terms (SAT), and elemental stoichiometries of surface-bound species are unequivocally established. A pre-requisite is that a unique common value of the reference (site) density (Γ


2021 ◽  
Author(s):  
Annelore Bessat ◽  
Sébastien Pilet ◽  
Stefan M. Schmalholz ◽  
Yuri Podladchikov

<p>The formation of alkaline magmas observed worldwide requires that low degree-melts, potentially formed in the asthenosphere, were able to cross the overlying lithosphere. Fracturing in the upper, brittle part of the lithosphere may help to extract this melt to the surface. However, the mechanism of extraction in the lower, ductile part of the lithosphere is still contentious. Metasomatic enrichment of the lithospheric mantle demonstrates that such low-degree melts interact with the lithosphere, but the physical aspect of this process remains unclear.</p><p>Here, we aim to better understand, first, the percolation of magma in a porous viscous medium at pressure (P) and temperature (T) conditions relevant for the base of the lithosphere, and second, the impact of chemical differentiation on melt migration. We investigate theoretically the process of melt migration employing the fundamental laws of physics and thermodynamics. We simulate melt percolation numerically with a one-dimensional (1-D) Thermo-Hydro-Mechanical-Chemical (THMC) model of porosity waves coupled with thermodynamic results obtained from numerical Gibbs energy minimisation calculations. We perform THMC modelling and Gibbs energy minimisations with self-developed numerical algorithms using MATLAB and linear programming routines. We employ a simple ternary system of Forsterite/Fayalite/Enstatite for the solid and melt. Model variables, such as solid and melt densities or mass concentrations of MgO and SiO in solid and melt, are a function of pressure (P), temperature (T) and total silica concentration of the system (X). These variables are pre-computed with Gibbs energy minimisation and implemented in the THMC porosity wave transport code via parameterized equations, determining the T-P-X dependence of the model variables.</p><p>First results show that the total silica concentration and the temperature gradient are important parameters to consider in melt migration by reactive porosity waves. We discuss results of a systematic series of 1-D simulations and we present preliminary results form a 2-D reactive porosity wave model.</p>


Author(s):  
Pertti Koukkari ◽  
Risto Pajarre ◽  
Klaus Hack

Author(s):  
Alexandre Mathevon ◽  
Michel Perez ◽  
Véronique Massardier ◽  
Damien Fabrègue ◽  
Patrice Chantrenne ◽  
...  

2019 ◽  
Vol 64 (12) ◽  
pp. 1274-1280
Author(s):  
L. P. Ogorodova ◽  
Yu. D. Gritsenko ◽  
M. F. Vigasina ◽  
A. Yu. Bychkov ◽  
D. A. Ksenofontov ◽  
...  

A thermochemical study of natural calcium and magnesium orthosilicate ─ monticellite (Ca1.00Mg0.95)[SiO4] (Khabarovsk Territory, Russia) was carried out on the Tian-Calvet microcalorimeter. The enthalpy of formation from the elements fHоel(298.15 K) = -2238.4 4.5 kJ / mol was determined by the method of high-temperature melt solution calorimetry. The enthalpy and Gibbs energy of formation of monticellite of the theoretical composition of CaMg[SiO4] are calculated: fH0el(298.15 K) = -2248.4 4.5 kJ/mol and fG0el(298.15 K) = -2130.5 4.5 kJ/mol.


1988 ◽  
Vol 53 (4) ◽  
pp. 671-685 ◽  
Author(s):  
Oldřich Pytela ◽  
Miroslav Ludwig

A theoretical description of the effect of changed composition of mixed solvents on processes in solutions has been suggested on the basis of the proportionality between the Gibbs energy change of the process and that of the solvent due to the transition from pure components to the mixture. The additional Gibbs energy has been expressed by means of the so-called classical functions by Margules, van Laar-Wohl, and van Laar-Null. The application to 115 various processes (pK, IR, UV-VIS, NMR, log k, and others) has confirmed that the theoretical presumptions are justified, the most suitable being Margules' 4th order model which shows a statistically significant difference from the models of lower orders.


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