JOURNAL OF CHEMICAL THERMODYNAMICS化学热力学杂志
JOURNAL OF CHEMICAL THERMODYNAMICS(英文缩写 J CHEM THERMODYN),ISSN 0021-9614,eISSN 1096-3626,中文译名:化学热力学杂志 是一本学术期刊。本页汇总该期刊的最新影响因子、分区信息以及最新收录于 PubMed 的文献,帮助您快速了解期刊全貌。
发文量统计区间：2025-09-27 至 2026-09-27，按本站收录文献的发表日期统计。
期刊介绍
历年影响因子趋势
| JCR 数据年份 | 影响因子 | JCR 分区 |
|---|---|---|
| 2021 | 3.269 | Q2 |
| 2022 | 2.600 | Q2 |
| 2023 | 2.200 | Q2 |
| 2024 | 2.200 | Q2 |
| 2025 | 2.500 | Q2 |
JOURNAL OF CHEMICAL THERMODYNAMICS 最新收录文献
-
1. Corrections to standard state in combustion calorimetry: an update and a web-based tool.
PMID:日期:2021-07-01Combustion calorimetry is the predominant method for determination of enthalpies of formation for organic compounds. Both initial and final states of the calorimeter deviate significantly from the standard conditions. Correction of the obtained results to the standard state must be applied as accurately as possible to determine the combustion energy with an acceptable uncertainty, which is typically a few hundredths of a percent. The correction procedures in their current form were introduced in 1956 with simplifications to allow application in a pre-computer era. In this work, the procedures have been updated with respect to both the equations and reference values. The most reliable data sources are identified, and the updated algorithm is presented in the form of a Web-based tool available through the NIST TRC Web site.
-
2. ENTHALPY OF FORMATION OF AQUEOUS HYDROFLUORIC ACID: REVISION NEEDED?
PMID:日期:2020-01-01Accurate enthalpies of formation of hydrofluoric acid in the gas and liquid states as well as in aqueous solutions are critical for reduction and interpretation of combustion calorimetry data for fluorinated compounds. Analysis of current recommendations reveals inconsistencies with the existing literature that can significantly affect experimental values derived using these recommendations. Through thorough and comprehensive analysis of available experimental data, including the sources not considered before, we provide recommendations that substantially improve consistency with these results. However, the scatter in the existing data also prevents further improvements and uncertainty reduction. New experimental data, particularly for aqueous HF solutions, are needed to advance.
-
3. Hypercooling limit, heat of fusion, and temperature-dependent specific heat of Fe-Cr-Ni melts.
PMID:日期:2019-11-01Thermophysical properties of Fe-Cr-Ni melts are studied using electrostatic levitation and rapid solidification techniques. Six hypoeutectic FeCr Ni alloys with a Cr/Ni ratio of around 0.8 were melted and solidified at different degrees of undercooling. From the observed relationship between the undercooling and thermal plateau time, the hypercooling limit and heat of fusion of FeCr Ni melts are determined as a function of Cr mass fraction. A ratio of specific heat and total hemispherical emissivity of the Fe-Cr-Ni melts is calculated using the time-temperature profiles. A new method is presented to evaluate the temperature dependence of specific heat for undercooled melts and applied to this alloy family.
-
4. Thermodynamic Properties of Organic Substances: Experiment, Modeling, and Technological Applications.
PMID:日期:2019-04-01In this review, results of the studies of thermodynamic properties of organic substances conducted at the Chemistry Department of the Belarusian State University (Minsk, Belarus) over a period of more than 50 years are summarized. Emphasis is made on precise measurements (both calorimetry and equilibria) and prediction methods, including group-contribution, quantum chemical, and statistical mechanical, for a broad range of thermodynamic properties of various classes of chemical substances. The principal purposes of these studies were to establish relationships between thermodynamic properties of organic substances and their molecular structure, develop methods of extrapolation and prediction of the properties of substances lacking experimental data, and provide thermodynamic background for innovative energy- and resource-saving technologies.
-
5. Thermodynamic behavior and polymorphism of 1-butyl-3-methylimidazolium hexafluorophosphate composites with multiwalled carbon nanotubes.
PMID:日期:2019-01-01Based on room-temperature densities measured in this research for ionic nanofluids (INFs) with four ionic liquids (ILs), we conclude that evacuation is a necessary step to maximize the IL penetration into multiwalled carbon nanotubes (MWCNT). An improved procedure for reproducible preparation of INFs is proposed. Thermal behavior of five (1-butyl-3-methylimidazolium hexafluorophosphate + MWCNT) samples was studied by adiabatic calorimetry over the temperature range (78 to 370) K. The samples contained from 0.11 to 0.92 mass fraction of the nanophase. Their appearance changed from the fluid to the powder with increasing the MWCNT content. For the fluid samples, the specific heat capacity was found be an additive quantity of the specific heat capacities of the components for the crystal and liquid phases, and the temperatures of phase transitions did not change relative to the bulk values. For the powder-like sample with the highest IL content, a sigmoidal heat capacity curve was observed. Thus, the internal diameter of the studied MWCNT was small enough to switch from the isothermal melting process to the gradual transition from the crystal-like structures to the liquid-like ones.
