Crystal lattice energy of nitro compounds

Kovalev, Yu. M.; Shlyapochnikov, V. A.

doi:10.1007/bf00951729

Cited by 3 publications

(5 citation statements)

References 3 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Ⱥɧɚɥɨɝɢɱɧɨ ɪɚɛɨɬɟ [4] ɩɪɨɜɟɞɟɦ ɨɰɟɧɤɭ ɜɤɥɚɞɚ ɷɧɟɪɝɢɢ ɷɥɟɤɬɪɨɫɬɚɬɢɱɟɫɤɢɯ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ ɜ ɷɧɟɪɝɢɸ ɪɟɲɟɬɤɢ ɪɹɞɚ ɦɨɥɟɤɭɥɹɪɧɵɯ ɤɪɢɫɬɚɥɥɨɜ ɧɢɬɪɨɫɨɟɞɢɧɟɧɢɣ. ȼ ɤɚɱɟɫɬɜɟ ɨɛɴɟɤɬɨɜ ɢɫɫɥɟ-ɞɨɜɚɧɢɹ ɛɵɥɢ ɜɵɛɪɚɧɵ ɦɨɥɟɤɭɥɹɪɧɵɟ ɤɪɢɫɬɚɥɥɵ ɧɢɬɪɨɛɟɧɡɨɥɚ, ɪ-ɞɢɧɢɬɪɨɛɟɧɡɨɥɚ, ɬ-ɞɢɧɢɬɪɨɛɟɧɡɨɥɚ, ɪ-ɧɢɬɪɨɬɨɥɭɨɥɚ, ɝɟɤɫɨɝɟɧɚ, ɪ-ɧɢɬɪɨɚɧɢɥɢɧɚ, 2,4,6-ɬɪɢɧɢɬɪɨɚɧɢɥɢɧɚ, 1,3,5-ɬɪɢɚɦɢɧɨ-2,4,6-ɬɪɢɧɢɬɪɨɛɟɧɡɨɥɚ.…”

Section: ɉɰɟɧɤɚ ɜɤɥɚɞɚ ɷɥɟɤɬɪɨɫɬɚɬɢɱɟɫɤɢɯ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ ɜ ɷɧɟɪɝɢɸ ɪɟunclassified

“…ȼ ɤɚɱɟɫɬɜɟ ɨɛɴɟɤɬɨɜ ɢɫɫɥɟ-ɞɨɜɚɧɢɹ ɛɵɥɢ ɜɵɛɪɚɧɵ ɦɨɥɟɤɭɥɹɪɧɵɟ ɤɪɢɫɬɚɥɥɵ ɧɢɬɪɨɛɟɧɡɨɥɚ, ɪ-ɞɢɧɢɬɪɨɛɟɧɡɨɥɚ, ɬ-ɞɢɧɢɬɪɨɛɟɧɡɨɥɚ, ɪ-ɧɢɬɪɨɬɨɥɭɨɥɚ, ɝɟɤɫɨɝɟɧɚ, ɪ-ɧɢɬɪɨɚɧɢɥɢɧɚ, 2,4,6-ɬɪɢɧɢɬɪɨɚɧɢɥɢɧɚ, 1,3,5-ɬɪɢɚɦɢɧɨ-2,4,6-ɬɪɢɧɢɬɪɨɛɟɧɡɨɥɚ. Ⱦɚɧɧɵɣ ɧɚɛɨɪ ɦɨɥɟɤɭɥɹɪɧɵɯ ɤɪɢɫɬɚɥɥɨɜ ɧɢɬɪɨɫɨɟɞɢɧɟɧɢɣ ɛɵɥ ɜɵɛɪɚɧ ɧɟ ɫɥɭɱɚɣɧɨ: ɜ ɥɢɬɟɪɚɬɭɪɟ ɞɥɹ ɧɢɯ ɢɦɟɸɬɫɹ ɷɤɫɩɟɪɢɦɟɧɬɚɥɶɧɵɟ ɞɚɧɧɵɟ ɩɨ ɬɟɩɥɨɬɟ ɫɭɛ-ɥɢɦɚɰɢɢ ɢ ɞɚɧɧɵɟ ɪɟɧɝɟɧɨɫɬɪɭɤɬɭɪɧɨɝɨ ɚɧɚɥɢɡɚ [4]. Ⱦɥɹ ɭɜɟɥɢɱɟɧɢɹ ɞɨɫɬɨɜɟɪɧɨɫɬɢ ɜɵɱɢɫɥɟɧɢɹ ɷɧɟɪɝɢɢ ɷɥɟɤɬɪɨɫɬɚɬɢɱɟɫɤɨɝɨ ɜɡɚɢɦɨɞɟɣɫɬɜɢɹ ɡɚɪɹɞɵ ɧɚ ɚɬɨɦɚɯ ɦɨɥɟɤɭɥ ɧɢɬɪɨɫɨɟɞɢɧɟɧɢɣ ɪɚɫ-ɫɱɢɬɵɜɚɥɢɫɶ ɜ ɤɨɧɮɨɪɦɚɰɢɹɯ (ɝɟɨɦɟɬɪɢɢ), ɜɵɛɪɚɧɧɵɯ ɧɚ ɨɫɧɨɜɟ ɞɚɧɧɵɯ ɪɟɧɝɟɧɨɫɬɪɭɤɬɭɪɧɨɝɨ ɚɧɚɥɢɡɚ, ɬɨ ɟɫɬɶ ɫɨɨɬɜɟɬɫɬɜɭɸɳɢɯ ɤɨɧɮɨɪɦɚɰɢɢ ɦɨɥɟɤɭɥ ɜ ɤɪɢɫɬɚɥɥɟ.…”

