Subsurface geothermal energy storage has greater potential than other energy storage strategies in terms of capacity scale and time duration.Carbon dioxide(CO_(2))is regarded as a potential medium for energy storage d...Subsurface geothermal energy storage has greater potential than other energy storage strategies in terms of capacity scale and time duration.Carbon dioxide(CO_(2))is regarded as a potential medium for energy storage due to its superior thermal properties.Moreover,the use of CO_(2)plumes for geothermal energy storage mitigates the greenhouse effect by storing CO_(2)in geological bodies.In this work,an integrated framework is proposed for synergistic geothermal energy storage and CO_(2)sequestration and utilization.Within this framework,CO_(2)is first injected into geothermal layers for energy accumulation.The resultant high-energy CO_(2)is then introduced into a target oil reservoir for CO_(2)utilization and geothermal energy storage.As a result,CO_(2)is sequestrated in the geological oil reservoir body.The results show that,as high-energy CO_(2)is injected,the average temperature of the whole target reservoir is greatly increased.With the assistance of geothermal energy,the geological utilization efficiency of CO_(2)is higher,resulting in a 10.1%increase in oil displacement efficiency.According to a storage-potential assessment of the simulated CO_(2)site,110 years after the CO_(2)injection,the utilization efficiency of the geological body will be as high as 91.2%,and the final injection quantity of the CO_(2)in the site will be as high as 9.529×10^(8)t.After 1000 years sequestration,the supercritical phase dominates in CO_(2)sequestration,followed by the liquid phase and then the mineralized phase.In addition,CO_(2)sequestration accounting for dissolution trapping increases significantly due to the presence of residual oil.More importantly,CO_(2)exhibits excellent performance in storing geothermal energy on a large scale;for example,the total energy stored in the studied geological body can provide the yearly energy supply for over 3.5×10^(7) normal households.Application of this integrated approach holds great significance for large-scale geothermal energy storage and the achievement of carbon neutrality.展开更多
The Hansen solubility parameters(HSP)are frequently used for solvent selection and characterization of polymers,and are directly related to the suspension behavior of pigments in solvent mixtures.The performance of cu...The Hansen solubility parameters(HSP)are frequently used for solvent selection and characterization of polymers,and are directly related to the suspension behavior of pigments in solvent mixtures.The performance of currently available group contribution(GC)methods for HSP were evaluated and found to be insufficient for computer-aided product design(CAPD)of paints and coatings.A revised and,for this purpose,improved GC method is presented for estimating HSP of organic compounds,intended for organic pigments.Due to the significant limitations of GC methods,an uncertainty analysis and parameter confidence intervals are provided in order to better quantify the estimation accuracy of the proposed approach.Compared to other applicable GC methods,the prediction error is reduced significantly with average absolute errors of 0.45 MPa^(1/2),1.35 MPa^(1/2),and 1.09 MPa^(1/2) for the partial dispersion(δD),polar(δP)and hydrogen-bonding(δH)solubility parameters respectively for a database of 1106 compounds.The performance for organic pigments is comparable to the overall method performance,with higher average errors forδD and lower average errors forδP andδH.展开更多
Packed columns are widely used in the chemical industry such as absorption,stripping,distillation,and extraction in the production of e.g.organic chemicals,and pharmaceuticals.Pressure loss and pressure drop correlati...Packed columns are widely used in the chemical industry such as absorption,stripping,distillation,and extraction in the production of e.g.organic chemicals,and pharmaceuticals.Pressure loss and pressure drop correlations are of special interest when it comes to the hydrodynamic properties of a column.The pressure loss across the column is of interest in the design phase when the size of the blower to drive the gas stream through the column has to be decided.The loading point and flooding point are also influenced by the pressure loss and the area of operation is determined from these points.This work examines four different correlations on pressure drop.The correlations are(i)Ergun’s equation(1952),(ii)an improved version of Ergun’s equation by