精确计算分子的相互作用体积,用它们的3D网格模型来计算

Particles in a solid are tightly packed together (fixed shape) and often arranged in a regular pattern; in a liquid, they are close together with no regular arrangement (no fixed shape); in a gas, they are far apart with no regular arrangement (no fixed shape). Particles in a solid vibrate about fixed positions (cannot flow) and do not generally move in relation to one another; in a liquid, they move past each other (can flow) but remain in essentially constant contact; in a gas, they move...

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. 

Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.

Mesh analysis is a valuable method for simplifying circuit analysis using mesh currents as key circuit variables. Unlike nodal analysis, which focuses on determining unknown voltages, mesh analysis applies Kirchhoff's voltage law (KVL) to find unknown currents within a circuit. This method is particularly convenient in reducing the number of simultaneous equations that need to be solved.
A fundamental concept in mesh analysis is the definition of meshes and mesh currents. A mesh is a closed...

Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.

In mechanics, work is done on an object when the force acting on it displaces the object. In thermodynamics, work done on a system can be estimated when the system's volume changes during any thermodynamic process.
Consider a gas confined to a cylinder fitted with a movable piston at one end. If the gas expands from volume V1 to volume V2, it exerts a force on the piston, such that the piston moves by a distance dr.
The work done by the gas on the piston can be expressed as