Section: ɉɰɟɧɤɚ ɜɤɥɚɞɚ ɷɥɟɤɬɪɨɫɬɚɬɢɱɟɫɤɢɯ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ ɜ ɷɧɟɪɝɢɸ ɪɟunclassified

“…Ⱦɥɹ ɭɜɟɥɢɱɟɧɢɹ ɞɨɫɬɨɜɟɪɧɨɫɬɢ ɜɵɱɢɫɥɟɧɢɹ ɷɧɟɪɝɢɢ ɷɥɟɤɬɪɨɫɬɚɬɢɱɟɫɤɨɝɨ ɜɡɚɢɦɨɞɟɣɫɬɜɢɹ ɡɚɪɹɞɵ ɧɚ ɚɬɨɦɚɯ ɦɨɥɟɤɭɥ ɧɢɬɪɨɫɨɟɞɢɧɟɧɢɣ ɪɚɫ-ɫɱɢɬɵɜɚɥɢɫɶ ɜ ɤɨɧɮɨɪɦɚɰɢɹɯ (ɝɟɨɦɟɬɪɢɢ), ɜɵɛɪɚɧɧɵɯ ɧɚ ɨɫɧɨɜɟ ɞɚɧɧɵɯ ɪɟɧɝɟɧɨɫɬɪɭɤɬɭɪɧɨɝɨ ɚɧɚɥɢɡɚ, ɬɨ ɟɫɬɶ ɫɨɨɬɜɟɬɫɬɜɭɸɳɢɯ ɤɨɧɮɨɪɦɚɰɢɢ ɦɨɥɟɤɭɥ ɜ ɤɪɢɫɬɚɥɥɟ. ɗɮɮɟɤɬɢɜɧɵɟ ɡɚɪɹɞɵ ɧɚ ɚɬɨɦɚɯ, ɜɨɫɩɪɨɢɡɜɨɞɹɳɢɟ ɷɥɟɤɬɪɨɫɬɚɬɢɱɟɫɤɢɣ ɩɨɬɟɧɰɢɚɥ ɜ ɨɤɪɟɫɬɧɨɫɬɢ ɦɨɥɟɤɭɥɵ ɢ ɜɯɨɞɹɳɢɟ ɜ ɫɨɫɬɚɜ ɦɨɥɟɤɭɥ ɩɟɪɟɱɢɫɥɟɧɧɵɯ ɜɵɲɟ ɧɢɬɪɨɫɨɟɞɢɧɟɧɢɣ, ɜɵɱɢɫɥɟɧɵ ɜ ɩɪɢɛɥɢɠɟɧɢɢ ɏɚɪɬɪɢ-Ɏɨɤɚ ɛɨɥɟɟ ɫɨɜɪɟɦɟɧɧɵɦɢ ɤɜɚɧɬɨɜɨ-ɯɢɦɢɱɟɫɤɢɦɢ ɦɟɬɨɞɚɦɢ [5], ɧɟɠɟɥɢ ɷɬɨ ɛɵɥɨ ɫɞɟɥɚɧɨ ɪɚɧɟɟ ɜ ɪɚ-ɛɨɬɟ [4]. ɉɪɢ ɜɵɱɢɫɥɟɧɢɢ ɷɧɟɪɝɢɢ ɷɥɟɤɬɪɨɫɬɚɬɢɱɟɫɤɢɯ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ ɛɵɥɢ ɢɫɩɨɥɶɡɨɜɚɧɵ ɪɚɡ-ɧɵɟ ɦɨɞɢɮɢɤɚɰɢɢ ɦɟɬɨɞɚ ɗɜɚɥɶɞɚ [6,7].…”

