In this work,we employ electronic structure calculations and nonadiabatic dynamics simulations based on many-body Green function and BetheSalpeter equation(GW/BSE)methods to study excited-state properties of a zinc ph...In this work,we employ electronic structure calculations and nonadiabatic dynamics simulations based on many-body Green function and BetheSalpeter equation(GW/BSE)methods to study excited-state properties of a zinc phthalocyanine-fullerene(ZnPcC_(60))dyad with 6-6 and 5-6 configurations.In the former,the initially populated locally excited(LE)state of ZnPc is the lowest S1 state and thus,its subsequent charge separation is relatively slow.In contrast,in the latter,the S1 state is the LE state of C_(60)while the LE state of ZnPc is much higher in energy.There also exist several charge-transfer(CT)states between the LE states of ZnPc and C_(60).Thus,one can see apparent charge separation dynamics during excited-state relaxation dynamics from the LE state of ZnPc to that of C_(60).These points are verified in dynamics simulations.In the first 200 fs,there is a rapid excitation energy transfer from ZnPc to C_(60),followed by an ultrafast charge separation to form a CT intermediate state.This process is mainly driven by hole transfer from C_(60)to ZnPc.The present work demonstrates that different bonding patterns(i.e.5-6 and 6-6)of the C−N linker can be used to tune excited-state properties and thereto optoelectronic properties of covalently bonded ZnPc-C_(60)dyads.Methodologically,it is proven that combined GW/BSE nonadiabatic dynamics method is a practical and reliable tool for exploring photoinduced dynamics of nonperiodic dyads,organometallic molecules,quantum dots,nanoclusters,etc.展开更多
We investigate the subsurface heat exchange process in EGS (enhanced geothermal systems) with a previously developed novel model. This model treats the porous heat reservoir as an equivalent porous medium of a singl...We investigate the subsurface heat exchange process in EGS (enhanced geothermal systems) with a previously developed novel model. This model treats the porous heat reservoir as an equivalent porous medium of a single porosity. However, it considers local thermal non-equilibrium between solid rock matrix and fluid flowing in the factures and employs two energy conservation equations to describe heat transfer in the rock matrix and in the fractures, respectively, enabling the modeling and analyses of convective heat exchange in the heat reservoir. Another salient feature of this model is its capability of simulating the complete subsurface heat exchange process in EGS. The EGS subsurface geometry of interest physically consists of multiple domains: open channels for injection and production wells, the artificial heat reservoir, and the rocks enclosing the heat reservoir, while computationally we treat it as a single-domain of multiple sub-regions associated with different sets of characteristic properties (porosity and permeability, etc.). This circumvents typical difficulties about matching boundary conditions between sub-domains in traditional multi-domain approaches and facilitates numerical implementation and simulation of the complete subsurface heat exchange process. This model is used to perform a comprehensive parametric study with respect to an imaginary doublet EGS. Effects of several parameters, including the permeability of heat reservoir, heat exchange coefficient in the heat reservoir, the specific area of fractures in the heat reservoir, and thermal compensation from surrounding rocks, on the heat extraction efficiency and EGS lifetime are analyzed.展开更多
This work discusses the combination of two thermodynamic cycles seeking to improve the overall chemical energy conversion rate into mechanical energy. Here one engine operates according a Rankine cycle in order to use...This work discusses the combination of two thermodynamic cycles seeking to improve the overall chemical energy conversion rate into mechanical energy. Here one engine operates according a Rankine cycle in order to use part of the thermal energy released to the boundary, i.e., the neighboring atmosphere. The analysis of this combined cycle shows that it might, under proper condition, represent a gain of 1.2% in the overall delivered engine power.展开更多
