AMMONIA DENSITY AT THE TEMPERATURE OF PHASE TRANSITION FROM SOLID TO LIQUID STATE AS A FUNCTION OF COMPOSITION AND STRUCTURE IN MODELS OF PARTICLES WITH SPHERICAL IMAGES OF HYDROGEN AND NITROGEN ATOMS

S. Loginov
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Abstract

The results of numerical experiments on the calculation of ammonia density at the phase transition temperature are presented. Models of monomer and associates of liquid ammonia, representative cells of ammonia crystals were developed using spherical images of H and N atoms. The volumes and densities of the unit cell of ammonia crystals of cubic syngony, as well as the cyclic tetramer of ammonia, its symmetrically branched pentamer and monomer, as the main probable structures of liquid ammonia at the phase transition temperature, were calculated from objectively identified components of identifiers
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在氢和氮原子球形图像的粒子模型中,从固态到液态相变温度下的氨密度与组成和结构的关系
给出了计算相变温度下氨密度的数值实验结果。利用氢原子和氮原子的球形图像,建立了液态氨的单体和伴生物模型,以及氨晶体的代表性细胞。根据客观识别的标识符组分,计算了在相变温度下,立方共晶氨晶体的单位胞体积和密度,以及氨的环四聚体、对称支链的五聚体和单体作为液氨的主要可能结构
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