Section: ɉɰɟɧɤɚ ɜɤɥɚɞɚ ɷɥɟɤɬɪɨɫɬɚɬɢɱɟɫɤɢɯ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ ɜ ɷɧɟɪɝɢɸ ɪɟunclassified

“…ȼɚɚɥɶɫɚ, ɨɩɢɫɵɜɚɥɢɫɶ ɭɧɢɜɟɪɫɚɥɶɧɨɣ ɤɪɢɜɨɣ ɞɥɹ ɤɚɠɞɨɝɨ ɫɨɪɬɚ ɚɬɨɦɨɜ i ɢ k ɜ ɮɨɪɦɟ ɩɨɬɟɧɰɢɚɥɚ (6-ɟɯɪ-Ȼɭɤɢɧɝɷɦɚ) [3,4,8].…”

Section: ɉɰɟɧɤɚ ɜɤɥɚɞɚ ɷɥɟɤɬɪɨɫɬɚɬɢɱɟɫɤɢɯ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ ɜ ɷɧɟɪɝɢɸ ɪɟunclassified

“…ɋɪɚɜɧɟɧɢɟ ɷɤɫɩɟɪɢɦɟɧɬɚɥɶɧɵɯ ɢ ɜɵɱɢɫɥɟɧɧɵɯ ɷɧɟɪɝɢɣ ɪɟɲɟɬɤɢ ɷɤɫɩ ɫɭɛɥ Ɉɩɪɟɞɟɥɟɧɢɟ ɮɨɪɦɵ ɭɩɪɭɝɨɣ ɫɨɫɬɚɜɥɹɸɳɟɣ ɭɪɚɜɧɟɧɢɣ ɫɨɫɬɨɹɧɢɹ ɦɨɥɟɤɭɥɹɪɧɵɯ ɤɪɢɫɬɚɥ-ɥɨɜ ȼɵɱɢɫɥɟɧɢɟ ɭɩɪɭɝɢɯ (ɧɟɜɚɥɟɧɬɧɵɯ ɦɟɠɦɨɥɟɤɭɥɹɪɧɵɯ) ɫɨɫɬɚɜɥɹɸɳɢɯ ɜɧɭɬɪɟɧɧɟɣ ɷɧɟɪɝɢɢ ɫ ɭɱɟɬɨɦ ɫɬɪɨɟɧɢɹ ɤɪɢɫɬɚɥɥɢɱɟɫɤɨɣ ɪɟɲɟɬɤɢ, ɩɪɨɜɟɞɟɧɧɨɟ ɜ ɪɹɞɟ ɪɚɛɨɬ [3,4], ɩɨɤɚɡɵɜɚɟɬ, ɱɬɨ ɩɨ-ɞɨɛɧɚɹ ɞɟɬɚɥɢɡɚɰɢɹ ɪɚɫɱɟɬɨɜ ɩɪɢɜɨɞɢɬ ɤ ɨɝɪɨɦɧɵɦ ɡɚɬɪɚɬɚɦ ɦɚɲɢɧɧɨɝɨ ɜɪɟɦɟɧɢ, ɚ ɚɩɩɪɨɤɫɢɦɚ-ɰɢɹ ɷɧɟɪɝɢɢ ɧɟɜɚɥɟɧɬɧɵɯ ɦɟɠɦɨɥɟɤɭɥɹɪɧɵɯ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ ɍ U ɧɚɛɨɪɨɦ ɩɨɬɟɧɰɢɚɥɨɜ ɜ ɦɨɞɟɥɢ Ⱥ.ɂ. Ʉɢɬɚɣɝɨɪɨɞɫɤɨɝɨ ɩɪɢɜɨɞɢɬ ɤ ɩɨɹɜɥɟɧɢɸ ɛɨɥɶɲɨɝɨ ɤɨɥɢɱɟɫɬɜɚ ɤɨɧɫɬɚɧɬ, ɤɨɬɨɪɵɟ ɧɟ ɜɫɟɝɞɚ ɭɞɚɟɬɫɹ ɚɞɟɤɜɚɬɧɨ ɨɩɪɟɞɟɥɢɬɶ ɢɡ ɢɦɟɸɳɢɯɫɹ ɷɤɫɩɟɪɢɦɟɧɬɚɥɶɧɵɯ ɞɚɧɧɵɯ.…”

Section: ɉɰɟɧɤɚ ɜɤɥɚɞɚ ɷɥɟɤɬɪɨɫɬɚɬɢɱɟɫɤɢɯ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ ɜ ɷɧɟɪɝɢɸ ɪɟunclassified

See 4 more Smart Citations

Determination of the Form of “Elastic” Component of the Equations of State of Molecular Crystals

