Isobaric molar heat capacity affected by pressures for non-ideal gases is calculated theoretically at specified temperatures by means of gaseous equations of state,i.e.Redlish-Kwong(RK)Equation,SoaveRedlich-Kwong(SRK)...Isobaric molar heat capacity affected by pressures for non-ideal gases is calculated theoretically at specified temperatures by means of gaseous equations of state,i.e.Redlish-Kwong(RK)Equation,SoaveRedlich-Kwong(SRK)Equation,Peng-Robinson(PR)Equation,Virial Equation,coupled with Romberg numeric integral via solving the key obstacle(δV/δT)_(p),and integral(δ^(2)V/δT^(2))_(p).As an example,methane's C_(p)is calculated at constant 300 K but 1 MPa&10 MPa.The calculation results show that less than 2%relative errors occur in comparison with literature values at any specified temperatures and pressures if no phase change survives at elevated pressure P_(2)and temperature T,or when specified temperatures are greater than critical temperatures in spite of elevated pressures.However,greater errors would be present if gases were considered to be ideal,or if temperatures are lower than critical temperatures at elevated pressures(>10 MPa),because C_(p)is the function of both temperature and pressure.In particular,elevated pressures have significant effect on C_(p).展开更多
Ionic liquids(ILs),because of the advantages of low volatility,good thermal stability,high gas solubility and easy recovery,can be regarded as the green substitute for traditional solvent.However,the high viscosity an...Ionic liquids(ILs),because of the advantages of low volatility,good thermal stability,high gas solubility and easy recovery,can be regarded as the green substitute for traditional solvent.However,the high viscosity and synthesis cost limits their application,the hybrid solvent which combining ILs together with others especially water can solve this problem.Compared with the pure IL systems,the study of the ILs-H_(2)O binary system is rare,and the experimental data of corresponding thermodynamic properties(such as density,heat capacity,etc.)are less.Moreover,it is also difficult to obtain all the data through experiments.Therefore,this work establishes a predicted model on ILs-water binary systems based on the group contribution(GC)method.Three different machine learning algorithms(ANN,XGBoost,LightBGM)are applied to fit the density and heat capacity of ILs-water binary systems.And then the three models are compared by two index of MAE and R^(2).The results show that the ANN-GC model has the best prediction effect on the density and heat capacity of ionic liquid-water mixed system.Furthermore,the Shapley additive explanations(SHAP)method is harnessed to scrutinize the significance of each structure and parameter within the ANN-GC model in relation to prediction outcomes.The results reveal that system components(XIL)within the ILs-H_(2)O binary system exert the most substantial influence on density,while for the heat capacity,the substituents on the cation exhibit the greatest impact.This study not only introduces a robust prediction model for the density and heat capacity properties of IL-H_(2)O binary mixtures but also provides insight into the influence of mixture features on its density and heat capacity.展开更多
There are at least two valid approaches to the thermodynamics of electrons in metals. One takes a microscopic view, based on models of electrons in metals and superconductor and uses statistical mechanics to calculate...There are at least two valid approaches to the thermodynamics of electrons in metals. One takes a microscopic view, based on models of electrons in metals and superconductor and uses statistical mechanics to calculate the total thermodynamic functions for the model-based system. Another uses partial molar quantities, which is a rigorous thermodynamic method to analyze systems with components that can cross phase boundaries and is particularly useful when applied to a system composed of interacting components. Partial molar quantities have not been widely used in the field of solid state physics. The present paper will explore the application of partial molar electronic entropy and partial molar electronic heat capacity to electrons in metals and superconductors. This provides information that is complementary information from other approaches to the thermodynamics of electrons in metals and superconductors and can provide additional insight into the properties of those materials. Furthermore, the application of partial molar quantities to electrons in metals and superconductors has direct relevance to long-standing problems in other fields, such as the thermodynamics of ions in solution and the thermodynamics of biological energy transformations. A unifying principle between reversible and irreversible thermodynamics is also discussed, including how this relates to the completeness of thermodynamic theory.展开更多
