Prediction of enthalpy for nitrogen gas

Deng Ming; Jia Chun-Sheng

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Prediction of enthalpy for nitrogen gas

机译：氮气焓预测

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Based on the modified Rosen-Morse oscillator in the description of the internal vibration of a molecule, we propose an explicit representation of molar enthalpy for gaseous diatomic molecule substances. In terms of experimental values of the dissociation energy, equilibrium bond length and vibrational frequency, the molar enthalpy values of the nitrogen gas can be well predicted in the temperature range of 100-6000K from a comparison of theoretically calculated results and experimental data. The present enthalpy calculation model only needs three molecular constants without the need for a large amount of experimental spectroscopy data.

机译：基于修饰的RENS-MORSE振荡器在分子的内部振动的描述中，我们提出了一种明确表示气态硅藻素物质的摩尔焓。就解离能的实验值，平衡键长和振动频率而言，从理论计算结果和实验数据的比较，氮气的摩尔焓值可以在100-6000k的温度范围内进行很好地预测。本焓计算模型仅需要三种分子常数，而不需要大量的实验光谱数据。

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来源
《European Physical Journal Plus》 |2018年第7期|共6页
作者
Deng Ming; Jia Chun-Sheng;
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作者单位

Chengdu Yulin High Sch Chengdu 610000 Sichuan Peoples R China;

Southwest Petr Univ State Key Lab Oil &

Gas Reservoir Geol &

Exploita Chengdu 610500 Sichuan Peoples R China;

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原文格式 PDF
正文语种 eng
中图分类物理学;
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1. Comment on "Prediction of enthalpy for nitrogen gas" by Ming Deng and Chun-Sheng Jia [J] . Umirzakov I. H. European Physical Journal Plus . 2019,第9期

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2. Prediction of enthalpies of sublimation of high-nitrogen energetic compounds: Modified Politzer model [J] . Suntsova Marina A., Dorofeeva Olga V. Journal of molecular graphics & modelling . 2017,第期

机译：高氮优质化合物升华焓的预测：改性Politzer模型
3. Prediction of enthalpy of formation in the solid state (at 298.15 K) using second-order group contributions - Part 2: Carbon-hydrogen, carbon-hydrogen-oxygen, and carbon-hydrogen-nitrogen-oxygen compounds [J] . Salmon A, Dalmazzone D Journal of Physical and Chemical Reference Data . 2007,第1期

机译：使用二阶基团贡献力预测固态（在298.15 K时）的形成焓-第2部分：碳氢，碳氢氧和碳氢氮氧化合物
4. CFD Predictions of High Enthalpy Shocks in Nitrogen [C] . Durgesh Chandel, Ioannis Nompelis, Graham V. Candler, AIAA aviation forum . 2019

机译：氮气中高焓冲击的CFD预测
5. Experimental investigation and analysis of high-enthalpy nitrogen flow over graphite [D] . Lutz, Andrew J. 2015

机译：石墨上高焓氮流的实验研究与分析
6. Publisher Correction: Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost [O] . Peter C. St. John, Yanfei Guan, Yeonjoon Kim, -1

机译：出版商更正：预测接近化学准确度的有机均裂键解离焓并具有亚秒级的计算成本
7. Enthalpies of solution and enthalpies of solvation of organic solutes in ethylene glycol at 298.15 K: Prediction and analysis of intermolecular interaction contributions [O] . Mikhail A. Stolov, Ksenia V. Zaitseva, Mikhail A. Varfolomeev, 2017

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8. Enthalpies of Formation of Gas Phase N3, N3(-), N3(+), and N5(-) from Ab Initio Molecular Orbital Theory, Stability Predictions for N5(+) N3(-) and N5(+) N5(-), and Experimental Evidence for the Instability of N5(+) N3(-) [R] . Dixon, D. A. , Feller, D. , Christe, K. O. , 2003

机译：从ab initio分子轨道理论中形成气相N3，N3（ - ），N3（+）和N5（ - ）的焓，N5（+）N3（ - ）和N5（+）N5（ - ）的稳定性预测和N5（+）N3（ - ）不稳定的实验证据

Prediction of enthalpy for nitrogen gas

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