Shiwang Gao
Research Subjects
Shiwang Gao has a total of 18 co-authors. Here are the top co-authors by number of shared publications:
- Lianbo Liu
Beijing Key Laboratory of CO2 Capture and Process, Beijing 100084, China
3 shared publications - Chuanzhao Zhang
College of Biochemical Engineering, Beijing Union University, Beijing 100101, China
2 shared publications - Shiqing Wang
Huaneng Clean Energy Research Institute, Beijing 102209, China
2 shared publications - Xiaolong Qiu
Huaneng Clean Energy Research Institute, Beijing 102209, China
2 shared publications - Xiong Yang
School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, China
2 shared publications - Xu Jiang
Xinjiang Petroleum Engineering Co., Ltd., Karamay 834000, China
2 shared publications
Latest Publications
- Open Access
Molecular Simulation of Adsorption of CO2 from a Combustion Exhaust Mixture of Zeolites with Different Topological Structures
In this work, a molecular simulation method was used to study the adsorption of seven combustion products (CO2, H2O, SO2, N2, O2, NO and NO2) on three zeolites with different topological structures (4A, MIF and MOR). Adsorption isotherms of pure components and mixtures at a wide range of temperatures (253–333 K) were calculated using the Monte Carlo method, obtaining equilibrium parameters including the adsorption capacity, adsorption heat and energy distribution. The calculation results indicated that 4A zeolite with more micropores has a stronger adsorption performance for CO2. The presence of water significantly reduced the CO2 capture efficiency of the three zeolites, and the CO2 adsorption amount decreased by more than 80%. Adsorption kinetics was studied using the molecular dynamic (MD) method, MFI and MOR, with channel-type pore structures exhibiting stronger gas diffusion performance, though their separation efficiency was not high. A 4A zeolite has the potential for kinetic separation of CO2.
Open AccessMolecular Simulation of Adsorption of CO2 from a Combustion Exhaust Mixture of Zeolites with Different Topological Structures
In this work, a molecular simulation method was used to study the adsorption of seven combustion products (CO2, H2O, SO2, N2, O2, NO and NO2) on three zeolites with different topological structures (4A, MIF and MOR). Adsorption isotherms of pure components and mixtures at a wide range of temperatures (253–333 K) were calculated using the Monte Carlo method, obtaining equilibrium parameters including the adsorption capacity, adsorption heat and energy distribution. The calculation results indicated that 4A zeolite with more micropores has a stronger adsorption performance for CO2. The presence of water significantly reduced the CO2 capture efficiency of the three zeolites, and the CO2 adsorption amount decreased by more than 80%. Adsorption kinetics was studied using the molecular dynamic (MD) method, MFI and MOR, with channel-type pore structures exhibiting stronger gas diffusion performance, though their separation efficiency was not high. A 4A zeolite has the potential for kinetic separation of CO2.
- Open Access
Molecular Simulation of Adsorption Separation of CO2 from Combustion Exhaust Mixture of Commercial Zeolites
The adsorption thermodynamics and kinetics of CO2 and six combustion products (H2O, SO2, N2, O2, NO and NO2) of two most commonly used commercial zeolites (13X and 5A) were studied based on validated molecular simulations. Adsorption isotherms at wide range of temperatures (253–333 K) were fitted by a Langmuir model, obtaining equilibrium parameters including the adsorption capacity, strength, heterogeneity and CO2 selectivity from the mixture. The diffusion coefficients, isosteric adsorption heats and distributions of potential energy were simulated for further explanation. The comprehensive evaluation results suggest that, in actual combustion product mixtures, the presence of H2O in combustion products has a significant impact on CO2 capture efficiency. Under the influence of water, the adsorption capacity of CO2 was reduced by over 80%.
Open AccessMolecular Simulation of Adsorption Separation of CO2 from Combustion Exhaust Mixture of Commercial Zeolites
The adsorption thermodynamics and kinetics of CO2 and six combustion products (H2O, SO2, N2, O2, NO and NO2) of two most commonly used commercial zeolites (13X and 5A) were studied based on validated molecular simulations. Adsorption isotherms at wide range of temperatures (253–333 K) were fitted by a Langmuir model, obtaining equilibrium parameters including the adsorption capacity, strength, heterogeneity and CO2 selectivity from the mixture. The diffusion coefficients, isosteric adsorption heats and distributions of potential energy were simulated for further explanation. The comprehensive evaluation results suggest that, in actual combustion product mixtures, the presence of H2O in combustion products has a significant impact on CO2 capture efficiency. Under the influence of water, the adsorption capacity of CO2 was reduced by over 80%.
- Open Access
Investigating the Influence of Pore Shape on Shale Gas Recovery with CO2 Injection Using Molecular Simulation
Carbon-dioxide-enhanced shale gas recovery technology has significant potential for large-scale emissions reduction and can help achieve carbon neutrality targets. Previous theoretical studies mainly focused on gas adsorption in one-dimensional pores without considering the influence from the pore geometry. This study evaluates the effects of pore shape on shale gas adsorption. The pure and competitive gas adsorption processes of CO2 and CH4 in nanopores were investigated using molecular simulations to improve the prediction of shale gas recovery efficiency. Meanwhile, quantitative analysis was conducted on the effects of the pore shape on the CO2-EGR efficiency. The results indicate that the density of the adsorption layer in pores is equally distributed in the axial direction when the cone angle is zero; however, when the cone angle is greater than zero, the density of the adsorption layer decreases. Smaller cone-angle pores have stronger gas adsorption affinities, making it challenging to recover the adsorbed CH4 during the pressure drawdown process. Concurrently, this makes the CO2 injection method, based on competitive adsorption, efficient. For pores with larger cone angles, the volume occupied by the free gas is larger; thus, the pressure drawdown method displays relatively high recovery efficiency.
Open AccessInvestigating the Influence of Pore Shape on Shale Gas Recovery with CO2 Injection Using Molecular Simulation
Carbon-dioxide-enhanced shale gas recovery technology has significant potential for large-scale emissions reduction and can help achieve carbon neutrality targets. Previous theoretical studies mainly focused on gas adsorption in one-dimensional pores without considering the influence from the pore geometry. This study evaluates the effects of pore shape on shale gas adsorption. The pure and competitive gas adsorption processes of CO2 and CH4 in nanopores were investigated using molecular simulations to improve the prediction of shale gas recovery efficiency. Meanwhile, quantitative analysis was conducted on the effects of the pore shape on the CO2-EGR efficiency. The results indicate that the density of the adsorption layer in pores is equally distributed in the axial direction when the cone angle is zero; however, when the cone angle is greater than zero, the density of the adsorption layer decreases. Smaller cone-angle pores have stronger gas adsorption affinities, making it challenging to recover the adsorbed CH4 during the pressure drawdown process. Concurrently, this makes the CO2 injection method, based on competitive adsorption, efficient. For pores with larger cone angles, the volume occupied by the free gas is larger; thus, the pressure drawdown method displays relatively high recovery efficiency.