Ковалев¹,

Kovalev²

2017

MMPh

View full text Add to dashboard Cite

ɉɪɟɞɫɬɚɜɥɟɧɵ ɪɟɡɭɥɶɬɚɬɵ ɨɛɨɫɧɨɜɚɧɢɹ ɜɵɛɨɪɚ ɮɨɪɦɵ ɩɨɬɟɧɰɢɚɥɚ ɦɟɠɦɨɥɟɤɭɥɹɪɧɨɝɨ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ, ɚɞɟɤɜɚɬɧɨ ɨɩɢɫɵɜɚɸɳɟɝɨ ɫɬɪɭɤɬɭɪɭ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ ɜ ɦɨɥɟɤɭɥɹɪɧɨɦ ɤɪɢɫɬɚɥɥɟ ɧɢɬɪɨɫɨɟɞɢɧɟɧɢɹ. ɉɨɤɚɡɚɧɨ, ɱɬɨ ɷɧɟɪɝɢɹ ɷɥɟɤɬɪɨɫɬɚɬɢɱɟɫɤɨɝɨ ɜɡɚɢɦɨɞɟɣɫɬɜɢɹ ɦɨɠɟɬ ɫɨɫɬɚɜɥɹɬɶ ɞɨ 25 % ɨɬ ɬɟɩɥɨɬɵ ɫɭɛɥɢɦɚɰɢɢ ɦɨɥɟɤɭɥɹɪɧɵɯ ɤɪɢɫɬɚɥɥɨɜ ɧɢɬɪɨɫɨɟɞɢɧɟɧɢɣ. Ⱦɚɧɧɨɟ ɡɚɤɥɸɱɟɧɢɟ ɩɨɡɜɨɥɢɥɨ ɨɩɪɟɞɟɥɢɬɶ ɮɨɪɦɭ ɩɨɬɟɧɰɢɚɥɚ ɧɟɜɚɥɟɧɬɧɵɯ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ ɞɥɹ ɩɨɫɬɪɨɟɧɢɹ ɞɜɭɱɥɟɧɧɨɝɨ ɭɪɚɜɧɟɧɢɹ ɫɨɫɬɨɹɧɢɹ ɦɨɥɟɤɭ-ɥɹɪɧɵɯ ɤɪɢɫɬɚɥɥɨɜ. Ȼɵɥɢ ɩɨɥɭɱɟɧɵ ɡɚɦɵɤɚɸɳɢɟ ɫɨɨɬɧɨɲɟɧɢɹ, ɨɩɪɟɞɟ-ɥɹɸɳɢɟ ɩɚɪɚɦɟɬɪɵ ɩɨɬɟɧɰɢɚɥɚ ɧɟɜɚɥɟɧɬɧɵɯ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ ɢ ɭɩɪɭɝɭɸ ɫɨɫɬɚɜɥɹɸɳɭɸ ɭɪɚɜɧɟɧɢɣ ɫɨɫɬɨɹɧɢɹ.