Predicting Thermodynamic Properties of PBXTHs with New Quantum Topological Indexes

Fangzhu Xiao1, Guowen Peng2, Changming Nie2

  • 1School of Public Health, University of South China, Hengyang 421001, China.

Plos One
|February 23, 2016
PubMed

Related Concept Videos

Thermodynamic Potentials01:26

Thermodynamic Potentials

Thermodynamic potentials are state functions that are extremely useful in analyzing a thermodynamic system. They have dimensions of energy. The four important thermodynamic potentials are internal energy, enthalpy, Helmholtz free energy, and Gibbs free energy. These thermodynamic potentials can be expressed using two of the following variables: pressure, volume, temperature, and entropy. These two variables are expressed as the rate of change of the thermodynamic potential with respect to other...
1.8K
Thermodynamic Properties of Ideal Solutions01:19

Thermodynamic Properties of Ideal Solutions

For an ideal liquid solution, the standard state of each component is defined as the pure liquid at the temperature and pressure of the solution. Similarly, for solid solutions, the standard state is the pure solid. The chemical potentials of the components in the ideal solution are compared to the chemical potentials of the pure substances in their standard states. These standard states provide a reference point for calculating the thermodynamic properties of ideal solutions.For ideal...
44
Thermodynamics: Chemical Potential and Activity01:10

Thermodynamics: Chemical Potential and Activity

The effective concentration of a species in a solution can be expressed precisely in terms of its activity. Activity considers the effect of electrolytes present in the vicinity of the species of interest and depends on the ionic strength of the solution. The activity of a species is expressed as the product of molar concentration and the activity coefficient of the species.
The thermodynamic equilibrium constant is more accurately defined in terms of activity rather than concentration.
2.0K
Phase Diagrams of Ternary Systems01:28

Phase Diagrams of Ternary Systems

Consider a ternary system, which is composed of three components: water (W), ethanoic acid (E), and trichloromethane (T). Here, Ethanoic acid (E) is fully miscible with both water (W) and trichloromethane (T), meaning it can mix entirely with either of them. However, water and trichloromethane have partial miscibility, meaning they can only mix to a certain extent, beyond which two separate phases will form.The phase diagram of a ternary system is represented as an equilateral triangle, where...
61
Hückel's Rule Diagram of π MOs: Frost Circle01:08

Hückel's Rule Diagram of π MOs: Frost Circle

The Frost circle or the inscribed polygon method is a graphical method for determining the relative energies of π molecular orbitals (MOs) for planar, fully conjugated, and monocyclic compounds. This method was first described by A. A. Frost and Boris Musulin in 1953.
A Frost circle is constructed by drawing a polygon whose number of edges is equal to the number of carbons of the given cyclic system, with one of the vertices pointing down. Then, a circle is drawn enclosing the polygon so that...
6.2K
Path Between Thermodynamics States01:21

Path Between Thermodynamics States

Consider the two thermodynamic processes involving an ideal gas that are represented by paths AC and ABC in Figure 1:
5.0K