This paper refers to an integrated mCCHP (micro-combined cooling heat and power) systems dedicated for isolated residents with energetic independence. The only energy sources are wood pellet and solar energy. The pr...This paper refers to an integrated mCCHP (micro-combined cooling heat and power) systems dedicated for isolated residents with energetic independence. The only energy sources are wood pellet and solar energy. The proposed trigeneration system is based on mCHP (micro-combined heat and power) unit with Stirling engine, photovoltaic panels, thermal solar collector and pellet boiler. The proposed mCCHP system utilizes the exceeding amount of heat in the summer for producing the necessary cooling. A residential building with known energy consumption is determined load curves that must be covered by mCCHP system. The paper analyzes four structures of trigeneration systems with thermal activation chiller and two structures of trigeneration systems with mechanical compression chiller. Performance indicators are determined based on energy balance equations for each variant. It compares the performances and establishes the best option.展开更多
The paper presents a general distributed model of a vertical U-tube direct expansion heat exchanger coupled with the ground. This model is developed for studying the dynamic thermal behavior of a buried heat exchanger...The paper presents a general distributed model of a vertical U-tube direct expansion heat exchanger coupled with the ground. This model is developed for studying the dynamic thermal behavior of a buried heat exchanger which is an integral part of a so-called direct expansion heat pump. The transient conservative equations of mass, momentum and energy considering single and two-phase flow of refrigerant are derived and presented. The diffusive heat exchange with the ground is treated using an analytical approach to treat short-time scale response of vertical boreholes based on an imposed temperature. The thermal interference between the two pipes of the heat exchanger is also considered. The mathematical equations of the model are numerically presented using a control volume formulation and the solution of the system of equations is obtained by successive iterations. The dynamic behavior of the evaporator is simulated and the numerical results are analyzed regarding spatial parameters distribution and thermal interference influence.展开更多
Botswana currently depends on electricity generated from coal-based power plant or electricity supplied from the border in South Africa. The country has good reserves of coal and the solar radiation is sufficiently hi...Botswana currently depends on electricity generated from coal-based power plant or electricity supplied from the border in South Africa. The country has good reserves of coal and the solar radiation is sufficiently high to make solar thermal attractive for generating electricity. The paper presents two conceptual coal-fired power station designs in which a solar sub-system augments heat to the feed heaters or to the boiler. The thermal and economic analyses showed enhanced system performance which indicates that solar power could be embedded into existing fossil fuel plants or new power stations. Integrating solar energy with existing or new fossil fuel based power plants could reduce the cost of stand-alone solar thermal power stations, reduce CO2 emissions and produce experience necessary to operate a full scale solar thermal electricity generation facility.展开更多
Waste heat recovery for internal combustion engine(ICE)has been considered as an important strategy to improve efficiency and promote fuel economy,thus alleviating the problems of energy shortage and environmental pol...Waste heat recovery for internal combustion engine(ICE)has been considered as an important strategy to improve efficiency and promote fuel economy,thus alleviating the problems of energy shortage and environmental pollution.This paper investigates the characteristics of various kinds of waste heat energy,namely,waste heat in exhaust,cooling water and charge air,over the engine’s whole operating region.Based on the energy balance experiments,the energy distribution of a conventional heavy-duty diesel engine is obtained under mapping characteristics.According to exergy analysis,the energy recovery potential for waste heat is studied as well.The experimental results indicate that exhaust energy increases with engine speed and load,while cooling water energy is more sensitive to load,especially at low and middle speed.Charge air energy,on the other hand,mainly counts on speed rather than load.Exhaust energy possesses the highest recovery potential in terms of both quantity and quality.Through waste heat recovery,a dramatic improvement in engine efficiency is achievable,actually,the maximum value can amount to 60%or even more.展开更多
