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Inputs

The following inputs are required for execution of the hydration model (program disreal3d.c provided in Appendix C):

• a negative integer random number seed,
• a flag (0=No, 1=Yes) indicating if the final microstructure is to be output to a file. If a value of 1 is entered for this parameter, the next entry must be the filename of the file to be created to store this microstructure.
• the filename of the file containing the initial 3-D microstructure to be used in the hydration model,
• for this file, the integer values assigned to C₃S, C₂S, C₃A, C₄AF, , gypsum, and aggregate (separated by spaces),
• the filename of the file containing the initial 3-D particle ID microstructure to be used in the hydration model (for assessing setting behavior),
• the number of one pixel particles of a phase to add. The program contains an iterative loop to continue to accept non-zero values for this parameter, so that the user can place different types of one pixel particles, at their discretion. This iterative process is terminated by the user inputting a value of 0 for the number of one pixel particles to add. Every time a non-zero value is input, the next entry must be the phase ID of the particles to be placed. The purpose of this input is to allow the user to add one-pixel inert (ID=13), silica fume (pozzolanic, ID=12), or gypsum (ID=6) particles to an existing 3-D starting microstructure prior to hydration.
• the number of cycles of the hydration model to execute,
• a flag indicating if hydration is to be under (0) saturated or (1) sealed conditions,
• the maximum number of diffusion steps to take in a given dissolution cycle,
• a prefactor and a scale factor for the nucleation probability of CH according to an exponential function [1],
• a prefactor and a scale factor for the nucleation probability of C₃AH₆,
• a prefactor and a scale factor for the nucleation probability of FH₃,
• the frequency (in cycles) for examining the percolation properties of the capillary pore space (this examination can be totally avoided by setting this parameter to a value larger than the requested number of cycles),
• the frequency (in cycles) for examining the percolation properties of the solids (set point),
• the induction time (time_induct) in hours for use in converting model cycles to real time,
• the initial temperature of the system in degrees Celsius,
• the activation energy (kJ/mole) for the cement hydration reactions,
• the calibration factor () for converting model cycles to real time based on an equation of the form [1]

  time = time_induct + (cycles)²,

• the mass fraction of aggregates (0.0 for cement paste hydration) in the concrete mixture proportions (not that present in the 3-D microstructure being used but that present in the concrete mixture being simulated), and
• a flag indicating if hydration is to be under (0) isothermal or (1) adiabatic conditions.

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