Stichlmair,Bravo,and Fair(1989),(iii)an equation developed by Billet and Schultes(1999),and(iv)an equation by Rocha,Bravo,and Fair(1993).The complexity of the correlations is increasing in the mentioned order,Ergun’s equation being the simplest one.This study investigates if the more complicated correlations give better predictions to pressure drop in packed columns.This is determined by comparing the correlations to experimental data for pressure drop in a packed column with 8.2 m of structured packing using water as the liquid and atmospheric air as the gas.Seven experiments were carried out for determining the pressure drop in the column with liquid flows varying from 0 to 500 kg·h^(-1).At constant liquid flow,the gas flow was varied from approximately 10 to 70 kg·h^(-1).The pressure drop across the non-wetted column was best described by the correlation by Rocha et al.while the pressure drop for liquid flows from 100 to 500 kg·h^(-1)was,in general,best described by Stichlmair’s equation.For an irrigated column,the highest deviation was a predicted pressure drop 69.6%lower than measured.The best prediction was 0.1%higher than the measured.This study shows,surprisingly,that for a system of water and atmospheric air,complicated correlations on pressure drop determination do not provide better estimates than simple equations.展开更多
Absorption refrigeration is a highly effective method for utilizing renewable energy,as it can be driven by lowgrade heat sources such as industrial waste heat,solar energy,and geothermal energy.The development of new...Absorption refrigeration is a highly effective method for utilizing renewable energy,as it can be driven by lowgrade heat sources such as industrial waste heat,solar energy,and geothermal energy.The development of new working pairs,particularly hydrofluorocarbon/hydrofluoroolefin refrigerants combined with ionic liquids,has been pivotal in enhancing the cooling efficiency of absorption refrigeration systems.These systems rely on the solubility difference between the generator and absorber,making solubility a crucial factor in determining their efficiency.In this context,we have established an advanced solubility estimation model.This model employs the Attention E(n)-equivariant Graph Neural Network(AEGNN)applied to disconnected graphs,enabling comprehensive learning from both topological and Euclidean structural information.Our atomic-scale model demonstrates significantly higher accuracy than traditional group contribution methods,with an average absolute deviation of 0.003 mol/mol from experimental data.Moreover,it encompasses a much broader range of working pairs.Through extensive screening,we have identified working pairs with high estimated solubility differences.Compared to the high-efficiency working pair identified in the literature,the best-screened working pairs exhibit an improvement in solubility differences by more than 0.3 mol/mol under common operating conditions.展开更多
In this paper,an exploration of the practical thermodynamic performance limits of the organic Rankine cycle(ORC)under working fluid and cycle parameter restrictions is presented.These performance limits are more reali...In this paper,an exploration of the practical thermodynamic performance limits of the organic Rankine cycle(ORC)under working fluid and cycle parameter restrictions is presented.These performance limits are more realistic benchmarks for the thermodynamic cycle than the efficiency of the Carnot cycle.Subcritical ORC configuration with four typical case studies that are related to temperature ranging from 373.15 to 673.15 K is taken into account.The ORC is defined by its cycle parameters and working fluid characteristic properties.The cycle parameters involve evaporation temperature(T_(eva)),condensation temperature(T_(con))and superheat degree(ΔT_(sup)),while the working fluids are represented by the characteristic properties including critical temperature(T_(c)),critical pressure(p_(c)),acentric factor(ω),and molar ideal gas isobaric heat capacity based on the principle of corresponding states.Subsequently,Pareto optimum solutions for obtained hypothetical working fluids and cycle parameters are achieved using multi-objective optimization method with the consideration of both thermal efficiency(η_(th))and volumetric power output(VPO).Finally,sensitivity analysis of the working fluid characteristic properties is conducted,and the second law of thermodynamics analysis,especially the applicability of entropy generation minimization,is performed.The results show that the current commonly used working fluids are widely scattered below the Pareto front that represents the tradeoff betweenη_(th) and VPO for obtained hypothetical fluids.T_(eva) and T_(con) are the most dominant cycle parameters,while T_(c) and ωtend to be the most dominant characteristic property parameters.The entropy generation minimization does not give the same optimal results.展开更多