The specific heat capacities of Cu60Zr20Hfl0Til0 bulk metallic glass （BMG） and crystallized alloys were measured from 2 to 101 K. The effect of crystallization on the specific heat capacity of the BMG was studied. T...The specific heat capacities of Cu60Zr20Hfl0Til0 bulk metallic glass （BMG） and crystallized alloys were measured from 2 to 101 K. The effect of crystallization on the specific heat capacity of the BMG was studied. The effects of crystallization and the relationship between local modes and boson peak in the BMG were discussed. The specific heat capacity deviates from the simple Debye behaviors, showing the presence of local harmonic modes （Einstein oscillator） in the BMG and the crystallized alloy. Model calculation includes the contribution of one Debye mode and two Einstein modes for the BMG, one Debye mode and one Einstein mode for the crystallized alloy, showing an adequate description of the experimental data.展开更多
Experimental densities, viscosities and heat capacities at different temperatures were presented over the entire mole fraction range for the binary mixture of 1,2-propanediol and water. Density values were used in the...Experimental densities, viscosities and heat capacities at different temperatures were presented over the entire mole fraction range for the binary mixture of 1,2-propanediol and water. Density values were used in the determination of excess molar volumes, VE. At the same time, the excess viscosity was investigated. The values of VE and E were fitted to the Redlich-Kister equation. Good agreement was observed. The excess volumes are negative over the entire range of composition. They show an U-shaped-concentration dependence and decrease in absolute values with increase of temperature. Values of E are negative over the entire range of the composition, and has a trend very similar to that of VE . The analysis shows that at any temperature the specific heat of mixture is a linear function of the composition as x1 > 20%. All the extended lines intersect at one point. An empirical equation is obtained to calculate the specific heat to mixture at any composition and temperature in the experimental range.展开更多
Isometric heat capacity cv and isobar heat capacity cp of Ru metal in HCP,FCC,BCC and liquid state were calculated by using pure element systematic theory.The results are in good agreement with joint army-navy-air for...Isometric heat capacity cv and isobar heat capacity cp of Ru metal in HCP,FCC,BCC and liquid state were calculated by using pure element systematic theory.The results are in good agreement with joint army-navy-air force(JANAF) experimental value and the calculation result by first-principle(FP) method.But the results have great differences in contrast to Scientific Group Thermodata Europe(SGTE) database.The cause is found that it cannot neglect the electron devotion to heat capacity to adjust cp in one-atom(OA) method.The disparity between OA method and SGTE database was discussed.The main cause is that OA method adopts the crosspoint with iso-Ec-line and iso-a-line in hybritriangle to determine the properties,but SGTE database is obtained by extrapolation from activity measurements and critical assessment of data from a large number of binary system.Thermodynamic properties of Ru metal in HCP,FCC,BCC and liquid state,such as entropy S,enthalpy H and Gibbs energy G were calculated.Therefore,the full description of thermodynamic properties from 0 K to random temperature is implemented.展开更多
The dominant phase ZrV2O7 material, doped with zirconia and vanadium (V) oxide, was synthesized by solid state reaction and sol-gel methods. X-ray power diffraction patterns show that it is cubic structure. Thermal me...The dominant phase ZrV2O7 material, doped with zirconia and vanadium (V) oxide, was synthesized by solid state reaction and sol-gel methods. X-ray power diffraction patterns show that it is cubic structure. Thermal mechanic analysis measurements exhibit a zero-thermal expansion of this material above 150 degreesC. Meanwhile, the heat capacity dependent on temperature, determined by differential scanning calorimetry, keeps in constant almost in the same temperature range. The relationship between unusual thermal expansion and abnormal heat capacity is discussed with Gruneisen parameter.展开更多
The thermodynamic properties of different geometric structures of 1,2-cyclohexanediol which were rarely reported in literature, such as combustion enthalpy, formation enthalpy, melting enthalpy and heat ca-pacities, w...The thermodynamic properties of different geometric structures of 1,2-cyclohexanediol which were rarely reported in literature, such as combustion enthalpy, formation enthalpy, melting enthalpy and heat ca-pacities, were determined by NETZSCH DSC 204 Scanning Calorimeter. The relationship between the melting point and the composition for the mixture system of cis-1,2-cyclohexanediol and trans-1,2-cyclohexanediol was investigated and corresponding phase diagram was obtained. 'The melting enthalpies of both cis-1,2-cyclohexanediol and trans-1,2-cyclohexanediol are 20.265kJ·mol-1 and 16.368kJ·mol-1 respectively. The standard combustion enthalpies of cia- and trans-1,2-cyclohexaneddiol were determined by calorimeter. They are respec-tively -3507.043 kJ·mol-1 and - 3497.8 kJ·mol-1 at 298.15 K.The standard formation enthalpies are respectively 568.997 kJ·mol-1 and 578.240 kJ·mol-1 for cia- and trans -1,2-cyclohexaneddiol.展开更多
