碳化合物的温度依赖密度和粘度预测:机器学习和分子动力学模拟

Viscosity measures the resistance a fluid offers to flow and deformation. It results from internal friction between layers of fluid moving relative to one another. Dynamic viscosity, denoted by the Greek letter mu (μ), quantifies the force needed to move one fluid layer over another. For Newtonian fluids like water and air, the relationship between the shearing stress and the rate of shearing strain is linear, meaning their viscosity remains constant regardless of the applied stress.

The motion of molecules in a gas is random in magnitude and direction for individual molecules, but a gas of many molecules has a predictable distribution of molecular speeds. This predictable distribution of molecular speeds is known as the Maxwell-Boltzmann distribution. The distribution of molecular speeds in liquids is comparable to that of gases but not identical and can help to understand the phenomenon of the boiling and vapor pressure of a liquid. Consider that a molecule requires a...

The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ...

The vapor pressure of a fluid is a crucial concept in fluid mechanics, influencing phenomena such as boiling and cavitation. Vapor pressure refers to the pressure exerted by a vapor at a state of thermodynamic equilibrium with its corresponding liquid phase at a specific temperature. It represents the tendency of molecules to escape from the fluid surface into the vapor phase.
When a liquid is placed in a closed container with a small air space, and the space is evacuated, vapor molecules will...

Density, specific weight, specific gravity, and compressibility are fundamental properties of fluids. Density is the mass per unit volume, characterizing the mass of a fluid system. It influences buoyancy, pressure, flow dynamics, viscosity, thermal conductivity, and sound propagation. For instance, in pipeline design, accurate density measurements ensure that the pipeline can handle the fluid's mass.
Specific weight represents the weight per unit volume and is calculated by multiplying...

Surface Tension
The various IMFs between identical molecules of a substance are examples of cohesive forces. The molecules within a liquid are surrounded by other molecules and are attracted equally in all directions by the cohesive forces within the liquid. However, the molecules on the surface of a liquid are attracted only by about one-half as many molecules. Because of the unbalanced molecular attractions on the surface molecules, liquids contract to form a shape that minimizes the number...