On the accuracy of the Clausius-Clapeyron relation

Magomedov, M. N.

doi:10.1016/j.vacuum.2023.112494

Cited by 1 publication

(2 citation statements)

References 23 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The heat of adsorption is generated because the adsorbent jumps from the position of the higher energy level to the position of the lower energy level during the adsorption process, which leads to an energy transition within the system and manifests as the release of heat from the outside. This leads to an energy transition within the system and manifests itself in the release of external heat. , The unit of heat of adsorption obtained using the GCMC simulation method is kcal/mol, which must be multiplied by 4.186 to convert to kJ/mol.…”

Section: Models and Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Molecular Simulation of Thermodynamic Properties of CH₄/CO₂ Adsorption by Coal Molecules at Different Temperatures and Moisture Contents under Variable Pressure Conditions

Jia,

Wu,

2023

ACS Omega

View full text Add to dashboard Cite

In order to further elucidate the thermodynamic mechanism of CH 4 /CO 2 adsorption by coal molecules, the adsorption behavior of a molecular model of coal (C 206 H 128 O 36 N 2 ) at Wucaiwan, Zhundong was investigated by applying Materials Studio 2020 and Monte Carlo (GCMC) simulation methods, and the adsorption behavior of CH 4 and CO 2 was studied from the thermodynamic point of view under the conditions of different temperatures, pressures, and moisture contents. The results showed that at different temperatures or moisture contents, CH 4 molecules had a low-density scattering distribution and CO 2 molecules had a high-density polymerization distribution. Temperature and moisture content and adsorption constants a and b were negatively correlated. Under the same conditions, the relationship between single- and binary-component adsorption amounts was CO 2 > CH 4 and the relationship between heat of adsorption was CO 2 > CH 4 . When adsorption potential energy or entropy of adsorption was the same, the adsorption capacity was CO 2 > CH 4 . Temperatures and moisture contents were negatively correlated with the total adsorption capacity of CH 4 /CO 2 ; pressure was positively correlated with the total adsorption capacity of CH 4 /CO 2 . The effect of temperature on the equivalent heat of adsorption was greater than that of pressure at different temperatures, and the entropy of adsorption was positively correlated between temperature and CH 4 /CO 2 , while the amount of adsorption was negatively correlated with the entropy of adsorption. The effect of moisture content on the equivalent heat of adsorption was greater than that of pressure at different moisture contents, and the entropy of adsorption was negatively correlated between moisture content and amount of adsorption. The adsorption entropy of CH 4 /CO 2 was negatively correlated, and the adsorption amount was positively correlated to the adsorption entropy. At a temperature above 318 K or moisture content above 10%, the total CH 4 /CO 2 adsorption decreased significantly and the CO 2 adsorption decreased significantly. From a thermodynamic point of view, the presence of a large amount of H 2 O had a much greater effect on CO 2 than on CH 4 , and an increase in temperature or moisture content was unfavorable for CO 2 sequestration, CO 2 ...

show abstract

Section: Models and Methodsmentioning

confidence: 99%

“…This leads to an energy transition within the system and manifests itself in the release of external heat. 13 , 40 The unit of heat of adsorption obtained using the GCMC simulation method is kcal/mol, which must be multiplied by 4.186 to convert to kJ/mol.…”

Section: Models and Methodsmentioning

confidence: 99%

Molecular Simulation of Thermodynamic Properties of CH₄/CO₂ Adsorption by Coal Molecules at Different Temperatures and Moisture Contents under Variable Pressure Conditions

Jia,

Wu,

2023

ACS Omega

View full text Add to dashboard Cite

show abstract

On the accuracy of the Clausius-Clapeyron relation

Cited by 1 publication

References 23 publications

Molecular Simulation of Thermodynamic Properties of CH₄/CO₂ Adsorption by Coal Molecules at Different Temperatures and Moisture Contents under Variable Pressure Conditions

Molecular Simulation of Thermodynamic Properties of CH₄/CO₂ Adsorption by Coal Molecules at Different Temperatures and Moisture Contents under Variable Pressure Conditions

Contact Info

Product

Resources

About

On the accuracy of the Clausius-Clapeyron relation

Cited by 1 publication

References 23 publications

Molecular Simulation of Thermodynamic Properties of CH4/CO2 Adsorption by Coal Molecules at Different Temperatures and Moisture Contents under Variable Pressure Conditions

Molecular Simulation of Thermodynamic Properties of CH4/CO2 Adsorption by Coal Molecules at Different Temperatures and Moisture Contents under Variable Pressure Conditions

Contact Info

Product

Resources

About

Molecular Simulation of Thermodynamic Properties of CH₄/CO₂ Adsorption by Coal Molecules at Different Temperatures and Moisture Contents under Variable Pressure Conditions

Molecular Simulation of Thermodynamic Properties of CH₄/CO₂ Adsorption by Coal Molecules at Different Temperatures and Moisture Contents under Variable Pressure Conditions