*3.3.2 Water molecule abundance (nH2O)*

The water molecule amount variation has a direct impact on the increase and/or decrease in the relative diffracted intensity essentially for the higher diffraction

#### **Figure 5.**

*Presentation of variables hydration states. The d001 basal spacing value is the projection of the period c\* on the normal to the layer.*

**Figure 6.** *Separated theoretical homogenous layer structures.*

orders. An example of this impact is reported in **Figure 7**. A homogeneous 1 W hydration state is considered and a discrete water molecule distribution (0.1 increasing step) is directed.

A remarkable reflection intensity evolution is visualized only by increasing the amount of water molecules in the IS from 0.1 to 1 (**Figure 8**) while maintaining the same reflection position.

**Figure 7.** *Effect of varying water molecule abundance on the theoretical XRD profiles.*

**Figure 8.** *Relative reflection intensity evolution by increasing IS water molecule abundance.*

*X-ray Diffraction Profiles Modeling Method for Layered Structures Reconstruction:… DOI: http://dx.doi.org/10.5772/intechopen.107017*

#### *3.3.3 Variation of the average number of layers M per stack*

The variation of the average number of layers M per stack affects the theoretical profiles (**Figure 9**), essentially the FWHM increases dramatically when the average number of layers is reduced. Note that when the average number of layers M decreases, the width of the lines 00ℓ (with ℓ = 1, 2, ... N) increases and vice versa.