Crystalline solids play a fundamental role in a host of materials and technologies,ranging from pharmaceuticals to renewable energy.The thermodynamic properties of these solids are crucial determinants of their stabil...Crystalline solids play a fundamental role in a host of materials and technologies,ranging from pharmaceuticals to renewable energy.The thermodynamic properties of these solids are crucial determinants of their stability and therefore their behavior.展开更多
The spectral/hp element method combines the geometric flexibility of the classical h-type finite element technique with the desirable numerical properties of spectral methods, employing high-degree piecewise polynomia...The spectral/hp element method combines the geometric flexibility of the classical h-type finite element technique with the desirable numerical properties of spectral methods, employing high-degree piecewise polynomial basis functions on coarse finite element-type meshes. The spatial approximation is based upon orthogonal polynomials, such as Legendre or Chebychev polynomials,modified to accommodate a C~0-continuous expansion. Computationally and theoretically, by increasing the polynomial order p,high-precision solutions and fast convergence can be obtained and, in particular, under certain regularity assumptions an exponential reduction in approximation error between numerical and exact solutions can be achieved. This method has now been applied in many simulation studies of both fundamental and practical engineering flows. This paper briefly describes the formulation of the spectral/hp element method and provides an overview of its application to computational fluid dynamics. In particular, it focuses on the use of the spectral/hp element method in transitional flows and ocean engineering. Finally, some of the major challenges to be overcome in order to use the spectral/hp element method in more complex science and engineering applications are discussed.展开更多
基金supported by the National Key Research and Development Program of China under grant(2022YFE0206700)the financial support by the National Natural Science Foundation of China(52004320)the Science Foundation of China University of Petroleum,Beijing(2462021QNXZ012 and 2462021YJRC012)。
文摘Subsurface geothermal energy storage has greater potential than other energy storage strategies in terms of capacity scale and time duration.Carbon dioxide(CO_(2))is regarded as a potential medium for energy storage due to its superior thermal properties.Moreover,the use of CO_(2)plumes for geothermal energy storage mitigates the greenhouse effect by storing CO_(2)in geological bodies.In this work,an integrated framework is proposed for synergistic geothermal energy storage and CO_(2)sequestration and utilization.Within this framework,CO_(2)is first injected into geothermal layers for energy accumulation.The resultant high-energy CO_(2)is then introduced into a target oil reservoir for CO_(2)utilization and geothermal energy storage.As a result,CO_(2)is sequestrated in the geological oil reservoir body.The results show that,as high-energy CO_(2)is injected,the average temperature of the whole target reservoir is greatly increased.With the assistance of geothermal energy,the geological utilization efficiency of CO_(2)is higher,resulting in a 10.1%increase in oil displacement efficiency.According to a storage-potential assessment of the simulated CO_(2)site,110 years after the CO_(2)injection,the utilization efficiency of the geological body will be as high as 91.2%,and the final injection quantity of the CO_(2)in the site will be as high as 9.529×10^(8)t.After 1000 years sequestration,the supercritical phase dominates in CO_(2)sequestration,followed by the liquid phase and then the mineralized phase.In addition,CO_(2)sequestration accounting for dissolution trapping increases significantly due to the presence of residual oil.More importantly,CO_(2)exhibits excellent performance in storing geothermal energy on a large scale;for example,the total energy stored in the studied geological body can provide the yearly energy supply for over 3.5×10^(7) normal households.Application of this integrated approach holds great significance for large-scale geothermal energy storage and the achievement of carbon neutrality.
