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Updated: Jun 20, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

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纯1-醇单体系统的自我扩散和切割粘度:分子动力学模拟和实验数据的审查

Adnan Jaradat1, Rakan Al-Salman1, Abdalla Obeidat1

  • 1Department of Physics, Jordan University of Science and Technology Irbid Jordan aobeidat@just.edu.jo.

RSC advances
|July 23, 2024
PubMed
概括

分子动力学模拟准确地预测了1-醇液体的运输特性. 该研究比较了力场和方法,为这些系统验证了斯托克斯-爱因斯坦方程.

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Thus far, the ideal gas law, PV = nRT, has been applied to a variety of different types of problems, ranging from reaction stoichiometry and empirical and molecular formula problems to determining the density and molar mass of a gas. However, the behavior of a gas is often non-ideal, meaning that the observed relationships between its pressure, volume, and temperature are not accurately described by the gas laws. 
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