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Sun, Y., Yang, G., Xu, M., Xu, J., & Sun, Z. (2019). A simple coupled ANNs‐RSM approach in modeling product distribution of Fischer‐Tropsch synthesis using a microchannel reactor with Ru‐promoted Co/Al2O3 catalyst. International Journal of Energy Research, 44(2), 1046-1061. https://doi.org/10.1002/er.4990

A novel municipal solid waste (MSW)-based power generation system was proposed in this study, which consists of a bubbling fluidized-bed (BFB)-plasma gasification unit, a high-temperature solid oxide fuel cell (SOFC), a chemical looping combustion (CLC) unit and a heat recovery unit. Process simulation was conducted using Aspen PlusTM and validated by literature data. The energetic and exergetic assessment of the proposed system showed that the net electrical efficiency and exergy efficiency reached 40.9 % and 36.1 %, respectively with 99.3 % of carbon dioxide being captured. It was found that the largest exergy destruction took place in the BFB-Plasma gasification unit (476.5 kW) and accounted for 33.6 % of the total exergy destruction, which is followed by the SOFC (219.1 kW) and then CLC (208.6 kW). Moreover, the effects of key variables, such as steam to fuel ratio (STFR), fuel utilization factor (Uf), current density and air reactor operating temperature, etc., on system performance were carried out and revealed that the system efficiency could be optimized under STFR = 0.5, Uf = 0.8 and air reactor operating temperature of 1000 ºC. Furthermore, the proposed process demonstrated more than 14% improvement in net electrical efficiency in comparison with other MSW incineration and/or gasification to power processes.

This research is focused on the gasification performance of coal and its corresponding macerals as well as on the interactions among macerals under typical gasification conditions by Aspen Plus modeling. The synergistic coefficient was employed to show the degree of interactions, while the performance indicators including specific oxygen consumption (SOC), specific coal consumption (SCC), cold gas efficiency (CGE), and effective syngas (CO + H2) content were used to evaluate the gasification process. Sensitivity analyses showed that the parent coal and its macerals exhibited different gasification behaviors at the same operating conditions, such as the SOC and SCC decreased in the order of inertinite > vitrinite > liptinite, whereas CGE changed in the order of liptinite > vitrinite > inertinite. The synergistic coefficients of SOC and SCC for the simulated coals were in the range of 0.94–0.97, whereas the synergistic coefficient of CGE was 1.05–1.13. Moreover, it was found that synergistic coefficients of gasification indicators correlated well with maceral contents. In addition, the increase in temperature was found to promote the synergistic coefficients slightly, whilst at an oxygen to coal mass ratio of 0.8 and a steam to coal mass ratio of 0.8, the highest synergistic coefficient was obtained.

The space within the interlayer of 2-dimensional (2D) nanosheets provides new and intriguing confined environments for molecular interactions. However, atomic level understanding of the adsorption mechanism of CO2 confined within the interlayer of 2D nanosheets is still limited. Herein, we present a comparative study of the adsorption mechanisms of CO2 confined within graphene–molybdenum disulfide (MoS2) nanosheets using density functional theory (DFT). A comprehensive analysis of CO2 adsorption energies (EAE) at various interlayer spacings of different multilayer structures comprising graphene/graphene (GrapheneB) and MoS2/MoS2 (MoS2B) bilayers as well as graphene/MoS2 (GMoS2) and MoS2/graphene (MoS2G) hybrids is performed to obtain the most stable adsorption configurations. It was found that 7.5 Å and 8.5 Å interlayer spacings are the most stable conformations for CO2 adsorption on the bilayer and hybrid structures, respectively. Adsorption energies of the multilayer structures decreased in the following trend: MoS2B > GrapheneB > MoS2G > GMoS2. By incorporating van der Waals (vdW) interactions between the CO2 molecule and the surfaces, we find that CO2 binds more strongly on these multilayer structures. Furthermore, there is a slight discrepancy in the binding energies of CO2 adsorption on the heterostructures (GMoS2, MoS2G) due to the modality of the atom arrangement (C–Mo–S–O and Mo–S–O–C) in both structures, indicating that conformational anisotropy determines to a certain degree its CO2 adsorption energy. Meanwhile, Bader charge analysis shows that the interaction between CO2 and these surfaces causes charge transfer and redistributions. By contrast, the density of states (DOS) plots show that CO2 physisorption does not have a substantial effect on the electronic properties of graphene and MoS2. In summary, the results obtained in this study could serve as useful guidance in the preparation of graphene–MoS2 nanosheets for the improved adsorption efficiency of