Experimental densities, viscosities and heat capacities atdifferent temperatures were presented over the entire range of molefraction for the binary mixture of p-xylene and acetic acid. Densityvalues were used in the ...Experimental densities, viscosities and heat capacities atdifferent temperatures were presented over the entire range of molefraction for the binary mixture of p-xylene and acetic acid. Densityvalues were used in the determination of excess molar volumes, V^E.At the same time, the excess viscosity and excess molar heatcapacities were calculated. The values of V^E, η~E and c^E_p werefitted to the Redlich-Kister equation. Good agreements were observed.The excess molar volumes are positive with a large maximum valuelocated in the central concentration range.展开更多
The thermal decomposition process was studied by the TG–DTA analyzer. The results show that the decomposition process of sodium hydroxyethyl sulfonate consisted of three stages: the mass loss for the first, the secon...The thermal decomposition process was studied by the TG–DTA analyzer. The results show that the decomposition process of sodium hydroxyethyl sulfonate consisted of three stages: the mass loss for the first, the second and third stages may be about the groups of CH_3CH_2OH, CH_3CHO and SO_2 volatilized, respectively. The decomposition residuum of three stages was analyzed by FT-IR, and the results of FT-IR agreed with the decomposition process predicted by theoretical weight loss. The specific heat capacity of sodium hydroxyethyl sulfonate was determined by differential scanning calorimetry(DSC). The melting temperature and melting enthalpy were obtained to be 465.41 K and 25.69 kJ·mol^(-1), respectively. The molar specific heat capacity of sodium hydroxyethyl sulfonate was determinated from 310.15 K to 365.15 K and expressed as a function of temperature.展开更多
Nanofluids are extensively applied in various heat transfer mediums for improving their heat transfer characteristics and hence their performance.Specific heat capacity of nanofluids,as one of the thermophysical prope...Nanofluids are extensively applied in various heat transfer mediums for improving their heat transfer characteristics and hence their performance.Specific heat capacity of nanofluids,as one of the thermophysical properties,performs principal role in heat transfer of thermal mediums utilizing nanofluids.In this regard,different studies have been carried out to investigate the influential factors on nanofluids specific heat.Moreover,several regression models based on correlations or artificial intelligence have been developed for forecasting this property of nanofluids.In the current review paper,influential parameters on the specific heat capacity of nanofluids are introduced.Afterwards,the proposed models for their forecasting and modeling are proposed.According to the reviewed works,concentration and properties of solid structures in addition to temperature affect specific heat capacity to large extent and must be considered as inputs for the models.Moreover,by using other effective factors,the accuracy and comprehensive of the models can be modified.Finally,some suggestions are offered for the upcoming works in the relevant topics.展开更多
This work continued our general research program on obtaining metallic cerium by electrodeposition from NaCeF4 dis-solved in different molten fluorides. The structure of NaCeF4 （cubic or hexagonal depending on the wa...This work continued our general research program on obtaining metallic cerium by electrodeposition from NaCeF4 dis-solved in different molten fluorides. The structure of NaCeF4 （cubic or hexagonal depending on the way of preparation） was estab-lished by DTA analysis, IR spectra and X-ray diffraction. The heat capacity （Cp） of NaCeF4 was measured by differential scanning calorimetry in the temperature range of 300-1093 K using the“step-method”. The Cp was fitted by an equation with a satisfactory re-sult. Heat capacity was compared with that calculated from the Neumann-Kopp rule （NKR） and the deviations observed were consis-tent with the stability of the NaCeF4 compound.展开更多
Co_((1-x))ZnxFe_(2)O_(4)nanospheres(x=0,0.5,0.8)with a unidirectional cubic spinel structure were prepared by a solvothermal method.By using a range of theoretical and empirical models,the experimental heat capacity v...Co_((1-x))ZnxFe_(2)O_(4)nanospheres(x=0,0.5,0.8)with a unidirectional cubic spinel structure were prepared by a solvothermal method.By using a range of theoretical and empirical models,the experimental heat capacity values were fitted as a function of temperature over a suitable temperature range to explain the possible relationship between the magnetic properties and microstructure of the nanospheres.As a result,at a low temperature(T<10 K),the parameter Bfswdecreases with increasing Zn concentration,implying that the exchange interaction between A and B sites decreases.At a relatively high temperature(T>50 K),the Debye temperature decreases with increasing Zn concentration,which is due to the weakening of the interatomic bonding force after the addition of non-magnetic materials to the Co Fe_(2)O_(4)spinel ferrite.展开更多