Ʉɥɸɱɟɜɵɟ ɫɥɨɜɚ: ɭɪɚɜɧɟɧɢɟ ɫɨɫɬɨɹɧɢɹ, ɦɨɥɟɤɭɥɹɪɧɵɣ ɤɪɢɫɬɚɥɥ, ɷɧɟɪɝɢɹ Ƚɟɥɶɦɝɨɥɶɰɚ, ɩɨɬɟɧɰɢɚɥ Ʌɟɧɧɚɪɞ-Ⱦɠɨɧɫɚ, ɩɨɬɟɧɰɢɚɥ Ȼɭɤɢɧɝɟɦɚ, ɩɪɢɛɥɢɠɟɧɢɟ Ⱦɟɛɚɹ, ɩɪɢɛɥɢɠɟɧɢɟ ɗɣɧɲɬɟɣɧɚ. ȼɜɟɞɟɧɢɟ ɉɪɢ ɩɨɫɬɪɨɟɧɢɢ ɦɚɬɟɦɚɬɢɱɟɫɤɢɯ ɦɨɞɟɥɟɣ, ɨɩɢɫɵɜɚɸɳɢɯ ɛɵɫɬɪɨɩɪɨɬɟɤɚɸɳɢɟ ɩɪɨɰɟɫɫɵ ɜ ɬɜɟɪɞɵɯ ɜɡɪɵɜɱɚɬɵɯ ɜɟɳɟɫɬɜɚɯ (ȼȼ), ɨɫɨɛɭɸ ɩɪɨɛɥɟɦɭ ɩɪɟɞɫɬɚɜɥɹɸɬ ɡɚɦɵɤɚɸɳɢɟ ɫɨɨɬɧɨɲɟɧɢɹ ɭɪɚɜɧɟɧɢɣ ɦɚɬɟɦɚɬɢɱɟɫɤɨɣ ɮɢɡɢɤɢ -ɭɪɚɜɧɟɧɢɹ ɫɨɫɬɨɹɧɢɹ. ȼ ɧɚɫɬɨɹɳɟɟ ɜɪɟɦɹ ɞɥɹ ɨɩɪɟɞɟɥɟɧɢɹ ɩɚɪɚɦɟɬɪɨɜ ɭɪɚɜɧɟɧɢɣ ɫɨɫɬɨɹɧɢɹ ɩɪɢ ɜɵɫɨɤɢɯ ɞɚɜɥɟɧɢɹɯ ɢ ɬɟɦɩɟɪɚɬɭɪɚɯ ɲɢɪɨɤɨɟ ɪɚɫɩɪɨɫɬɪɚɧɟ-ɧɢɟ ɩɨɥɭɱɢɥɢ ɞɜɭɱɥɟɧɧɵɟ ɭɪɚɜɧɟɧɢɹ ɫɨɫɬɨɹɧɢɹ, ɜ ɤɨɬɨɪɵɯ ɜɧɭɬɪɟɧɧɹɹ ɷɧɟɪɝɢɹ ɢ ɞɚɜɥɟɧɢɟ ɩɪɟɞ-ɫɬɚɜɥɹɸɬɫɹ ɜ ɜɢɞɟ ɫɭɦɦɵ ɬɟɩɥɨɜɨɣ ɢ ɯɨɥɨɞɧɨɣ ɫɨɫɬɚɜɥɹɸɳɢɯ [1,2]. ɏɨɥɨɞɧɵɟ ɫɨɫɬɚɜɥɹɸɳɢɟ ɜɧɭɬɪɟɧɧɟɣ ɷɧɟɪɝɢɢ ɢ ɞɚɜɥɟɧɢɹ ɧɟ ɡɚɜɢɫɹɬ ɨɬ ɬɟɦɩɟɪɚɬɭɪɵ ɢ ɨɩɪɟɞɟɥɹɸɬɫɹ ɬɨɥɶɤɨ ɢɡɦɟɧɟɧɢɟɦ ɪɚɫɫɬɨɹɧɢɣ ɦɟɠɞɭ ɦɨɥɟɤɭɥɚɦɢ, ɜ ɬɨ ɜɪɟɦɹ ɤɚɤ ɬɟɩɥɨɜɚɹ ɫɨɫɬɚɜɥɹɸɳɚɹ ɨɩɢɫɵɜɚɟɬ ɞɜɢɠɟɧɢɟ ɨɬ-ɞɟɥɶɧɵɯ ɚɬɨɦɨɜ ɢ ɦɨɥɟɤɭɥ ɜ ɰɟɥɨɦ. ȼɫɟ ɬɜɟɪɞɵɟ ȼȼ ɨɬɧɨɫɹɬɫɹ ɤ ɦɨɥɟɤɭɥɹɪɧɵɦ ɤɪɢɫɬɚɥɥɚɦ ɧɢɬ-ɪɨɫɨɟɞɢɧɟɧɢɣ, ɦɨɥɟɤɭɥɵ ɤɨɬɨɪɵɯ ɢɦɟɸɬ ɛɨɥɶɲɨɟ ɱɢɫɥɨ ɫɬɟɩɟɧɟɣ ɫɜɨɛɨɞɵ. Ɇɟɠɦɨɥɟɤɭɥɹɪɧɨɟ ɜɡɚɢɦɨɞɟɣɫɬɜɢɟ ɜ ɦɨɥɟɤɭɥɹɪɧɵɯ ɤɪɢɫɬɚɥɥɚɯ ɨɪɝɚɧɢɱɟɫɤɢɯ ɫɨɟɞɢɧɟɧɢɣ ɨɩɢɫɵɜɚɟɬɫɹ ɫɢɥɚɦɢ ȼɚɧ-ɞɟɪ-ȼɚɚɥɶɫɚ. ɉɨɫɬɪɨɟɧɢɟ ɭɪɚɜɧɟɧɢɣ ɫɨɫɬɨɹɧɢɹ ɦɨɥɟɤɭɥɹɪɧɵɦ ɤɪɢɫɬɚɥɥɨɜ ɧɢɬɪɨɫɨɟɞɢɧɟɧɢɣ ɨɫɥɨɠɧɹɟɬɫɹ ɧɟ ɬɨɥɶɤɨ ɬɟɦ, ɱɬɨ ɦɨɥɟɤɭɥɵ ɢɦɟɸɬ ɛɨɥɶɲɨɟ ɱɢɫɥɨ ɫɬɟɩɟɧɟɣ ɫɜɨɛɨɞɵ, ɧɨ ɢ ɬɟɦ, ɱɬɨ ɜ ɤɪɢɫɬɚɥɥɚɯ ɦɨɝɭɬ ɨɛɪɚɡɨɜɵɜɚɬɶɫɹ ɜɨɞɨɪɨɞɧɵɟ ɫɜɹɡɢ, ɤɨɬɨɪɵɟ ɭɠɟ ɧɟ ɨɩɢɫɵɜɚɸɬɫɹ ɬɨɥɶɤɨ ɜɡɚɢ-ɦɨɞɟɣɫɬɜɢɟɦ ȼɚɧ-ɞɟɪ-ȼɚɚɥɶɫɚ.Ⱥɧɚɥɢɡ ɫɬɪɭɤɬɭɪ ɨɪɝɚɧɢɱɟɫɤɢɯ ɦɨɥɟɤɭɥɹɪɧɵɯ ɤɪɢɫɬɚɥɥɨɜ ɩɨɤɚɡɚɥ, ɱɬɨ ɦɨɥɟɤɭɥɵ ɜ ɨɪɝɚɧɢɱɟ-ɫɤɨɦ ɦɨɥɟɤɭɥɹɪɧɨɦ ɤɪɢɫɬɚɥɥɟ ɨɛɪɚɡɭɸɬ ɩɥɨɬɧɵɟ ɭɩɚɤɨɜɤɢ, ɤɨɝɞɚ ɤɚɠɞɵɣ ɚɬɨɦ ɦɨɥɟɤɭɥɵ ɫɬɪɟ-ɦɢɬɫɹ ɪɚɫɩɨɥɨɠɢɬɶɫɹ ɤɚɤ ɦɨɠɧɨ ɛɥɢɠɟ ɤ ɚɬɨɦɚɦ ɫɨɫɟɞɧɟɣ ɦɨɥɟɤɭɥɵ [3]. ɉɪɢɧɰɢɩ ɩɥɨɬɧɨɣ ɭɩɚ-ɤɨɜɤɢ ɩɨɡɜɨɥɢɥ Ⱥ.