A novel municipal solid waste (MSW)-based power generation system was proposed in this study, which consists of a bubbling fluidized-bed (BFB)-plasma gasification unit, a high-temperature solid oxide fuel cell (SOFC), a chemical looping combustion (CLC) unit and a heat recovery unit. Process simulation was conducted using Aspen PlusTM and validated by literature data. The energetic and exergetic assessment of the proposed system showed that the net electrical efficiency and exergy efficiency reached 40.9 % and 36.1 %, respectively with 99.3 % of carbon dioxide being captured. It was found that the largest exergy destruction took place in the BFB-Plasma gasification unit (476.5 kW) and accounted for 33.6 % of the total exergy destruction, which is followed by the SOFC (219.1 kW) and then CLC (208.6 kW). Moreover, the effects of key variables, such as steam to fuel ratio (STFR), fuel utilization factor (Uf), current density and air reactor operating temperature, etc., on system performance were carried out and revealed that the system efficiency could be optimized under STFR = 0.5, Uf = 0.8 and air reactor operating temperature of 1000 ºC. Furthermore, the proposed process demonstrated more than 14% improvement in net electrical efficiency in comparison with other MSW incineration and/or gasification to power processes.

This research is focused on the gasification performance of coal and its corresponding macerals as well as on the interactions among macerals under typical gasification conditions by Aspen Plus modeling. The synergistic coefficient was employed to show the degree of interactions, while the performance indicators including specific oxygen consumption (SOC), specific coal consumption (SCC), cold gas efficiency (CGE), and effective syngas (CO + H2) content were used to evaluate the gasification process. Sensitivity analyses showed that the parent coal and its macerals exhibited different gasification behaviors at the same operating conditions, such as the SOC and SCC decreased in the order of inertinite > vitrinite > liptinite, whereas CGE changed in the order of liptinite > vitrinite > inertinite. The synergistic coefficients of SOC and SCC for the simulated coals were in the range of 0.94–0.97, whereas the synergistic coefficient of CGE was 1.05–1.13. Moreover, it was found that synergistic coefficients of gasification indicators correlated well with maceral contents. In addition, the increase in temperature was found to promote the synergistic coefficients slightly, whilst at an oxygen to coal mass ratio of 0.8 and a steam to coal mass ratio of 0.8, the highest synergistic coefficient was obtained.

The space within the interlayer of 2-dimensional (2D) nanosheets provides new and intriguing confined environments for molecular interactions. However, atomic level understanding of the adsorption mechanism of CO2 confined within the interlayer of 2D nanosheets is still limited. Herein, we present a comparative study of the adsorption mechanisms of CO2 confined within graphene–molybdenum disulfide (MoS2) nanosheets using density functional theory (DFT). A comprehensive analysis of CO2 adsorption energies (EAE) at various interlayer spacings of different multilayer structures comprising graphene/graphene (GrapheneB) and MoS2/MoS2 (MoS2B) bilayers as well as graphene/MoS2 (GMoS2) and MoS2/graphene (MoS2G) hybrids is performed to obtain the most stable adsorption configurations. It was found that 7.5 Å and 8.5 Å interlayer spacings are the most stable conformations for CO2 adsorption on the bilayer and hybrid structures, respectively. Adsorption energies of the multilayer structures decreased in the following trend: MoS2B > GrapheneB > MoS2G > GMoS2. By incorporating van der Waals (vdW) interactions between the CO2 molecule and the surfaces, we find that CO2 binds more strongly on these multilayer structures. Furthermore, there is a slight discrepancy in the binding energies of CO2 adsorption on the heterostructures (GMoS2, MoS2G) due to the modality of the atom arrangement (C–Mo–S–O and Mo–S–O–C) in both structures, indicating that conformational anisotropy determines to a certain degree its CO2 adsorption energy. Meanwhile, Bader charge analysis shows that the interaction between CO2 and these surfaces causes charge transfer and redistributions. By contrast, the density of states (DOS) plots show that CO2 physisorption does not have a substantial effect on the electronic properties of graphene and MoS2. In summary, the results obtained in this study could serve as useful guidance in the preparation of graphene–MoS2 nanosheets for the improved adsorption efficiency of