A new compound, [（NH2）2C=NH2]＋N（NO2）2-（GDN）, was prepared by mixing ammonium dinitramide （ADN） and guanidine hydrochloride in water. The thermal behavior of GDN was studied under the non-isothermal conditions...A new compound, [（NH2）2C=NH2]＋N（NO2）2-（GDN）, was prepared by mixing ammonium dinitramide （ADN） and guanidine hydrochloride in water. The thermal behavior of GDN was studied under the non-isothermal conditions with DSC and TG/DTG methods. The apparent activation energy（E） and pre-exponential constant（A） of the exothermic decomposition stage of GDN were 118.75 kJ/mol and 10^10.86 s^-1, respectively. The critical temperature of the thermal explosion（Tb） of GDN was 164.09 ℃. The specific heat capacity of GDN was determined with the Micro-DSC method and the theoretical calculation method, and the standard molar specific heat capacity was 234.76 J·mol^-1·K^-1 at 298.15 K. The adiabatic time-to-explosion of GDN was also calculated to be a certain value between 404.80 and 454.95 s.展开更多
Low-temperature heat capacities of pyrimethanil decylate （ C22 H33 N3 O2 ） were precisely measured with an automated adiabatic calorimeter over the temperature range from 78 to 373 K. The sample was observed to melt...Low-temperature heat capacities of pyrimethanil decylate （ C22 H33 N3 O2 ） were precisely measured with an automated adiabatic calorimeter over the temperature range from 78 to 373 K. The sample was observed to melt at （311.04 ± 0.06） K. The molar enthalpy and entropy of fusion as well as the chemical purity of the compound were determined to be（45876± 12） J/mol, （147. 50 ±0. 05） J. mol^-1 · K^-1 and （99. 21 ±0. 03）% （mass fraction）, respectively. The extrapolated melting temperature for the absolutely pure compound obtained from fractional melting experiments is （311. 204±0. 035 ） K.展开更多
Constant-volume heat capacities of supercritical (SC) CO2, SC CO2-n-pentane, and SC CO2-n-heptane mixtures were determined at 308.15 K in the pressure range from 6 to 12 MPa. It was found that there is a maximum in ea...Constant-volume heat capacities of supercritical (SC) CO2, SC CO2-n-pentane, and SC CO2-n-heptane mixtures were determined at 308.15 K in the pressure range from 6 to 12 MPa. It was found that there is a maximum in each heat capacity vs pressure curve. Intermolecular interaction in the fluids was studied.展开更多
This paper is based on Einstein’s supposition about crystal lattice vibration, which states that when Einstein’s temperature ΘE is not less than the crystal temperature T but less than 2T, the expression of crystal...This paper is based on Einstein’s supposition about crystal lattice vibration, which states that when Einstein’s temperature ΘE is not less than the crystal temperature T but less than 2T, the expression of crystal molar heat capacity changes to the Dulong-Petit equation Cv=3R. Thereby this equation can explain why crystal molar heat capacity equals about 3R not only at low temperatures but also at normal temperatures for many kinds of metals. It can be calculated that the nonlinear interaction among atoms contributes to the molar heat capacity using the coefficient of expansion β and the Grüneisen constant γ. The result is that the relative error between the theoretical and the experimental value of the molar heat capacity is reduced greatly for many kinds of metals, especially for metals of IA. The relative error can be cut by about 17%.展开更多
The specific heat capacity of NiTi alloy at constant pressure using MDSC (Modulated differential scanning calorimeter) was determined. It was found that the variation tendencies of the specific heat capacity for diffe...The specific heat capacity of NiTi alloy at constant pressure using MDSC (Modulated differential scanning calorimeter) was determined. It was found that the variation tendencies of the specific heat capacity for different phases are different. The fitting equations of the specific heat capacity for martensite and austenite phases were presented. Then, a reason, based on thermodynamic point of view, was proposed to explain the difference of the specific heat capacity between martensitic and austenitic phases. Finally, compared with the specific heat capacity of pure Ni and Ti, it was found that the specific heat capacity of NiTi alloy is inherent to that of pure Ti. When the specific heat capacity of NiTi alloy is calculated by Neuman Kopp, in the temperature region of phase transformation and the temperature higher than 400 K, the results are not desirable.[展开更多
The heat capacity of Na2W2O7(s) has been measured using the dropcalorimetry method with a high temperature calorimeter HT1000 in the temperaturerange of 273-974K. The resultS can be represented by the equation C,o/J K...The heat capacity of Na2W2O7(s) has been measured using the dropcalorimetry method with a high temperature calorimeter HT1000 in the temperaturerange of 273-974K. The resultS can be represented by the equation C,o/J K-lmol'=229.50+8.5O52×10-2T-3.833×10°T-2展开更多
