基于总方程的微动力学模型的开发,以研究气相集群反应在广泛的压力和温度范围内

The ideal-gas equation, which is empirical, describes the behavior of gases by establishing relationships between their macroscopic properties. For example, Charles’ law states that volume and temperature are directly related. Gases, therefore, expand when heated at constant pressure. Although gas laws explain how the macroscopic properties change relative to one another, it does not explain the rationale behind it.

The kinetic molecular theory qualitatively explains the behaviors described by the various gas laws. The postulates of this theory may be applied in a more quantitative fashion to derive these individual laws.

Homogeneous Equilibria for Gaseous Reactions
For gas-phase reactions, the equilibrium constant may be expressed in terms of either the molar concentrations (Kc) or partial pressures (Kp) of the reactants and products. A relation between these two K values may be simply derived from the ideal gas equation and the definition of molarity. According to the ideal gas equation:

The word "gas" comes from the Flemish word meaning "chaos," first used to describe vapors by the chemist J. B. van Helmont. Consider a container filled with gas, with a continuous and random motion of molecules. During collisions, the velocity component parallel to the wall is unchanged, and the component perpendicular to the wall reverses direction but does not change in magnitude. If the molecule’s velocity changes in the x-direction, then its momentum is changed.

The test of the kinetic molecular theory (KMT) and its postulates is its ability to explain and describe the behavior of a gas. The various gas laws (Boyle’s, Charles’s, Gay-Lussac’s, Avogadro’s, and Dalton’s laws) can be derived from the assumptions of the KMT, which have led chemists to believe that the assumptions of the theory accurately represent the properties of gas molecules.

A mole is defined as the amount of any substance that contains as many molecules as there are atoms in exactly 12 grams of carbon-12. An Italian scientist Amedeo Avogadro (1776–1856) formed the  hypothesis that equal volumes of gas at equal pressure and temperature contain equal numbers of molecules, independent of the type of gas. Later, the hypothesis was developed to form the SI unit for measuring the amount of any substance.
The number of molecules in one mole is called...