This research is focused on the gasification performance of coal and its corresponding macerals as well as on the interactions among macerals under typical gasification conditions by Aspen Plus modeling. The synergistic coefficient was employed to show the degree of interactions, while the performance indicators including specific oxygen consumption (SOC), specific coal consumption (SCC), cold gas efficiency (CGE), and effective syngas (CO + H2) content were used to evaluate the gasification process. Sensitivity analyses showed that the parent coal and its macerals exhibited different gasification behaviors at the same operating conditions, such as the SOC and SCC decreased in the order of inertinite > vitrinite > liptinite, whereas CGE changed in the order of liptinite > vitrinite > inertinite. The synergistic coefficients of SOC and SCC for the simulated coals were in the range of 0.94–0.97, whereas the synergistic coefficient of CGE was 1.05–1.13. Moreover, it was found that synergistic coefficients of gasification indicators correlated well with maceral contents. In addition, the increase in temperature was found to promote the synergistic coefficients slightly, whilst at an oxygen to coal mass ratio of 0.8 and a steam to coal mass ratio of 0.8, the highest synergistic coefficient was obtained.

A novel municipal solid waste (MSW)-based power generation system was proposed in this study, which consists of a bubbling fluidized-bed (BFB)-plasma gasification unit, a high-temperature solid oxide fuel cell (SOFC), a chemical looping combustion (CLC) unit and a heat recovery unit. Process simulation was conducted using Aspen PlusTM and validated by literature data. The energetic and exergetic assessment of the proposed system showed that the net electrical efficiency and exergy efficiency reached 40.9 % and 36.1 %, respectively with 99.3 % of carbon dioxide being captured. It was found that the largest exergy destruction took place in the BFB-Plasma gasification unit (476.5 kW) and accounted for 33.6 % of the total exergy destruction, which is followed by the SOFC (219.1 kW) and then CLC (208.6 kW). Moreover, the effects of key variables, such as steam to fuel ratio (STFR), fuel utilization factor (Uf), current density and air reactor operating temperature, etc., on system performance were carried out and revealed that the system efficiency could be optimized under STFR = 0.5, Uf = 0.8 and air reactor operating temperature of 1000 ºC. Furthermore, the proposed process demonstrated more than 14% improvement in net electrical efficiency in comparison with other MSW incineration and/or gasification to power processes.

The space within the interlayer of 2-dimensional (2D) nanosheets provides new and intriguing confined environments for molecular interactions. However, atomic level understanding of the adsorption mechanism of CO2 confined within the interlayer of 2D nanosheets is still limited. Herein, we present a comparative study of the adsorption mechanisms of CO2 confined within graphene–molybdenum disulfide (MoS2) nanosheets using density functional theory (DFT). A comprehensive analysis of CO2 adsorption energies (EAE) at various interlayer spacings of different multilayer structures comprising graphene/graphene (GrapheneB) and MoS2/MoS2 (MoS2B) bilayers as well as graphene/MoS2 (GMoS2) and MoS2/graphene (MoS2G) hybrids is performed to obtain the most stable adsorption configurations. It was found that 7.5 Å and 8.5 Å interlayer spacings are the most stable conformations for CO2 adsorption on the bilayer and hybrid structures, respectively. Adsorption energies of the multilayer structures decreased in the following trend: MoS2B > GrapheneB > MoS2G > GMoS2. By incorporating van der Waals (vdW) interactions between the CO2 molecule and the surfaces, we find that CO2 binds more strongly on these multilayer structures. Furthermore, there is a slight discrepancy in the binding energies of CO2 adsorption on the heterostructures (GMoS2, MoS2G) due to the modality of the atom arrangement (C–Mo–S–O and Mo–S–O–C) in both structures, indicating that conformational anisotropy determines to a certain degree its CO2 adsorption energy. Meanwhile, Bader charge analysis shows that the interaction between CO2 and these surfaces causes charge transfer and redistributions. By contrast, the density of states (DOS) plots show that CO2 physisorption does not have a substantial effect on the electronic properties of graphene and MoS2. In summary, the results obtained in this study could serve as useful guidance in the preparation of graphene–MoS2 nanosheets for the improved adsorption efficiency of