Interfacial solar-steam generation is a promising and cost-effective technology for both desalination and wastewater treatment.This process uses a photothermal evaporator to absorb sunlight and convert it into heat fo...Interfacial solar-steam generation is a promising and cost-effective technology for both desalination and wastewater treatment.This process uses a photothermal evaporator to absorb sunlight and convert it into heat for water evaporation.However solar-steam generation can be somewhat inefficient due to energy losses via conduction,convection and radiation.Thus,efficient energy management is crucial for optimizing the performance of solar-steam generation.Here,via elaborate design of the configuration of photothermal materials,as well as warm and cold evaporation surfaces,performance in solar evaporation was significantly enhanced.This was achieved via a simultaneous reduction in energy loss with a net increase in energy gain from the environment,and recycling of the latent heat released from vapor condensation,diffusive reflectance,thermal radiation and convection from the evaporation surface.Overall,by using the new strategy,an evaporation rate of 2.94 kg m^-2 h^-1,with a corresponding energy efficiency of solar-steam generation beyond theoretical limit was achieved.展开更多
基金support from the National Natural Science Foundation of China(No.21688102,No.21590801,and No.21520102005)support from Sichuan Science and Technology Program Grant(2020YJ0161)。
文摘In this work,we employ electronic structure calculations and nonadiabatic dynamics simulations based on many-body Green function and BetheSalpeter equation(GW/BSE)methods to study excited-state properties of a zinc phthalocyanine-fullerene(ZnPcC_(60))dyad with 6-6 and 5-6 configurations.In the former,the initially populated locally excited(LE)state of ZnPc is the lowest S1 state and thus,its subsequent charge separation is relatively slow.In contrast,in the latter,the S1 state is the LE state of C_(60)while the LE state of ZnPc is much higher in energy.There also exist several charge-transfer(CT)states between the LE states of ZnPc and C_(60).Thus,one can see apparent charge separation dynamics during excited-state relaxation dynamics from the LE state of ZnPc to that of C_(60).These points are verified in dynamics simulations.In the first 200 fs,there is a rapid excitation energy transfer from ZnPc to C_(60),followed by an ultrafast charge separation to form a CT intermediate state.This process is mainly driven by hole transfer from C_(60)to ZnPc.The present work demonstrates that different bonding patterns(i.e.5-6 and 6-6)of the C−N linker can be used to tune excited-state properties and thereto optoelectronic properties of covalently bonded ZnPc-C_(60)dyads.Methodologically,it is proven that combined GW/BSE nonadiabatic dynamics method is a practical and reliable tool for exploring photoinduced dynamics of nonperiodic dyads,organometallic molecules,quantum dots,nanoclusters,etc.
文摘We investigate the subsurface heat exchange process in EGS (enhanced geothermal systems) with a previously developed novel model. This model treats the porous heat reservoir as an equivalent porous medium of a single porosity. However, it considers local thermal non-equilibrium between solid rock matrix and fluid flowing in the factures and employs two energy conservation equations to describe heat transfer in the rock matrix and in the fractures, respectively, enabling the modeling and analyses of convective heat exchange in the heat reservoir. Another salient feature of this model is its capability of simulating the complete subsurface heat exchange process in EGS. The EGS subsurface geometry of interest physically consists of multiple domains: open channels for injection and production wells, the artificial heat reservoir, and the rocks enclosing the heat reservoir, while computationally we treat it as a single-domain of multiple sub-regions associated with different sets of characteristic properties (porosity and permeability, etc.). This circumvents typical difficulties about matching boundary conditions between sub-domains in traditional multi-domain approaches and facilitates numerical implementation and simulation of the complete subsurface heat exchange process. This model is used to perform a comprehensive parametric study with respect to an imaginary doublet EGS. Effects of several parameters, including the permeability of heat reservoir, heat exchange coefficient in the heat reservoir, the specific area of fractures in the heat reservoir, and thermal compensation from surrounding rocks, on the heat extraction efficiency and EGS lifetime are analyzed.
文摘This work discusses the combination of two thermodynamic cycles seeking to improve the overall chemical energy conversion rate into mechanical energy. Here one engine operates according a Rankine cycle in order to use part of the thermal energy released to the boundary, i.e., the neighboring atmosphere. The analysis of this combined cycle shows that it might, under proper condition, represent a gain of 1.2% in the overall delivered engine power.