ɂ. Ʉɢɬɚɣɝɨɪɨɞɫɤɨɦɭ [3] ɫɮɨɪɦɭɥɢɪɨɜɚɬɶ ɢɞɟɸ ɚɞɞɢɬɢɜɧɨɫɬɢ ɷɧɟɪɝɢɢ ɜɡɚɢɦɨ-ɞɟɣɫɬɜɢɹ ɤɚɤ ɞɥɹ ɜɡɚɢɦɨɞɟɣɫɬɜɢɹ ɦɨɥɟɤɭɥɵ ɫ ɦɨɥɟɤɭɥɨɣ, ɬɚɤ ɢ ɞɥɹ ɜɡɚɢɦɨɞɟɣɫɬɜɢɹ ɚɬɨɦɚ ɫ ɚɬɨ-ɦɨɦ ɜ ɜɢɞɟ ɦɨɞɟɥɢ ɚɬɨɦ-ɚɬɨɦɧɵɯ ɩɨɬɟɧɰɢɚɥɨɜ: ɷɧɟɪɝɢɹ ɜɡɚɢɦɨɞɟɣɫɬɜɢɹ ɦɨɥɟɤɭɥ ɪɚɜɧɚ ɫɭɦɦɟ ɷɧɟɪɝɢɣ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ ɚɬɨɦɨɜ, ɫɨɫɬɚɜɥɹɸɳɢɯ ɦɨɥɟɤɭɥɵ. ɗɬɢ ɩɨɬɟɧɰɢɚɥɵ ɭɧɢɜɟɪɫɚɥɶɧɵ ɢ ɡɚ-ɜɢɫɹɬ ɬɨɥɶɤɨ ɨɬ ɫɨɪɬɚ ɚɬɨɦɚ. Ⱦɥɹ ɫɯɟɦɵ ɚɬɨɦ-ɚɬɨɦɧɵɯ ɩɨɬɟɧɰɢɚɥɨɜ ɦɨɝɭɬ ɛɵɬɶ ɩɪɢɧɹɬɵ ɪɚɡɥɢɱ-ɧɵɟ ɚɧɚɥɢɬɢɱɟɫɤɢɟ ɜɵɪɚɠɟɧɢɹ ɬɢɩɚ (6-ɟɯɪ-Ȼɭɤɢɧɝɷɦɚ) ɢɥɢ (6-12-Ʌɟɧɧɚɪɞ-Ⱦɠɨɧɫɚ), ɩɪɨɢɡɜɨɥɶ-ɧɵɟ ɩɚɪɚɦɟɬɪɵ ɤɨɬɨɪɵɯ ɞɨɥɠɧɵ ɨɩɪɟɞɟɥɹɬɶɫɹ ɢɡ ɷɤɫɩɟɪɢɦɟɧɬɚɥɶɧɵɯ ɡɧɚɱɟɧɢɣ ɬɟɩɥɨɬɵ ɫɭɛɥɢ-ɦɚɰɢɢ ɩɪɨɫɬɵɯ ɨɪɝɚɧɢɱɟɫɤɢɯ ɦɨɥɟɤɭɥɹɪɧɵɯ ɤɪɢɫɬɚɥɥɨɜ. ȼ ɫɨɨɬɜɟɬɫɬɜɢɢ ɫ ɦɨɞɟɥɶɸ ɚɬɨɦ-ɚɬɨɦɧɵɯ ɩɨɬɟɧɰɢɚɥɨɜ ɷɧɟɪɝɢɹ ɪɟɲɟɬɤɢ ɦɨɥɟɤɭɥ...

