Search results for "Degree of reaction"

showing 2 items of 2 documents

Hydrated Layer Formation on Tricalcium and Dicalcium Silicate Surfaces: Experimental Study and Numerical Simulations

2001

In this paper, an original approach is used to study the calcium silicate hydrate (C−S−H) layer formation on the surface of grains of anhydrous silicate during tricalcium and dicalcium silicate hydration from the variation of the rate of hydration with lime concentration. The effects of C−S−H nucleation and growth on the curves for the degree of reaction against time have been separated in both experimental study of the rate of hydration in controlled conditions and numerical simulation of the growth of C−S−H on a surface from a particle aggregation model. The influence of the number of nuclei and of the different growth modes has been quantified.

Degree of reactionMaterials scienceNucleationMineralogySurfaces and Interfacesengineering.materialCondensed Matter PhysicsSilicatechemistry.chemical_compoundParticle aggregationchemistryChemical engineeringElectrochemistryAnhydrousengineeringGeneral Materials ScienceCalcium silicate hydrateLayer (electronics)SpectroscopyLimeLangmuir
researchProduct

Equilibrium properties of the reaction H2⇌ 2H by classical molecular dynamics simulations

2013

We have developed a classical molecular dynamics model for the hydrogen dissociation reaction, containing two- and three-particle potentials derived by Kohen, Tully and Stillinger. Two fluid densities were investigated for a wide range of temperatures, and 11 fluid densities were considered for one temperature. We report the temperature range where the degree of reaction is significant, and also where a stable molecule dominates the population in the energy landscape. The three-particle potential, which is essential for the reaction model and seldom studied, together with the two-particle interaction lead to a large effective excluded volume diameter of the molecules in the molecular fluid.…

Degree of reactioneducation.field_of_studyHydrogenPopulationGeneral Physics and AstronomyEnergy landscapechemistry.chemical_elementThermodynamicsChemical reactionStandard enthalpy of formationMolecular dynamicschemistryPhysical and Theoretical ChemistryeducationAmbient pressurePhys. Chem. Chem. Phys.
researchProduct