Improved Inheritance Algorithm for the Assembly of Coal Fragments

Abstract

There are many methods to simulate coal structure that might be beneficial to coal technologies. However, they often suffer from producing an impractical structure and a large calculation time and could not be applied to most rank coal. Hence, the hybrid inheritance algorithms combined with Elitist strategy (HIA-ES) and Monte Carlo and Elitist Strategy (HIA-MC-ES) are proposed to simulate the coal structure. The reported fragment structures of the coal macromolecule are summarized, and the fragment structure is accurately quantified with an adjacency matrix, an atom identification vector, bonding parameters, a bond characteristic index, and a functional group characteristic parameter, respectively. The humic acid (HA) is used to test the effectiveness of two algorithms since HA has the similar fragment structures with coal. With the use of the method of HIA-ES, the numbers of fragment structures is gained. Then, the parameters of the simulated structures are obtained with the HIA-MC-ES method. Simulated HA and Shenfu coal structures are highly similar with the reported results, indicating that the two novel hybrid inheritance algorithms are effective to simulate a molecular structure for the most rank coal.

Investigate the Adsorption Behavior of CO2on Char–Inorganic Compound Model for Coal Gasification

“…A serial of polyaromatic hydrocarbon molecule was proposed to represent the coal char structure, as shown in Figure . In addition, the view of coal fragment structure was presented to describe the coal macromolecular structure . Therefore, the char structure was assembled with the view of fragment structure based on structures as shown in Figure .…”

“…In addition, the view of coal fragment structure was presented to describe the coal macromolecular structure. 23 Therefore, the char structure was assembled with the view of fragment structure based on structures as shown in Figure 1.…”