Incorporation of iodine into apatite structure: a crystal chemistry approach using Artificial Neural Network
Materials with apatite crystal structure provide a great potential for incorporating the long-lived radioactive iodine isotope (129I) in the form of iodide (I-) from nuclear waste streams. Because of its durability and potentially high iodine content, the apatite waste form can reduce iodine release rate and minimize the waste volume. Crystal structure and composition of apatite was investigated for iodide incorporation into the channel of the structure using Artificial Neural Network. A total of 86 experimentally determined apatite crystal structures of different compositions were compiled from literature, and 46 of them were used to train the networks and 42 were used to test the performance of the trained networks. The results show that the performances of the networks are satisfactory for predictions of unit cell parameters a and c and channel size of the structure. The trained and tested networks were then used to predict unknown compositions of apatite that incorporates iodide. With a crystal chemistry consideration, chemical compositions that lead to matching the size of the structural channel to the size of iodide were then predicted to be able to incorporate iodide in the structural channel. The calculations suggest that combinations of A site cations of Ag+, K+, Sr2+, Pb2+, Ba2+, and Cs+, and X site cations, mostly formed tetrahedron, of Mn5+, As5+, Cr5+, V5+, Mo5+, Si4+, Ge4+, and Re7+ are possible apatite compositions that are able to incorporate iodide. The charge balance of different apatite compositions can be achieved by multiple substitutions at a single site or coupled substitutions at both A and X sites. The results give important clues for designing experiments to synthesize new apatite compositions and also provide a fundamental understanding how iodide is incorporated in the apatite structure. This understanding can provide important insights for apatite waste forms design by optimizing the chemical composition and synthesis procedure.
Structural characterization of U(VI) in apatite by X-ray absorption spectroscopy.
X-ray absorption spectroscopy was used to determine the local structure of U(VI) within synthetic fluorapatite at a concentration of 2.3 wt %. Extended X-ray absorption fine structure indicates that U(VI) substitutes into the Ca1 site. To accommodate this substitution the apatite structure significantly distorts such that the Ca1 site approximates octahedral coordination, with six uniform U-0 distances of 2.06A. An X-ray adsorption edge structure, with two inflection points, and optical emission spectra are consistent with 6d orbital crystal field splitting. These results indicate that significant amounts of U(VI) can be accommodated in the apatite structure but with an unexpected coordination, which may bear on the ultimate development of apatite-hosted nuclear-waste forms.
Evaluation of Impact of Yarn Count and Stitch Length on Pilling, Abrasion, Shrinkage and Tightness Factor of 1 ? 1 Rib Cotton Knitted Fabrics
This study investigates the impact of yarn count and stitch length of 100% cotton knitted fabrics. 1 × 1 ribs structured fabrics were used in this research work. The stitch length 2.50 mm, 2.52 mm, 2.60 mm, 2.70 mm, 2.80 mm and 2.96 mm were used of the yarn count of 26Ne, 28Ne and 36Ne. The areal densities of the grey fabrics were in various amounts. The impacts of yarn count and stitch length were measured concerning pilling resistance, abrasion resistance, and shrinkage and tightness factor. The result showed that the fabric pilling grade decreased while number of cycle increased. Abrasion resistance decreased but length wise shrinkage increased despite the fact that the stitch length increased. The results also exposed that the tightness factor of the fabric increased with the increase of the stitch length in both dyeing and washing state and finished state compared to grey state for the yarn count 26Ne and homogeneous result not found for yarn count 28Ne and 36 Ne. Evaluation of Impact of Yarn Count and Stitch Length on Pilling, Abrasion, Shrinkage and Tightness Factor of 1 × 1 Rib Cotton Knitted Fabrics