A<sub>2</sub>FeCoO<sub>6-δ</sub> (A = Ca or Sr) is synthesized by the solid-state synthesis method and their specific heat capacities are evaluated at 40˚C using a heat flow meter. The effect ...A<sub>2</sub>FeCoO<sub>6-δ</sub> (A = Ca or Sr) is synthesized by the solid-state synthesis method and their specific heat capacities are evaluated at 40˚C using a heat flow meter. The effect of the A-cation size on the specific heat capacity of these compounds is observed. The specific heat capacity of Sr<sub>2</sub>FeCoO<sub>6-δ</sub> is found to be the highest, and that of Ca<sub>2</sub>FeCoO<sub>6-δ</sub> is the lowest while CaSrFeCoO<sub>6-δ</sub> shows the intermediate value. The specific heat capacity decreases with the decrease of the average A-site ionic radius, demonstrating the relationship between heat capacity and A-site ionic radius. The relationship between specific heat capacity and molar mass is also confirmed as the δ value decreases or molar mass increases from Ca<sub>2</sub>FeCoO<sub>6-δ</sub> to CaSrFeCoO<sub>6-δ</sub> to Sr<sub>2</sub>FeCoO<sub>6-δ</sub>.展开更多
文摘Isobaric molar heat capacity affected by pressures for non-ideal gases is calculated theoretically at specified temperatures by means of gaseous equations of state,i.e.Redlish-Kwong(RK)Equation,SoaveRedlich-Kwong(SRK)Equation,Peng-Robinson(PR)Equation,Virial Equation,coupled with Romberg numeric integral via solving the key obstacle(δV/δT)_(p),and integral(δ^(2)V/δT^(2))_(p).As an example,methane's C_(p)is calculated at constant 300 K but 1 MPa&10 MPa.The calculation results show that less than 2%relative errors occur in comparison with literature values at any specified temperatures and pressures if no phase change survives at elevated pressure P_(2)and temperature T,or when specified temperatures are greater than critical temperatures in spite of elevated pressures.However,greater errors would be present if gases were considered to be ideal,or if temperatures are lower than critical temperatures at elevated pressures(>10 MPa),because C_(p)is the function of both temperature and pressure.In particular,elevated pressures have significant effect on C_(p).
基金financially supported by the National Natural Science Foundation of China(22208253)the Key Laboratory of Hubei Province for Coal Conversion and New Carbon Materials(Wuhan University of Science and Technology,WKDM202202).
文摘Ionic liquids(ILs),because of the advantages of low volatility,good thermal stability,high gas solubility and easy recovery,can be regarded as the green substitute for traditional solvent.However,the high viscosity and synthesis cost limits their application,the hybrid solvent which combining ILs together with others especially water can solve this problem.Compared with the pure IL systems,the study of the ILs-H_(2)O binary system is rare,and the experimental data of corresponding thermodynamic properties(such as density,heat capacity,etc.)are less.Moreover,it is also difficult to obtain all the data through experiments.Therefore,this work establishes a predicted model on ILs-water binary systems based on the group contribution(GC)method.Three different machine learning algorithms(ANN,XGBoost,LightBGM)are applied to fit the density and heat capacity of ILs-water binary systems.And then the three models are compared by two index of MAE and R^(2).The results show that the ANN-GC model has the best prediction effect on the density and heat capacity of ionic liquid-water mixed system.Furthermore,the Shapley additive explanations(SHAP)method is harnessed to scrutinize the significance of each structure and parameter within the ANN-GC model in relation to prediction outcomes.The results reveal that system components(XIL)within the ILs-H_(2)O binary system exert the most substantial influence on density,while for the heat capacity,the substituents on the cation exhibit the greatest impact.This study not only introduces a robust prediction model for the density and heat capacity properties of IL-H_(2)O binary mixtures but also provides insight into the influence of mixture features on its density and heat capacity.
文摘There are at least two valid approaches to the thermodynamics of electrons in metals. One takes a microscopic view, based on models of electrons in metals and superconductor and uses statistical mechanics to calculate the total thermodynamic functions for the model-based system. Another uses partial molar quantities, which is a rigorous thermodynamic method to analyze systems with components that can cross phase boundaries and is particularly useful when applied to a system composed of interacting components. Partial molar quantities have not been widely used in the field of solid state physics. The present paper will explore the application of partial molar electronic entropy and partial molar electronic heat capacity to electrons in metals and superconductors. This provides information that is complementary information from other approaches to the thermodynamics of electrons in metals and superconductors and can provide additional insight into the properties of those materials. Furthermore, the application of partial molar quantities to electrons in metals and superconductors has direct relevance to long-standing problems in other fields, such as the thermodynamics of ions in solution and the thermodynamics of biological energy transformations. A unifying principle between reversible and irreversible thermodynamics is also discussed, including how this relates to the completeness of thermodynamic theory.