show abstract

Section: ɉɰɟɧɤɚ ɜɤɥɚɞɚ ɷɥɟɤɬɪɨɫɬɚɬɢɱɟɫɤɢɯ ɜɡɚɢɦɨɞɟɣɫɬɜɢɣ ɜ ɷɧɟɪɝɢɸ ɪɟunclassified

See 3 more Smart Citations

Determination of the Form of “Elastic” Component of the Equations of State of Molecular Crystals

Ковалев¹,

Kovalev²

2017

MMPh

View full text Add to dashboard Cite

show abstract

Equations of State to Describe Isothermal Compression of Certain Molecular Nitro Compound Crystals

Kovalev

2020

J Eng Phys Thermophy

View full text Add to dashboard Cite

Construction of Equations of the State to Describe Isothermal Compression of Some Molecular Crystals of Nitro-Compounds

Kovalev¹,

Kalinin²

2019

JCEM

View full text Add to dashboard Cite

We propose an approach to construct the equations of state of molecular crystals of nitro compounds. The approach allows to describe isothermal compression, and is based on the division of the Helmholtz free energy into thermal and "cold" parts. It turns out that the "cold" part can be divided into the intramolecular and intermolecular components, while the low-frequency and high-frequency vibrations can be distinguished in the thermal part. We propose to approximate the low-frequency component of the thermal part of the internal energy and the pressure of a molecular crystal by the Debye approximation. In order to describe the intermolecular energy of the Van der Waals interaction, we propose a potential that closes on the heat of sublimation of a molecular crystal. The "cold" part of pressure is determined by the change in intramolecular energy. We assume the "cold" part of pressure to be constant, and use the condition that the pressure is equal to 1 atm. under normal conditions in order to determine this part. This division of the Helmholtz energy allows to obtain explicitly the expressions for all thermodynamic values in the equations of state. In this paper, we assume the linear dependence of the Gruneisen coefficient on the volume. The use of a more complex relationship is not necessary, since we consider the isothermal compression, and the thermal component makes an insignificant contribution to the total pressure. We use the obtained dependences of thermodynamic values on temperature and volume in order to find the coefficients related to the known experimental data. A comparative analysis of the calculated and experimental values of the specific volumes of the molecular crystal of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) as a function of pressure shows their coincidence with an accuracy of 1%.

show abstract

Crystal lattice energy of nitro compounds

Cited by 3 publications

References 3 publications

Determination of the Form of “Elastic” Component of the Equations of State of Molecular Crystals

Determination of the Form of “Elastic” Component of the Equations of State of Molecular Crystals

Equations of State to Describe Isothermal Compression of Certain Molecular Nitro Compound Crystals

Construction of Equations of the State to Describe Isothermal Compression of Some Molecular Crystals of Nitro-Compounds

Contact Info

Product

Resources

About