Hydration_10_CEM-I
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Name |
Hydration_10_CEM-I |
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Description |
Hydration of OPC CEM-I with modified Parot-Killoch equations |
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Template definition file |
Scope
The template facilitates reaction path modelling of blended cement types where parametric studies on the numerical variables in the Cement Recipe of the template can be performed. A basic use is e.g. to simulate blending of OPC with one or more SCMs as illustrated in the tutorial Blending OPC and GBFS along a reaction path. However, many other reaction path models are possible including temperature, reacted amount, amongst others. Calculation of ternary diagrams for e.g. ternary cement systems starts also from this template (e.g., tutorial Blending of OPC with GFBS and SF in variable amounts(ternary)).
Implementation
Tables with Global Variables
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Tab 1 |
Cement Model |
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Tab 2 |
Cement Recipe - mineral |
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Tab 3 |
Hydration |
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Tab 4 |
Output |
Data blocks
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Chemical composition (oxides) of Ordinary Portland Cement |
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Chemical composition (oxides) of granulated blast furnace slag |
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Chemical composition (oxides) of silica fume |
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Chemical composition (oxides) of fly-ash |
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Chemical composition (oxides) of limestone |
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Chemical composition (oxides) of metakaolin |
Intermediate Input files
x, y indicate integers (Default: 1001)
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CementModelx._in |
This file contains the PHREEQC commands for the cement model. |
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CementReactionx._in |
This file contains the Reaction command with the amounts of the different oxides. Note that during the reaction path calculation, this file is re-written at each step. |
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Cementx_y.in |
This file contains a series of PHREEQC commands to calculate the equlibrated phases and solution taken input from entities with numbers x and saving a solution, equilibrium_phases and solid_solution entitiy with numbers y. |
Output files
Cement_Hydration_x.out
Description: Text file containing the cement recipe, reaction details and reaction products. x is an integer (default: 1001).
This file gives information for the initial values in the table, i.e. before the reaction path calculation.
Content: See Hydrates_00_General
CementHydrationResults.out
Description: Tab-delimited data file containing geochemical information of each step in the reaction paht (including cement recipe and details, hydration products, concentrations, etc.)
Content: Columns
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Amount |
Input - Amount of cement (g). From Cement::Recipe::Amount in in Recipe |
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OPC |
Input - Weight percentage of OPC in cement mixture (%). From Cement::Clinker::Amount in in OPC Clinker |
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GBFS |
Input - Weight percentage of GBFS in cement mixture (%). From GBFS::Amount in GBFS::Amount |
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SF |
Input - Weight percentage of SF in cement mixture (%). From SF::Amount in SF |
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FA |
Input - Weight percentage of FA in cement mixture (%). From SF::Amount in FA |
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LS |
Input - Weight percentage of FA in cement mixture (%). From LS::Amount in LS |
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MK |
Input - Weight percentage of MK in cement mixture (%). From MK::Amount in MK |
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wc |
Input - Water to binder ratio. From Cement::Recipe::w_c in Recipe |
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CaO, SiO2, Al2O3, Fe2O3, SO3, MgO, CO2, Na2O, K2O, Cl_t, ... |
Calculated total amount of reactive oxides (mole). Only the oxides relevant to the selected model system are printed (Cement::Model::System$ in Cement System. |
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Lead |
Value corresponding to the variable defined as a lead of the reaction path (Cement::Figures::Lead$ in Figures - General) |
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water |
Free water after hydration (L) |
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T |
Input - Temperature (°C). From Cement::Recipe::T in Recipe |
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mu |
Ionic strength |
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Ca, Si, Al, Fe, S, Mg, C, Na, K, Cl, ... |
Aqueous concentrations of elements (M). Only the elements relevant to the selected model system are printed (Cement::Model::System$ in Cement System. |
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Pure_phases |
Amount of pure phases (mole). Printed when Cement::Output::Hydrates::Moles in Output - Values is selected. |
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End_members |
Amount of the end members in solid-solutions (mole). Printed when Cement::Output::Hydrates::Moles in Output - Values is selected. |
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Solid_Solutions |
Amount of the solid*solutions (mole). Printed when Cement::Output::Hydrates::Moles in Output - Values is selected. |
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vPure_phase |
Volume of pure phases (cm³). Printed when Cement::Output::Hydrates::Volumes in Output - Values is selected. |
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vEnd_members |
Volume of the end members in solid-solutions (cm³). Printed when Cement::Output::Hydrates::Volumes in Output - Values is selected. |
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vSolid_Solutions |
Volume of the solid-solutions (cm³). Printed when Cement::Output::Hydrates::Volumes in Output - Values is selected. |
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wPure_phase |
Weight of pure phases (g). Printed when Cement::Output::Hydrates::Weights in Output - Values is selected. |
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wEnd_members |
Weight of end members in solid-solutions (g). Printed when Cement::Output::Hydrates::Weights in Output - Values is selected. |
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wSolid_Solutions |
Weight of solid-solutions (g). Printed when Cement::Output::Hydrates::Weights in Output - Values is selected. |
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siPure_phase |
Saturation index of pure phases. Printed when Cement::Output::Hydrates::SaturationIndex in Output - Values is selected. |
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CSH_Ca |
Total Ca in C-S-H (mole). |
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CSH_Si |
Total Si in C-S-H (mole). |
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GelPores |
Volume of gel pores (cm³) calculated according the selected C-S-H model. See - Porosity of gel pores. |
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AggVol |
Volume of the aggregates (cm³). |
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IniCemVol |
Volume of the dry cement prior to hydration (cm³) calculated using the amounts of OPC and SCM and their bulk densities (bulk densities are defined in the corresponding data blocks, e.g. in OPC) |
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CemVol |
Volume of the unhydrated OPC clinkers and SCMs (cm³). |
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HydratesVol |
Volume of the hydrates (cm³) |
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ChemShrink |
Volume of chemical shrinkage (cm³) calculated according to See Chemical Shrinkage. |
Graphs
Graphs are generated if Cement::Figures in Figures - General is checked.
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name |
Description |
Template specific variants |
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pH |
pH as a function of hydration time. Created if |
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Elements - moles |
Aqueous concentration of elements in M as a function of the lead variable. |
Y-axis - variant in mmol/l |
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Elements - mg |
Aqueous concentration of elements in mg/L as a function of the lead variable. |
Y-axis - variant in g/l |
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SolidsMoles |
Amount of solid phases in mole as a function of the lead variable. |
Y-axis - Normalized to 100 g binder |
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SolidsGrams |
Weight of solid phases in grams as a function of the lead variable |
Y-axis - Normalized to 100 g binder |
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SolidsVolumes |
Volume of solid phases in cm³ as a function of the lead variable |
Y-axis - Normalized to 100 g binder Y-axis - Expressed as volume fraction Y-axis - Expressed as volume fraction percentage. |
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Volumes |
Summary graphs with volumes of clinkers/SCMs, hydrates, capillary water, gel water and Chemical Shrinkage as a function of the lead variable. |
Y-axis - Normalized to 100 g binder Y-axis - Expressed as volume fraction Y-axis - Expressed as volume fraction percentage. |
Examples
Tutorials
Blending OPC and GBFS along a reaction path
Benchmarks