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SOLPRINT Thermodynamic Database User Reference for SOLTHERMSource

This data submission is link to a user reference guide for the SOLTHERM thermodynamic database maintained by the University of Oregon. The data at this link are not 'data results' from sampling. These data are derived from SOLTHERM as a reference for the user, showing balanced reactions and equilibrium constants log K(T,P) along the liquid-vapor saturation curve only, up to 350 degrees C, for aqueous species and minerals including REE, and gases. These data are more easily read by the user than the those in the SOLTHERM thermodynamic database.

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No licence known
Tags:
REESOLPRINTSOLTHERMaqueous specieschemistrydatabasegeochemicalgeochemistrygeothermalglassmineralminerologymodelmodelingrare earth elementsstoichiometrythermodynamicthermodynamics
Formats:
TXTxpt
National Renewable Energy Laboratory (NREL)about 1 year ago
SOLTHERM Thermodynamic Database for Geochemical ModelingSource

This data submission is a link to a thermodynamic database maintained by the University of Oregon. The data at this link are not 'data results' from sampling. The data at this link comprise a thermodynamic database for aqueous species, minerals, and gases, including data for stoichiometry, equilibrium constants log K(T,P), aqueous activity coefficients, fugacity coefficients, and water enthalpy. These data are derived from SOLTHERM as a reference for the user, showing balanced reactions and equilibrium constants log K(T,P) along the liquid-vapor saturation curve only, up to 350 degrees C, for aqueous species and minerals including REE, and gases. These data include REE aqueous species and minerals. These data are used by programs SOLVEQ-XPT, CHIM-XPT, and GEOCAL-XPT.

0
No licence known
Tags:
REESOLTHERMaqueous specieschemistrydatabasegeochemicalgeochemistrygeothermalglassmineralminerologymodelmodelingrare earth elementsstoichiometrythermodynamicthermodynamics
Formats:
xptTXT
National Renewable Energy Laboratory (NREL)about 1 year ago
Thermodynamics of the hydrodenitrogenation of carbazole

A thermodynamic analysis, based on accurate experimental Gibbs energies of formation, was completed for the key hydrogen-consuming steps in the HDN reaction network for carbazole. The results were compared with literature reaction studies. The concept of crossover temperature'' is shown to be a valuable tool in the interpretation of literature reaction-study results. Methods of nitrogen removal from aromatic materials are discussed in light of the findings of the thermodynamic analysis. It is concluded that the removal of nitrogen from heterocyclic aromatic nitrogen-containing compounds with conventional hydrodesulfurization catalysts, temperatures, and hydrogen pressures occurs under thermodynamic control'' with unavoidably high hydrogen consumption. The report also concludes that to reduce hydrogen consumption in the HDN of carbazole, pathways via 1,2,3,4a,9a-hexahydrocarbazole must be followed. Conditions under which these processes are possible are discussed. 36 refs., 9 figs.

0
No licence known
Tags:
Geologycarbazolehydrodenitrogenationthermodynamics
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PDF
National Energy Technology Laboratory (NETL)about 1 year ago