Low Temperature Heat Capacities and Thermodynamic Properties of Zinc L-Threonate Zn(C_4H_7O_5)_2(s) by Adiabatic Calorimetry

Low-temperature heat capacities of the solid compound Zn（C4H7O5）2（s） were measured in a temperature range from 78 to 374 K, with an automated adiabatic calorimeter. A solid-to-solid phase transition occurred in the temperature range of 295？322 K. The peak temperature, the enthalpy, and entropy of the phase transition were determined to be （316.269±1.039） K, （11.194±0.335） kJ？mol-1, and （35.391±0.654） J？K-1？mol-1, respectively. The experimental values of the molar heat capacities in the temperature regions of 78？295 K and 322？374 K were fitted to two polynomial equations of heat capacities（Cp,m） with reduced temperatures（X） and [X = f（T）], with the help of the least squares method, respectively. The smoothed molar heat capacities and thermodynamic functions of the compound, relative to that of the standard reference temperature 293.15 K, were calculated on the basis of the fitted polynomials and tabulated with an interval of 5 K. In addition, the possible mechanism of thermal decomposition of the compound was inferred by the result of TG-DTG analysis.

Low-temperature Heat Capacities and Thermodynamic Properties of Hydrated Sodium Cupric Arsenate [NaCuAsO_4·1.5H_2O(s)]

Low-temperature heat capacities of the solid compound NaCuAsO4·1.5H2O（s）were measured using a precision automated adiabatic calorimeter over a temperature range of T=78 K to T=390 K.A dehydration process occurred in the temperature range of T=368-374 K.The peak temperature of the dehydration was observed to be TD=（371.828±0.146）K by means of the heat-capacity measurement.The molar enthalpy and entropy of the dehydration were ΔDHm=（18.571±0.142）kJ/mol and ΔDSm=（49.946±0.415）J/（K·mol）,respectively.The experimental values of heat capacities for the solid（Ⅰ）and the solid-liquid mixture（Ⅱ）were respectively fitted to two polynomial equations by the least square method.The smoothed values of the molar heat capacities and the fundamental thermodynamic functions of the sample relative to the standard reference temperature 298.15 K were tabulated at an interval of 5 K.

Crystal Structure and Thermodynamic Study of Ephedrine Hydrochloride C_(10)H_(16)NOCl(s)

The crystal structure of ephedrine hydrochloride was determined by means of X-ray crystallography. The crystal system of the compound is monoclinic, and the space group is P21. Unit cell parameters are a=0.7308（6） nm, b=0.6124（5） nm, and c= 1.2618（11） nm; β=90°, β= 102°, and γ =90°; Z=2. Low-temperature heat capacities of the title compound were measured with an improved precision automated adiabatic calorimeter over a temperature range from 77 K to 396 K. A polynomial equation of the heat capacities as a function of temperature in the temperature region was fitted by the least-squares. Based on the fitted polynomial equation, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15 K were calculated and tabulated at the intervals of 5 K.

Low-temperature heat capacities and standard molar enthalpy of formation of pyridine-2,6-dicarboxylic acid

This paper reports that the low-temperature heat capacities of pyridine-2,6-dicarboxylic acid were measured by a precision automatic calorimeter over a temperature range from 78 K to 380 K. A polynomial equation of heat capacities as a function of temperature was fitted by the least-squares method. Based on the fitted polynomial, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15 K were calculated and tabulated at intervals of 5 K. The constant-volume energy of combustion of the compound was determined by means of a precision rotating-bomb combustion calorimeter. The standard molar enthalpy of combustion of the compound was derived from the constant-volume energy of combustion. The standard molar enthalpy of formation of the compound was calculated from a combination of the datum of the standard molar enthalpy of combustion of the compound with other auxiliary thermodynamic quantities through a Hess thermochemical cycle.

Heat Capacities and Thermodynamic Properties of 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic Acid

The heat capacities of 3-（ 2,2-dichloroethenyl）-2,2-dimethylcyclopropanecarboxylic acid （a racemic mixture, molar ratio of cis-/trans-structure is 35/65） in a temperature range from 78 to 389 K were measured with a precise automatic adiabatic calorimeter. The sample was prepared with a purity of 98.75% （ molar fraction）. A solid-liquid fusion phase transition was observed in the experimental temperature range. The melting point, Tm, enthalpy and en- tropy of fusion, △fusHm, △fusSm, of the acid were determined to be （331.48±0.03 ） K, （16.321±0.031） kJ/mol, and （49.24±0.19） J/（ K·mol）, respectively. The thermodynamic functions of the sample, Ht-H298.15, Sr-S298.15 and Gr-G298.15, were reported at a temperature intervals of 5 K. The thermal decomposition of the sample was studied using thermogravimetric（TG） analytic technique, the thermal decomposition starts at ca. 418 K and ends at ca. 544 K, the maximum decomposition rate was obtained at 510 K. The order of reaction, preexponential factor and activation energy are n =0.23, A =7.3 ×10^7 min^-1 , E =70.64 kJ/mol, respectively.

Heat Capacity and Enthalpy of Fusion of Crystalline Pyrimethanil Decylate(C_(22)H_(33)N_3O_2)

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.