This research is focused on the gasification performance of coal and its corresponding macerals as well as on the interactions among macerals under typical gasification conditions by Aspen Plus modeling. The synergistic coefficient was employed to show the degree of interactions, while the performance indicators including specific oxygen consumption (SOC), specific coal consumption (SCC), cold gas efficiency (CGE), and effective syngas (CO + H2) content were used to evaluate the gasification process. Sensitivity analyses showed that the parent coal and its macerals exhibited different gasification behaviors at the same operating conditions, such as the SOC and SCC decreased in the order of inertinite > vitrinite > liptinite, whereas CGE changed in the order of liptinite > vitrinite > inertinite. The synergistic coefficients of SOC and SCC for the simulated coals were in the range of 0.94–0.97, whereas the synergistic coefficient of CGE was 1.05–1.13. Moreover, it was found that synergistic coefficients of gasification indicators correlated well with maceral contents. In addition, the increase in temperature was found to promote the synergistic coefficients slightly, whilst at an oxygen to coal mass ratio of 0.8 and a steam to coal mass ratio of 0.8, the highest synergistic coefficient was obtained.

A novel municipal solid waste (MSW)-based power generation system was proposed in this study, which consists of a bubbling fluidized-bed (BFB)-plasma gasification unit, a high-temperature solid oxide fuel cell (SOFC), a chemical looping combustion (CLC) unit and a heat recovery unit. Process simulation was conducted using Aspen PlusTM and validated by literature data. The energetic and exergetic assessment of the proposed system showed that the net electrical efficiency and exergy efficiency reached 40.9 % and 36.1 %, respectively with 99.3 % of carbon dioxide being captured. It was found that the largest exergy destruction took place in the BFB-Plasma gasification unit (476.5 kW) and accounted for 33.6 % of the total exergy destruction, which is followed by the SOFC (219.1 kW) and then CLC (208.6 kW). Moreover, the effects of key variables, such as steam to fuel ratio (STFR), fuel utilization factor (Uf), current density and air reactor operating temperature, etc., on system performance were carried out and revealed that the system efficiency could be optimized under STFR = 0.5, Uf = 0.8 and air reactor operating temperature of 1000 ºC. Furthermore, the proposed process demonstrated more than 14% improvement in net electrical efficiency in comparison with other MSW incineration and/or gasification to power processes.

The space within the interlayer of 2-dimensional (2D) nanosheets provides new and intriguing confined environments for molecular interactions. However, atomic level understanding of the adsorption mechanism of CO2 confined within the interlayer of 2D nanosheets is still limited. Herein, we present a comparative study of the adsorption mechanisms of CO2 confined within graphene–molybdenum disulfide (MoS2) nanosheets using density functional theory (DFT). A comprehensive analysis of CO2 adsorption energies (EAE) at various interlayer spacings of different multilayer structures comprising graphene/graphene (GrapheneB) and MoS2/MoS2 (MoS2B) bilayers as well as graphene/MoS2 (GMoS2) and MoS2/graphene (MoS2G) hybrids is performed to obtain the most stable adsorption configurations. It was found that 7.5 Å and 8.5 Å interlayer spacings are the most stable conformations for CO2 adsorption on the bilayer and hybrid structures, respectively. Adsorption energies of the multilayer structures decreased in the following trend: MoS2B > GrapheneB > MoS2G > GMoS2. By incorporating van der Waals (vdW) interactions between the CO2 molecule and the surfaces, we find that CO2 binds more strongly on these multilayer structures. Furthermore, there is a slight discrepancy in the binding energies of CO2 adsorption on the heterostructures (GMoS2, MoS2G) due to the modality of the atom arrangement (C–Mo–S–O and Mo–S–O–C) in both structures, indicating that conformational anisotropy determines to a certain degree its CO2 adsorption energy. Meanwhile, Bader charge analysis shows that the interaction between CO2 and these surfaces causes charge transfer and redistributions. By contrast, the density of states (DOS) plots show that CO2 physisorption does not have a substantial effect on the electronic properties of graphene and MoS2. In summary, the results obtained in this study could serve as useful guidance in the preparation of graphene–MoS2 nanosheets for the improved adsorption efficiency of