基金Financial support from the Sino-Danish Center for Education and Research(SDC)the Hempel Foundation to CoaST(The Hempel Foundation Coatings Science and Technology Centre)Hempel A/S。
文摘The Hansen solubility parameters(HSP)are frequently used for solvent selection and characterization of polymers,and are directly related to the suspension behavior of pigments in solvent mixtures.The performance of currently available group contribution(GC)methods for HSP were evaluated and found to be insufficient for computer-aided product design(CAPD)of paints and coatings.A revised and,for this purpose,improved GC method is presented for estimating HSP of organic compounds,intended for organic pigments.Due to the significant limitations of GC methods,an uncertainty analysis and parameter confidence intervals are provided in order to better quantify the estimation accuracy of the proposed approach.Compared to other applicable GC methods,the prediction error is reduced significantly with average absolute errors of 0.45 MPa^(1/2),1.35 MPa^(1/2),and 1.09 MPa^(1/2) for the partial dispersion(δD),polar(δP)and hydrogen-bonding(δH)solubility parameters respectively for a database of 1106 compounds.The performance for organic pigments is comparable to the overall method performance,with higher average errors forδD and lower average errors forδP andδH.
基金the BioCO_(2) project(the Danish government through the EUDP agency No.64016-0082)the INTERACT project(European Union Seventh Framework Programme FP7/2007-2013 under grant agreement No.608535)the financial support from the Center for Energy Resources Engineering(CERE),and the Technical University of Denmark.
文摘Packed columns are widely used in the chemical industry such as absorption,stripping,distillation,and extraction in the production of e.g.organic chemicals,and pharmaceuticals.Pressure loss and pressure drop correlations are of special interest when it comes to the hydrodynamic properties of a column.The pressure loss across the column is of interest in the design phase when the size of the blower to drive the gas stream through the column has to be decided.The loading point and flooding point are also influenced by the pressure loss and the area of operation is determined from these points.This work examines four different correlations on pressure drop.The correlations are(i)Ergun’s equation(1952),(ii)an improved version of Ergun’s equation by Stichlmair,Bravo,and Fair(1989),(iii)an equation developed by Billet and Schultes(1999),and(iv)an equation by Rocha,Bravo,and Fair(1993).The complexity of the correlations is increasing in the mentioned order,Ergun’s equation being the simplest one.This study investigates if the more complicated correlations give better predictions to pressure drop in packed columns.This is determined by comparing the correlations to experimental data for pressure drop in a packed column with 8.2 m of structured packing using water as the liquid and atmospheric air as the gas.Seven experiments were carried out for determining the pressure drop in the column with liquid flows varying from 0 to 500 kg·h^(-1).At constant liquid flow,the gas flow was varied from approximately 10 to 70 kg·h^(-1).The pressure drop across the non-wetted column was best described by the correlation by Rocha et al.while the pressure drop for liquid flows from 100 to 500 kg·h^(-1)was,in general,best described by Stichlmair’s equation.For an irrigated column,the highest deviation was a predicted pressure drop 69.6%lower than measured.The best prediction was 0.1%higher than the measured.This study shows,surprisingly,that for a system of water and atmospheric air,complicated correlations on pressure drop determination do not provide better estimates than simple equations.
基金support provided by the National Natural Science Foundation of China (No.52376165)the Natural Science Basic Research Program of Shaanxi (Nos.2022JC-26,2023JC-XJ-16,and 2022GXLH-01-09).
文摘Absorption refrigeration is a highly effective method for utilizing renewable energy,as it can be driven by lowgrade heat sources such as industrial waste heat,solar energy,and geothermal energy.The development of new working pairs,particularly hydrofluorocarbon/hydrofluoroolefin refrigerants combined with ionic liquids,has been pivotal in enhancing the cooling efficiency of absorption refrigeration systems.These systems rely on the solubility difference between the generator and absorber,making solubility a crucial factor in determining their efficiency.In this context,we have established an advanced solubility estimation model.This model employs the Attention E(n)-equivariant Graph Neural Network(AEGNN)applied to disconnected graphs,enabling comprehensive learning from both topological and Euclidean structural information.Our atomic-scale model demonstrates significantly higher accuracy than traditional group contribution methods,with an average absolute deviation of 0.003 mol/mol from experimental data.Moreover,it encompasses a much broader range of working pairs.Through extensive screening,we have identified working pairs with high estimated solubility differences.Compared to the high-efficiency working pair identified in the literature,the best-screened working pairs exhibit an improvement in solubility differences by more than 0.3 mol/mol under common operating conditions.