Low-temperature heat capacities and standard molar enthalpy of formation of 4-(2-aminoethyl)-phenol (C_8H_(11)NO)

This paper reports that low-temperature heat capacities of 4-（2-aminoethyl）-phenol （C8H11NO） are measured by a precision automated adiabatic calorimeter over the temperature range from 78 to 400 K. A polynomial equation of heat capacities as a function of the temperature was fitted by the least square method. Based on the fitted polynomial, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15K were calculated and tabulated at the interval of 5K. The energy equivalent, εcalor, of the oxygen-bomb combustion calorimeter has been determined from 0.68g of NIST 39i benzoic acid to be εcalor=（14674.69±17.49）J·K^-1. The constant-volume energy of combustion of the compound at T=298.15 K was measured by a precision oxygen-bomb combustion calorimeter to be ΔcU=-（32374.25±12.93）J·g^-1. The standard molar enthalpy of combustion for the compound was calculated to be ΔcHm = -（4445.47 ± 1.77） kJ·mol^-1 according to the definition of enthalpy of combustion and other thermodynamic principles. Finally, the standard molar enthalpy of formation of the compound was derived to be ΔfHm（C8H11NO, s）=-（274.68 ±2.06） kJ·mol^-1, in accordance with Hess law.

Heat Capacity and Thermodynamic Properties of Crystalline 2-Chloro- N, N-dimethylnicotinamide

Low-temperature heat capacities of 2-chloro-N,N-dimethylnicotinamide were precisely measured with a high-precision automated adiabatic calorimeter over the temperature range from 82 K to 380 K. The compound was observed to melt at （342.15±0.04） K. The molar enthalpy AfusionHm, and entropy of fusion, △fusionSm, as well as the chemical purity of the compound were determined to be （21387±7） J·mol^-1, （62.51±0.01） J·mol^-1·K^-1, （0.9946±0.0005） mass fraction, respectively. The extrapolated melting temperature for the pure compound obtained from fractional melting experiments was （342.25±0.024） K. The thermodynamic function data relative to the reference temperature 298.15 K were calculated based on the heat capacity measurements in the temperature range from 82 to 325 K. The thermal behavior of the compound was also investigated by different scanning calorimetry.

Thermodynamic Investigation of the Azeotropic Mixture Composed of Water and Benzene

The molar heat capacity of the azeotropic mixture composed of water and benzene was measured by an adia-batic calorimeter in the temperature range from 80 to 320 K. The phase transitions took place in the temperature range from 265.409 to 275.165 K and 275.165 to 279.399 K. The phase transition temperatures were determined to be 272.945 and 278.339 K, which were corresponding to the solid-liquid phase transitions of water and benzene, respectively. The thermodynamic functions and the excess thermodynamic functions of the mixture relative to stan-dard temperature 298.15 K were derived from the relationships of the thermodynamic functions and the function of the measured heat capacity with respect to temperature.

Heat Capacities and Thermodynamic Properties of Lanthanum/Holmium Perchlorate Complexes with Glycine

The heat capacities of the two complexes, [La 2(Gly) 6(H 2O) 4]^(ClO 4) 6 and [Ho 2(Gly) 6(H 2O) 4](ClO 4) 6·2H 2O (Gly=glycine), were measured by adiabatic calorimetry in the temperature range from 78 to 375 K. A solid solid phase transition was found between 322 87 and 342 29 K for [Ho 2(Gly) 6(H 2O) 4](ClO 4) 6·2H 2O, and the peak temperature, the enthalpy and the entropy of the transition were obtained to be 330 94 K, 11 65 kJ·mol -1 and 35 20 J·K -1 ·mol -1 , respectively. No indication of any phase transition or thermal anomaly was observed for [La 2(Gly) 6(H 2O) 4]^(ClO 4) 6. Thermal stabilities of the two complexes were investigated by thermogravimetry in the temperature range of 40—800 ℃. The possible mechanisms for the thermal decompositions were proposed according to the TG and DTG curves.

Thermodynamic insights into n-alkanes phase change materials for thermal energy storage

n-Alkanes have been widely used as phase change materials(PCMs) for thermal energy storage applications because of their exceptional phase transition performance, high chemical stability, long term cyclic stability and non-toxicity. However, the thermodynamic properties, especially heat capacity, of n-alkanes have rarely been comprehensively investigated in a wide temperature range, which would be insufficient for design and utilization of n-alkanes-based thermal energy storage techniques. In this study, the thermal properties of n-alkanes(C;H;-C;H;), such as thermal stability, thermal conductivity, phase transition temperature and enthalpy were systematically studied by different thermal analysis and calorimetry methods, and compared with previous results. Thermodynamic property of these n-alkanes was studied in a wide temperature range from 1.9 K to 370 K using a combined relaxation(Physical Property Measurement System, PPMS), differential scanning and adiabatic calorimetry method, and the corresponding thermodynamic functions, such as entropy and enthalpy, were calculated based on the heat capacity curve fitting. Most importantly, the heat capacities and related thermodynamic functions of n-heneicosane and n-docosane were reported for the first time in this work, as far as we know. This research work would provide accurate and reliable thermodynamic properties for further study of n-alkanes-based PCMs for thermal energy storage applications.

Low-Temperature Heat Capacity and Thermal Decomposition of Crystalline[Ho(Thr)(H_2O)_5]Cl_3

Rare earth elements have been widely used in many areas. Rare earth complex bearing an amino acid was synthesized to study the influence and the long term effect of rare earth elements on environment and human beings, because amino acid is the basic unit of the living things. Previous work on these kinds of complex is focused on synthesis and characterization of them. But their thermodynamic data have seldom been reported. Here we present the thermodynamic study of [Ho(H 2O) 5]Cl 3. The heat capacity of Holmium complex with threonine, [Ho(Thr)(H 2O) 5]Cl 3 , was measured with an automatic adiabatic calorimeter in the temperature range from 79 K to 330 K and no thermal anomaly was found in this range. Thermodynamic functions relative to standard state 298 15 K were derived from the heat capacity data. Thermal decomposition behavior of the complex in nitrogen atmosphere in the range from 300 K to 900 K was studied by thermogravimetric (TG) technique and a possible decomposition mechanism was proposed according to the TG DTG results.