A novel municipal solid waste (MSW)-based power generation system was proposed in this study, which consists of a bubbling fluidized-bed (BFB)-plasma gasification unit, a high-temperature solid oxide fuel cell (SOFC), a chemical looping combustion (CLC) unit and a heat recovery unit. Process simulation was conducted using Aspen PlusTM and validated by literature data. The energetic and exergetic assessment of the proposed system showed that the net electrical efficiency and exergy efficiency reached 40.9 % and 36.1 %, respectively with 99.3 % of carbon dioxide being captured. It was found that the largest exergy destruction took place in the BFB-Plasma gasification unit (476.5 kW) and accounted for 33.6 % of the total exergy destruction, which is followed by the SOFC (219.1 kW) and then CLC (208.6 kW). Moreover, the effects of key variables, such as steam to fuel ratio (STFR), fuel utilization factor (Uf), current density and air reactor operating temperature, etc., on system performance were carried out and revealed that the system efficiency could be optimized under STFR = 0.5, Uf = 0.8 and air reactor operating temperature of 1000 ºC. Furthermore, the proposed process demonstrated more than 14% improvement in net electrical efficiency in comparison with other MSW incineration and/or gasification to power processes.

This research is focused on the gasification performance of coal and its corresponding macerals as well as on the interactions among macerals under typical gasification conditions by Aspen Plus modeling. The synergistic coefficient was employed to show the degree of interactions, while the performance indicators including specific oxygen consumption (SOC), specific coal consumption (SCC), cold gas efficiency (CGE), and effective syngas (CO + H2) content were used to evaluate the gasification process. Sensitivity analyses showed that the parent coal and its macerals exhibited different gasification behaviors at the same operating conditions, such as the SOC and SCC decreased in the order of inertinite > vitrinite > liptinite, whereas CGE changed in the order of liptinite > vitrinite > inertinite. The synergistic coefficients of SOC and SCC for the simulated coals were in the range of 0.94–0.97, whereas the synergistic coefficient of CGE was 1.05–1.13. Moreover, it was found that synergistic coefficients of gasification indicators correlated well with maceral contents. In addition, the increase in temperature was found to promote the synergistic coefficients slightly, whilst at an oxygen to coal mass ratio of 0.8 and a steam to coal mass ratio of 0.8, the highest synergistic coefficient was obtained.

The space within the interlayer of 2-dimensional (2D) nanosheets provides new and intriguing confined environments for molecular interactions. However, atomic level understanding of the adsorption mechanism of CO2 confined within the interlayer of 2D nanosheets is still limited. Herein, we present a comparative study of the adsorption mechanisms of CO2 confined within graphene–molybdenum disulfide (MoS2) nanosheets using density functional theory (DFT). A comprehensive analysis of CO2 adsorption energies (EAE) at various interlayer spacings of different multilayer structures comprising graphene/graphene (GrapheneB) and MoS2/MoS2 (MoS2B) bilayers as well as graphene/MoS2 (GMoS2) and MoS2/graphene (MoS2G) hybrids is performed to obtain the most stable adsorption configurations. It was found that 7.5 Å and 8.5 Å interlayer spacings are the most stable conformations for CO2 adsorption on the bilayer and hybrid structures, respectively. Adsorption energies of the multilayer structures decreased in the following trend: MoS2B > GrapheneB > MoS2G > GMoS2. By incorporating van der Waals (vdW) interactions between the CO2 molecule and the surfaces, we find that CO2 binds more strongly on these multilayer structures. Furthermore, there is a slight discrepancy in the binding energies of CO2 adsorption on the heterostructures (GMoS2, MoS2G) due to the modality of the atom arrangement (C–Mo–S–O and Mo–S–O–C) in both structures, indicating that conformational anisotropy determines to a certain degree its CO2 adsorption energy. Meanwhile, Bader charge analysis shows that the interaction between CO2 and these surfaces causes charge transfer and redistributions. By contrast, the density of states (DOS) plots show that CO2 physisorption does not have a substantial effect on the electronic properties of graphene and MoS2. In summary, the results obtained in this study could serve as useful guidance in the preparation of graphene–MoS2 nanosheets for the improved adsorption efficiency of