Aggregation model for the gelation of a sol starting from the processing conditions

Sol–gel simulation—I: Scattering response

“…The structures at scale λ ∈ [1, λ max ] are generated by an aggregation algorithm explained in detail in [24]. Here λ max stands for the maximum scale at the first generation of the multi scale algorithm, a scale that is given by the size of the simulation box L = λ max (2a 0 ), where 2a 0 is the size of the primary particles.…”

“…Using this concept, the probability of reaction of two particles is calculated using the Metropolis algorithm [24]. In this way, different structures are formed by varying the reactivity.…”

“…The primary particles may be molecules like SiO 2 , or cluster of molecules with a known size and density. In this study SiO 2 is chosen in order to use the structures assembled in [24], which happen to be build on the basis of SiO 2 . Structures based on other precursors are not readily available but could be used if they were available.…”

“…In this way, the fractal dimension of the clusters can be determined by fitting Eq. (24) to the scattering intensity calculated by the computer simulation (thick, solid lines in the figure).…”

“…This technology uses colloidal aggregation [10][11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27], which after the removal of the liquid phase leaves a solid ceramic structure [28,12]. Extracting the liquid phase of the colloid gently, e.g.…”