-
6. {"_":"Validation of thermophysical data for scientific and engineering applications.","sup":[""]}
PMID:日期:2019-01-01High quality thermophysical property data are essential to many scientific and engineering applications. These data are produced at a high rate and are affected by a range of experimental and reporting error sources that often exceed stated uncertainties. As a result, critical evaluation is required to establish the limits of reliability in a quantified way. The present work describes reporting recommendations and property data validation methods developed and applied at the Thermodynamics Research Center at NIST through the use of the ThermoData Engine (TDE; SRD 103a/b) software. Examples are provided with an emphasis on various consistency checks, which may include the use of equations of state (EOS).
-
7. Polymorphism and thermophysical properties of L- and DL-menthol.
PMID:日期:2019-01-01The thermodynamic properties, phase behavior, and kinetics of polymorphic transformations of racemic (DL-) and enantiopure (L-) menthol were studied using a combination of advanced experimental techniques, including static vapor pressure measurements, adiabatic calorimetry, Tian-Calvet calorimetry, differential scanning calorimetry (DSC), and variable-temperature X-ray powder diffraction. Several concomitant polymorphs (, , , and forms) were observed and studied. A continuous transformation to the stable form was detected by DSC and monitored in detail using X-ray powder diffraction. A long-term coexistence of the stable crystalline form with the liquid phase was observed. The vapor pressure measurements of both compounds were performed using two static apparatus over a temperature range from 274 K to 363 K. Condensed-phase heat capacities were measured by adiabatic and Tian-Calvet calorimetry in the wide temperature interval from 5 K to 368 K. Experimental data of L- and DL-menthol are compared mutually as well as with available literature results. The thermodynamic functions of crystalline and liquid L-menthol between 0 K and 370 K were calculated from the calorimetric results. The thermodynamic properties in the ideal-gas state were obtained by combining statistical thermodynamics and quantum chemical calculations based on a thorough conformational analysis. Calculated ideal-gas heat capacities and experimental data on vapor pressure and condensed-phase heat capacity were treated simultaneously to obtain a consistent thermodynamic description. Based on the obtained results, the phase diagrams of L-menthol and DL-menthol were suggested.
-
8. Thermodynamic properties of 2-methylindole: experimental and computational results for gas-phase entropy and enthalpy of formation.
PMID:日期:2018-10-01Measurements leading to the calculation of thermodynamic properties in the ideal-gas state for 2-methylindole (Chemical Abstracts registry number [95-20-5]) are reported. Experimental methods were adiabatic heat-capacity calorimetry, differential scanning calorimetry (d.s.c.), comparative ebulliometry, inclined-piston manometry, and oxygen bomb calorimetry. The critical temperature of 2-methylindole was determined experimentally with d.s.c. Molar thermodynamic functions for the condensed and ideal-gas states were derived from the experimental results. Statistical calculations were performed based on molecular geometry optimization and vibrational frequencies using B3LYP hybrid density functional theory with the def2-TZVPPD basis set. Excellent accord between computed and experimentally-derived ideal-gas entropies is shown. The enthalpy of formation for 2-methylindole in the gas phase was computed with an atomization-based protocol described recently, and excellent agreement with the experimental values is seen. The experimental literature for enthalpies of formation in the gas phase for 1- and 2-ring pyrrollic compounds is reviewed, and comparisons with computed values further support the findings here. All experimental results are compared with property values reported in the literature, where possible.
-
9. Complexation of thorium with pyridine monocarboxylate-N-oxides: Thermodynamic and computational studies.
PMID:日期:2018-07-01The feed wastes and waste water treatment plants are the major sources for the entry of N-oxides into the soils then to aquatic life. The complexation of actinides with potentially stable anthropogenic ligands facilitate the transportation and migration of the actinides from the source confinement. The present study describes the determination of thermodynamic parameters for the complexation of Th(IV) with the three isomeric pyridine monocarboxylates (PCNO) namely picolinic acid-N-oxide (PANO), nicotinic acid-N-oxide (NANO) and isonicotinic acid-N-oxide (IANO). The potentiometric and isothermal calorimetric titrations were carried out to determine the stability and enthalpy of the formations for all the Th(IV)-PCNO complexes. Th-PANO complexes are more stable than Th-NANO and Th-IANO complexes which can be attributed to chelate formation in the former complexes. Formation of all the Th-PCNO complexes are endothermic and are entropy driven. The geometries for all the predicted complexes are optimized the energies, bond distances and charges on individual atoms are obtained using TURBOMOLE software. The theoretical calculation corroborated the experimental determinations.
-
10. {"_":"Measurements of Enthalpy of Sublimation of Ne, N, O, Ar, CO, Kr, Xe, and HO using a Double Paddle Oscillator.","sub":["2","2","2","2"]}
PMID:日期:2018-03-01We report precise experimental values of the enthalpy of sublimation (Δ ) of quenched condensed films of neon (Ne), nitrogen (N), oxygen (O), argon (Ar), carbon dioxide (CO), krypton (Kr), xenon (Xe), and water (HO) vapor using a single consistent measurement platform. The experiments are performed well below the triple point temperature of each gas and fall in the temperature range where existing experimental data is very limited. A 6 cm and 400 µm thick double paddle oscillator (DPO) with high quality factor (Q ≈ 4 × 10 at 298K) and high frequency stability (33 parts per billion) is utilized for the measurements. The enthalpies of sublimation are derived by measuring the rate of mass loss during temperature programmed desorption. The mass change is detected due to change in the resonance frequency of the self-tracking oscillator. Our measurements typically remain within 10% of the available literature, theory, and National Institute of Standards and Technology (NIST) () values, but are performed using an internally consistent method across different gases.