基金supported by the National Natural Science Foundation of China(Grant Nos.51906119,51736005)the Beijing Natural Science Foundation(Grant No.3194053)+1 种基金the National Postdoctoral Program for Innovative Talents(Grant No.BX20200178)the grants from Shuimu Tsinghua Scholar Program(Grant No.2020SM013)。
文摘In this paper,an exploration of the practical thermodynamic performance limits of the organic Rankine cycle(ORC)under working fluid and cycle parameter restrictions is presented.These performance limits are more realistic benchmarks for the thermodynamic cycle than the efficiency of the Carnot cycle.Subcritical ORC configuration with four typical case studies that are related to temperature ranging from 373.15 to 673.15 K is taken into account.The ORC is defined by its cycle parameters and working fluid characteristic properties.The cycle parameters involve evaporation temperature(T_(eva)),condensation temperature(T_(con))and superheat degree(ΔT_(sup)),while the working fluids are represented by the characteristic properties including critical temperature(T_(c)),critical pressure(p_(c)),acentric factor(ω),and molar ideal gas isobaric heat capacity based on the principle of corresponding states.Subsequently,Pareto optimum solutions for obtained hypothetical working fluids and cycle parameters are achieved using multi-objective optimization method with the consideration of both thermal efficiency(η_(th))and volumetric power output(VPO).Finally,sensitivity analysis of the working fluid characteristic properties is conducted,and the second law of thermodynamics analysis,especially the applicability of entropy generation minimization,is performed.The results show that the current commonly used working fluids are widely scattered below the Pareto front that represents the tradeoff betweenη_(th) and VPO for obtained hypothetical fluids.T_(eva) and T_(con) are the most dominant cycle parameters,while T_(c) and ωtend to be the most dominant characteristic property parameters.The entropy generation minimization does not give the same optimal results.
基金The authors wish to thank the European Research Council(ERC)under the European Union’s Horizon 2020 research and innovation program(Grant Agreement no.832460),ERC Advanced Grant project“New Paradigm in Electrolyte Thermodynamic”and the Department of Chemical Engineering at the Technical University of Denmark for funding this research.In addition,we would like to thank Gupta et al.20 for providing code and instructions for generating the MPpredictor results.
文摘Crystalline solids play a fundamental role in a host of materials and technologies,ranging from pharmaceuticals to renewable energy.The thermodynamic properties of these solids are crucial determinants of their stability and therefore their behavior.
文摘The spectral/hp element method combines the geometric flexibility of the classical h-type finite element technique with the desirable numerical properties of spectral methods, employing high-degree piecewise polynomial basis functions on coarse finite element-type meshes. The spatial approximation is based upon orthogonal polynomials, such as Legendre or Chebychev polynomials,modified to accommodate a C~0-continuous expansion. Computationally and theoretically, by increasing the polynomial order p,high-precision solutions and fast convergence can be obtained and, in particular, under certain regularity assumptions an exponential reduction in approximation error between numerical and exact solutions can be achieved. This method has now been applied in many simulation studies of both fundamental and practical engineering flows. This paper briefly describes the formulation of the spectral/hp element method and provides an overview of its application to computational fluid dynamics. In particular, it focuses on the use of the spectral/hp element method in transitional flows and ocean engineering. Finally, some of the major challenges to be overcome in order to use the spectral/hp element method in more complex science and engineering applications are discussed.