基金Project(082102230035)supported by the Foundation of Science and Technology Department of Henan Province,China
文摘The specific heat capacities of Cu60Zr20Hfl0Til0 bulk metallic glass （BMG） and crystallized alloys were measured from 2 to 101 K. The effect of crystallization on the specific heat capacity of the BMG was studied. The effects of crystallization and the relationship between local modes and boson peak in the BMG were discussed. The specific heat capacity deviates from the simple Debye behaviors, showing the presence of local harmonic modes （Einstein oscillator） in the BMG and the crystallized alloy. Model calculation includes the contribution of one Debye mode and two Einstein modes for the BMG, one Debye mode and one Einstein mode for the crystallized alloy, showing an adequate description of the experimental data.
基金Supported by China Petroleum & Chemical Corporation (No.200049).
文摘Experimental densities, viscosities and heat capacities at different temperatures were presented over the entire mole fraction range for the binary mixture of 1,2-propanediol and water. Density values were used in the determination of excess molar volumes, VE. At the same time, the excess viscosity was investigated. The values of VE and E were fitted to the Redlich-Kister equation. Good agreement was observed. The excess volumes are negative over the entire range of composition. They show an U-shaped-concentration dependence and decrease in absolute values with increase of temperature. Values of E are negative over the entire range of the composition, and has a trend very similar to that of VE . The analysis shows that at any temperature the specific heat of mixture is a linear function of the composition as x1 > 20%. All the extended lines intersect at one point. An empirical equation is obtained to calculate the specific heat to mixture at any composition and temperature in the experimental range.
基金Project(50954006) supported by the National Natural Science Foundation of ChinaProject(2009GK3152) supported by Natural Science Foundation of Hunan Province, China+2 种基金Project(21KZ) supported by Scientific Research Fund of Hunan Provincial Education Department, ChinaProject supported by the Opening Measuring Fund of Large Precious Apparatus, ChinaProject supported by the State Key Laboratory of Powder Metallurgy, China
文摘Isometric heat capacity cv and isobar heat capacity cp of Ru metal in HCP,FCC,BCC and liquid state were calculated by using pure element systematic theory.The results are in good agreement with joint army-navy-air force(JANAF) experimental value and the calculation result by first-principle(FP) method.But the results have great differences in contrast to Scientific Group Thermodata Europe(SGTE) database.The cause is found that it cannot neglect the electron devotion to heat capacity to adjust cp in one-atom(OA) method.The disparity between OA method and SGTE database was discussed.The main cause is that OA method adopts the crosspoint with iso-Ec-line and iso-a-line in hybritriangle to determine the properties,but SGTE database is obtained by extrapolation from activity measurements and critical assessment of data from a large number of binary system.Thermodynamic properties of Ru metal in HCP,FCC,BCC and liquid state,such as entropy S,enthalpy H and Gibbs energy G were calculated.Therefore,the full description of thermodynamic properties from 0 K to random temperature is implemented.
基金the National Natural Science Foundation of China (No. 29971004), and the Funds of Ministry of Education of China for Assistant
文摘The dominant phase ZrV2O7 material, doped with zirconia and vanadium (V) oxide, was synthesized by solid state reaction and sol-gel methods. X-ray power diffraction patterns show that it is cubic structure. Thermal mechanic analysis measurements exhibit a zero-thermal expansion of this material above 150 degreesC. Meanwhile, the heat capacity dependent on temperature, determined by differential scanning calorimetry, keeps in constant almost in the same temperature range. The relationship between unusual thermal expansion and abnormal heat capacity is discussed with Gruneisen parameter.
基金Natural Science Foundation of Henan Province(No.0211020800)
文摘The thermodynamic properties of different geometric structures of 1,2-cyclohexanediol which were rarely reported in literature, such as combustion enthalpy, formation enthalpy, melting enthalpy and heat ca-pacities, were determined by NETZSCH DSC 204 Scanning Calorimeter. The relationship between the melting point and the composition for the mixture system of cis-1,2-cyclohexanediol and trans-1,2-cyclohexanediol was investigated and corresponding phase diagram was obtained. 'The melting enthalpies of both cis-1,2-cyclohexanediol and trans-1,2-cyclohexanediol are 20.265kJ·mol-1 and 16.368kJ·mol-1 respectively. The standard combustion enthalpies of cia- and trans-1,2-cyclohexaneddiol were determined by calorimeter. They are respec-tively -3507.043 kJ·mol-1 and - 3497.8 kJ·mol-1 at 298.15 K.The standard formation enthalpies are respectively 568.997 kJ·mol-1 and 578.240 kJ·mol-1 for cia- and trans -1,2-cyclohexaneddiol.
