26 research outputs found
Reactive transport modelling of hydrothermal dolomitisation using the CSMP++GEM coupled code:Effects of temperature and geological heterogeneity
Reactive transport modelling of dolomitisation using the new CSMP++GEM coupled code:governing equations, solution method and benchmarking results
Aqueous Solubility Diagrams for Cementitious Waste Stabilization Systems. 4. A Carbonation Model for Zn-Doped Calcium Silicate Hydrate by Gibbs Energy Minimization
CemGEMS – an easy-to-use web application for thermodynamic modeling of cementitious materials
Thermodynamic equilibrium calculations for cementitious materials enable predictions of stable phases and solution composition. In the last two decades, thermodynamic modelling has been increasingly used to understand the impact of factors such as cement composition, hydration, leaching, or temperature on the phases and properties of a hydrated cementitious system. General thermodynamic modelling codes such as GEM-Selektor have versatile but complex user interfaces requiring a considerable learning and training time. Hence there is a need for a dedicated tool, easy to learn and to use, with little to no maintenance efforts. CemGEMS (https://cemgems.app) is a free-to-use web app developed to meet this need, i.e. to assist cement chemists, students and industrial engineers in easily performing and visualizing thermodynamic simulations of hydration of cementitious materials at temperatures 0-99 °C and pressures 1-100 bar. At the server side, CemGEMS runs the GEMS code (https://gems.web.psi.ch) using the PSI/Nagra and Cemdata18 chemical thermodynamic data-bases (https://www.empa.ch/cemdata).
The present paper summarizes the concepts of CemGEMS and its template data, highlights unique features of value for cement chemists that are not available in other tools, presents several calculated examples related to hydration and durability of cementitious materials, and compares the results with thermodynamic modelling using the desktop GEM-Selektor code
Internally consistent thermodynamic data for aqueous species in the system Na-K-Al-Si-O-H-Cl
ISSN:0016-7037ISSN:1872-953
An internally consistent thermodynamic dataset for aqueous species in the system Ca-Mg-Na-K-Al-Si-O-H-C-Cl to 800 °C and 5 kbar
ISSN:1945-452XISSN:0002-959
Accelerating Reactive Transport Modeling: On-Demand Machine Learning Algorithm for Chemical Equilibrium Calculations
ISSN:0169-3913ISSN:1573-163
GEMSFITS: Code package for optimization of geochemical model parameters and inverse modeling
ISSN:0883-2927ISSN:1872-913