Competitive adsorption characteristics of CH4/C2H6 gas mixtures on model substances, coal and shale

Fuel ◽  
2020 ◽  
Vol 279 ◽  
pp. 118038 ◽  
Author(s):  
Peng Liu ◽  
Xiaofeng Wang ◽  
Xiaofu Li ◽  
Ting Zhang ◽  
Guichao Du ◽  
...  
Keyword(s):  
Competitive Adsorption ◽  
Gas Mixtures ◽  
Adsorption Characteristics ◽  
Model Substances

scholarly journals Molecular simulation of gases competitive adsorption in lignite and analysis of original CO desorption

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Jing Zhang ◽  
Jiren Wang ◽  
Chunhua Zhang ◽  
Zongxiang Li ◽  
Jinchao Zhu ◽  
...  
Keyword(s):  
Adsorption Capacity ◽  
Molecular Simulation ◽  
Competitive Adsorption ◽  
Air Leakage ◽  
Adsorption Characteristics ◽  
Adsorption Sites ◽  
Simulation Based ◽  
Lignite Coal ◽  
Model C ◽  
Grand Canonical

AbstractTo study the adsorption characteristics of CO, CO2, N2, O2, and their binary-components in lignite coal, reveal the influence of CO2 or N2 injection and air leakage on the desorption of CO in goafs, a lignite model (C206H206N2O44) was established, and the supercell structure was optimized under temperatures of 288.15–318.15 K for molecular simulation. Based on molecular dynamics, the Grand Canonical Monte Carlo method was used to simulate the adsorption characteristics and the Langmuir equation was used to fit the adsorption isotherms of gases. The results show that for single-components, the order of adsorption capacity is CO2 > CO > O2 > N2. For binary-components, the competitive adsorption capacities of CO2 and CO are approximate. In the low-pressure zone, the competitive adsorption capacity of CO2 is stronger than that of CO, and the CO is stronger than N2 or O2. From the simulation, it can be seen that CO2, N2 or O2 will occupy adsorption sites, causing CO desorption. Therefore, to prevent the desorption of the original CO in the goaf, it is not suitable to use CO2 or N2 injection for fire prevention, and the air leakage at the working faces need to be controlled.

Study on the Removal of Pb2+, Cu2+, and Cd2+ from Wastewater Using Modified Stilbite

2016 ◽  
Vol 852 ◽  
pp. 1342-1348
Author(s):  
Xi Chen ◽  
Tian Shun Cui ◽  
Shuang Zhao ◽  
Xiao Jun Deng
Keyword(s):  
Heavy Metals ◽  
Competitive Adsorption ◽  
Adsorption Rate ◽  
Isothermal Adsorption ◽  
Adsorption Time ◽  
Adsorption Characteristics ◽  
Static Conditions ◽  
The Impact

In this study, we studied the ability of modified Stilbite to adsorb heavy metals Pb2+, Cu2+, and Cd2+ from wastewater. In static conditions, we investigated the impact of pH, temperature, dosage, and the competitive adsorption characteristics of the modified Stilbite in addressing pollution of wastewater with Pb2+, Cu2+, Cd2+. The testing showed that: under normal circumstances, with a pH between 5-6, a dosage of 0.7 g, and an adsorption time of 90 minutes, the adsorption rate of the three metals was above 90%. The adsorption rate of Cu was greater than Pb, which was greater than Cd. The modified Stilbite adsorption of the three metals met Langmuir and Freundlich isothermal adsorption equations. The study also revealed that regenerated Stilbite, after adsorption, can still continue to be used for adsorption of heavy metals.

scholarly journals Numerical Simulation of Adsorption of Organic Inhibitors on C-S-H Gel

Crystals ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 742
Author(s):  
Zijian Song ◽  
Huanchun Cai ◽  
Qingyang Liu ◽  
Xing Liu ◽  
Qi Pu ◽  
...  
Keyword(s):  
Competitive Adsorption ◽  
Cement Hydration ◽  
Grand Canonical Monte Carlo ◽  
Binding Ability ◽  
Liquid Environment ◽  
Adsorption Characteristics ◽  
Organic Inhibitors ◽  
Gcmc Simulations ◽  
Molecule Dynamics ◽  
Grand Canonical

Corrosion inhibitors are one of the most effective anticorrosion techniques in reinforced concrete structures. Molecule dynamics (MD) was usually utilized to simulate the interaction between the inhibitor molecules and the surface of Fe to evaluate the inhibition effect, ignoring the influence of cement hydration products. In this paper, the adsorption characteristics of five types of common alkanol-amine inhibitors on C-S-H gel in the alkaline liquid environment were simulated via the MD and the grand canonical Monte Carlo (GCMC) methods. It is found that, in the MD system, the liquid phase environment had a certain impact on the adsorption configuration of compounds. According to the analysis of the energy, the binding ability of MEA on the surface of the C-S-H gel was the strongest. In the GCMC system, the adsorption of MEA was the largest at the same temperature. Furthermore, for the competitive adsorption in the GCMC system, the adsorption characteristics of the inhibitors on the C-S-H gel were to follow the order: MEA>DEA>TEA>NDE>DETA. Both MD and GCMC simulations confirmed that the C-S-H gel would adsorb the organic inhibitors to a different extent, which might have a considerable influence on the organic inhibitors to exert their inhibition effects.

Sign in / Sign up

Export Citation Format

Share Document