Thermal and hydrodynamic properties of coronavirus at various temperature and pressure via molecular dynamics approach
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Thermal and hydrodynamic properties of coronavirus at various temperature and pressure via molecular dynamics approach Omid Malekahmadi1 · Akbar Zarei2 · Mohammad Behzad Botlani Esfahani2 · Maboud Hekmatifar3 · Roozbeh Sabetvand4 · Azam Marjani3 · Quang‑Vu Bach5 Received: 20 July 2020 / Accepted: 6 October 2020 © Akadémiai Kiadó, Budapest, Hungary 2020
Abstract COVID-19 is an epidemic virus arising from a freshly discovered coronavirus. Most people involved with the coronavirus will experience slight to moderate respiratory disease and recover without needing particular therapy. In this work, the atomic stability of the coronavirus at different thermodynamic properties such as temperature and pressure, was studied. For this purpose, the manner of this virus by atomic precession was described with a molecular dynamics approach. For the atomic stability of coronavirus description, physical properties such as temperature, total energy, volume variation, and atomic force of this structure were reported. In molecular dynamics approach, coronavirus is precisely simulated via S, O, N, and C atoms and performed Dreiding force field to describe these atoms interaction in the virus. Simulation results show that coronavirus stability has reciprocal relation with atomic temperature and pressure. Numerically, after 2.5 ns simulation, the potential energy varies from − 31,163 to − 26,041 eV by temperature changes from 300 to 400 K. Furthermore, this physical parameter decreases to − 28,045 eV rate at 300 K and 2 bar pressure. The volume of coronavirus is another crucial parameter to the stability description of this structure. The simulation shows that coronavirus volume 92% and 14% increases by 100 K and 2 bar variation of simulation temperature and pressure, respectively. Keywords Coronavirus · Molecular dynamic simulation · Temperature effect · Thermodynamic properties
Introduction COVID-19 is an epidemic virus arising from a freshly discovered coronavirus. Most people involved with the coronavirus will experience slight to moderate respiratory disease and recover without needing particular therapy. Historically, coronaviruses were reported in the 1930s for the first time * Quang‑Vu Bach [email protected] 1
Department of Mining and Metallurgical Engineering, Yazd University, Yazd, Iran
2
Department of Mechanical Engineering, Najafabad Branch, Islamic Azad University, Najafabad, Iran
3
Department of Mechanical Engineering, Khomeinishahr Branch, Islamic Azad University, Khomeinishahr, Iran
4
Department of Energy Engineering and Physics, Faculty of Condensed Matter Physics, Amirkabir University of Technology, Tehran, Iran
5
Institute of Research and Development, Duy Tan University, Danang 550000, Vietnam
when some infection bronchitis virus has appeared from domesticated chickens shown [1] (see Fig. 1). Working at nanoscales levels such as nanoparticles dispersed in the base fluid might help to investigate the virus configuration [2, 3] through the porous medium [4]. The structure of coronaviruse
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