基金Supported by China Petrochemical Corporation (No. 200049).
文摘Experimental densities, viscosities and heat capacities atdifferent temperatures were presented over the entire range of molefraction for the binary mixture of p-xylene and acetic acid. Densityvalues were used in the determination of excess molar volumes, V^E.At the same time, the excess viscosity and excess molar heatcapacities were calculated. The values of V^E, η~E and c^E_p werefitted to the Redlich-Kister equation. Good agreements were observed.The excess molar volumes are positive with a large maximum valuelocated in the central concentration range.
文摘The thermal decomposition process was studied by the TG–DTA analyzer. The results show that the decomposition process of sodium hydroxyethyl sulfonate consisted of three stages: the mass loss for the first, the second and third stages may be about the groups of CH_3CH_2OH, CH_3CHO and SO_2 volatilized, respectively. The decomposition residuum of three stages was analyzed by FT-IR, and the results of FT-IR agreed with the decomposition process predicted by theoretical weight loss. The specific heat capacity of sodium hydroxyethyl sulfonate was determined by differential scanning calorimetry(DSC). The melting temperature and melting enthalpy were obtained to be 465.41 K and 25.69 kJ·mol^(-1), respectively. The molar specific heat capacity of sodium hydroxyethyl sulfonate was determinated from 310.15 K to 365.15 K and expressed as a function of temperature.
基金This work was supported by College of Engineering and Technology,the American University of the Middle East,Kuwait.Homepage:https://www.aum.edu.kw.
文摘Nanofluids are extensively applied in various heat transfer mediums for improving their heat transfer characteristics and hence their performance.Specific heat capacity of nanofluids,as one of the thermophysical properties,performs principal role in heat transfer of thermal mediums utilizing nanofluids.In this regard,different studies have been carried out to investigate the influential factors on nanofluids specific heat.Moreover,several regression models based on correlations or artificial intelligence have been developed for forecasting this property of nanofluids.In the current review paper,influential parameters on the specific heat capacity of nanofluids are introduced.Afterwards,the proposed models for their forecasting and modeling are proposed.According to the reviewed works,concentration and properties of solid structures in addition to temperature affect specific heat capacity to large extent and must be considered as inputs for the models.Moreover,by using other effective factors,the accuracy and comprehensive of the models can be modified.Finally,some suggestions are offered for the upcoming works in the relevant topics.
基金support from North Atlantic Treaty Organization (NATO) under "Fellowship Grant/004- 005/2002"
文摘This work continued our general research program on obtaining metallic cerium by electrodeposition from NaCeF4 dis-solved in different molten fluorides. The structure of NaCeF4 （cubic or hexagonal depending on the way of preparation） was estab-lished by DTA analysis, IR spectra and X-ray diffraction. The heat capacity （Cp） of NaCeF4 was measured by differential scanning calorimetry in the temperature range of 300-1093 K using the“step-method”. The Cp was fitted by an equation with a satisfactory re-sult. Heat capacity was compared with that calculated from the Neumann-Kopp rule （NKR） and the deviations observed were consis-tent with the stability of the NaCeF4 compound.
基金Basic Research Project of Liaoning Provincial Department of Education(No.LJKMZ20220829)Guangxi Key Laboratory of Information Materials(Guilin University of Electronic Technology)(No.211006-K)。
文摘Co_((1-x))ZnxFe_(2)O_(4)nanospheres(x=0,0.5,0.8)with a unidirectional cubic spinel structure were prepared by a solvothermal method.By using a range of theoretical and empirical models,the experimental heat capacity values were fitted as a function of temperature over a suitable temperature range to explain the possible relationship between the magnetic properties and microstructure of the nanospheres.As a result,at a low temperature(T<10 K),the parameter Bfswdecreases with increasing Zn concentration,implying that the exchange interaction between A and B sites decreases.At a relatively high temperature(T>50 K),the Debye temperature decreases with increasing Zn concentration,which is due to the weakening of the interatomic bonding force after the addition of non-magnetic materials to the Co Fe_(2)O_(4)spinel ferrite.
基金Supported by the National Natural Science Foundation of China(No.20803058)Xi’an Scientific and Technical Plan Foundation, China(No.YF07106).