文摘This paper refers to an integrated mCCHP (micro-combined cooling heat and power) systems dedicated for isolated residents with energetic independence. The only energy sources are wood pellet and solar energy. The proposed trigeneration system is based on mCHP (micro-combined heat and power) unit with Stirling engine, photovoltaic panels, thermal solar collector and pellet boiler. The proposed mCCHP system utilizes the exceeding amount of heat in the summer for producing the necessary cooling. A residential building with known energy consumption is determined load curves that must be covered by mCCHP system. The paper analyzes four structures of trigeneration systems with thermal activation chiller and two structures of trigeneration systems with mechanical compression chiller. Performance indicators are determined based on energy balance equations for each variant. It compares the performances and establishes the best option.
文摘The paper presents a general distributed model of a vertical U-tube direct expansion heat exchanger coupled with the ground. This model is developed for studying the dynamic thermal behavior of a buried heat exchanger which is an integral part of a so-called direct expansion heat pump. The transient conservative equations of mass, momentum and energy considering single and two-phase flow of refrigerant are derived and presented. The diffusive heat exchange with the ground is treated using an analytical approach to treat short-time scale response of vertical boreholes based on an imposed temperature. The thermal interference between the two pipes of the heat exchanger is also considered. The mathematical equations of the model are numerically presented using a control volume formulation and the solution of the system of equations is obtained by successive iterations. The dynamic behavior of the evaporator is simulated and the numerical results are analyzed regarding spatial parameters distribution and thermal interference influence.
文摘Botswana currently depends on electricity generated from coal-based power plant or electricity supplied from the border in South Africa. The country has good reserves of coal and the solar radiation is sufficiently high to make solar thermal attractive for generating electricity. The paper presents two conceptual coal-fired power station designs in which a solar sub-system augments heat to the feed heaters or to the boiler. The thermal and economic analyses showed enhanced system performance which indicates that solar power could be embedded into existing fossil fuel plants or new power stations. Integrating solar energy with existing or new fossil fuel based power plants could reduce the cost of stand-alone solar thermal power stations, reduce CO2 emissions and produce experience necessary to operate a full scale solar thermal electricity generation facility.
基金supported by the National Natural Science Foundation of China(Grant No.51206117)
文摘Waste heat recovery for internal combustion engine(ICE)has been considered as an important strategy to improve efficiency and promote fuel economy,thus alleviating the problems of energy shortage and environmental pollution.This paper investigates the characteristics of various kinds of waste heat energy,namely,waste heat in exhaust,cooling water and charge air,over the engine’s whole operating region.Based on the energy balance experiments,the energy distribution of a conventional heavy-duty diesel engine is obtained under mapping characteristics.According to exergy analysis,the energy recovery potential for waste heat is studied as well.The experimental results indicate that exhaust energy increases with engine speed and load,while cooling water energy is more sensitive to load,especially at low and middle speed.Charge air energy,on the other hand,mainly counts on speed rather than load.Exhaust energy possesses the highest recovery potential in terms of both quantity and quality.Through waste heat recovery,a dramatic improvement in engine efficiency is achievable,actually,the maximum value can amount to 60%or even more.
基金financial support from Australian Research Council(ARC Future Fellowship FT190100485)University of South Australia(Foundation Fellow)China Scholarship Council and Huasheng Graphite Co.,Ltd。
文摘Interfacial solar-steam generation is a promising and cost-effective technology for both desalination and wastewater treatment.This process uses a photothermal evaporator to absorb sunlight and convert it into heat for water evaporation.However solar-steam generation can be somewhat inefficient due to energy losses via conduction,convection and radiation.Thus,efficient energy management is crucial for optimizing the performance of solar-steam generation.Here,via elaborate design of the configuration of photothermal materials,as well as warm and cold evaporation surfaces,performance in solar evaporation was significantly enhanced.This was achieved via a simultaneous reduction in energy loss with a net increase in energy gain from the environment,and recycling of the latent heat released from vapor condensation,diffusive reflectance,thermal radiation and convection from the evaporation surface.Overall,by using the new strategy,an evaporation rate of 2.94 kg m^-2 h^-1,with a corresponding energy efficiency of solar-steam generation beyond theoretical limit was achieved.