文摘A new compound, [（NH2）2C=NH2]＋N（NO2）2-（GDN）, was prepared by mixing ammonium dinitramide （ADN） and guanidine hydrochloride in water. The thermal behavior of GDN was studied under the non-isothermal conditions with DSC and TG/DTG methods. The apparent activation energy（E） and pre-exponential constant（A） of the exothermic decomposition stage of GDN were 118.75 kJ/mol and 10^10.86 s^-1, respectively. The critical temperature of the thermal explosion（Tb） of GDN was 164.09 ℃. The specific heat capacity of GDN was determined with the Micro-DSC method and the theoretical calculation method, and the standard molar specific heat capacity was 234.76 J·mol^-1·K^-1 at 298.15 K. The adiabatic time-to-explosion of GDN was also calculated to be a certain value between 404.80 and 454.95 s.
文摘Low-temperature heat capacities of pyrimethanil decylate （ C22 H33 N3 O2 ） were precisely measured with an automated adiabatic calorimeter over the temperature range from 78 to 373 K. The sample was observed to melt at （311.04 ± 0.06） K. The molar enthalpy and entropy of fusion as well as the chemical purity of the compound were determined to be（45876± 12） J/mol, （147. 50 ±0. 05） J. mol^-1 · K^-1 and （99. 21 ±0. 03）% （mass fraction）, respectively. The extrapolated melting temperature for the absolutely pure compound obtained from fractional melting experiments is （311. 204±0. 035 ） K.
文摘Constant-volume heat capacities of supercritical (SC) CO2, SC CO2-n-pentane, and SC CO2-n-heptane mixtures were determined at 308.15 K in the pressure range from 6 to 12 MPa. It was found that there is a maximum in each heat capacity vs pressure curve. Intermolecular interaction in the fluids was studied.
文摘This paper is based on Einstein’s supposition about crystal lattice vibration, which states that when Einstein’s temperature ΘE is not less than the crystal temperature T but less than 2T, the expression of crystal molar heat capacity changes to the Dulong-Petit equation Cv=3R. Thereby this equation can explain why crystal molar heat capacity equals about 3R not only at low temperatures but also at normal temperatures for many kinds of metals. It can be calculated that the nonlinear interaction among atoms contributes to the molar heat capacity using the coefficient of expansion β and the Grüneisen constant γ. The result is that the relative error between the theoretical and the experimental value of the molar heat capacity is reduced greatly for many kinds of metals, especially for metals of IA. The relative error can be cut by about 17%.
文摘The specific heat capacity of NiTi alloy at constant pressure using MDSC (Modulated differential scanning calorimeter) was determined. It was found that the variation tendencies of the specific heat capacity for different phases are different. The fitting equations of the specific heat capacity for martensite and austenite phases were presented. Then, a reason, based on thermodynamic point of view, was proposed to explain the difference of the specific heat capacity between martensitic and austenitic phases. Finally, compared with the specific heat capacity of pure Ni and Ti, it was found that the specific heat capacity of NiTi alloy is inherent to that of pure Ti. When the specific heat capacity of NiTi alloy is calculated by Neuman Kopp, in the temperature region of phase transformation and the temperature higher than 400 K, the results are not desirable.[
文摘The heat capacity of Na2W2O7(s) has been measured using the dropcalorimetry method with a high temperature calorimeter HT1000 in the temperaturerange of 273-974K. The resultS can be represented by the equation C,o/J K-lmol'=229.50+8.5O52×10-2T-3.833×10°T-2
文摘A<sub>2</sub>FeCoO<sub>6-δ</sub> (A = Ca or Sr) is synthesized by the solid-state synthesis method and their specific heat capacities are evaluated at 40˚C using a heat flow meter. The effect of the A-cation size on the specific heat capacity of these compounds is observed. The specific heat capacity of Sr<sub>2</sub>FeCoO<sub>6-δ</sub> is found to be the highest, and that of Ca<sub>2</sub>FeCoO<sub>6-δ</sub> is the lowest while CaSrFeCoO<sub>6-δ</sub> shows the intermediate value. The specific heat capacity decreases with the decrease of the average A-site ionic radius, demonstrating the relationship between heat capacity and A-site ionic radius. The relationship between specific heat capacity and molar mass is also confirmed as the δ value decreases or molar mass increases from Ca<sub>2</sub>FeCoO<sub>6-δ</sub> to CaSrFeCoO<sub>6-δ</sub> to Sr<sub>2</sub>FeCoO<sub>6-δ</sub>.
