Ab initio calculations of the interaction potentials and thermodynamic functions for ArN and ArN+
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27078
Abstract: Argon compounds play an important role in the mass spectrometry with inductively coupled plasma and other applications. At the same time, there is a little knowledge of their electronic terms and thermodynamic functions due to… read more here.
Keywords: interaction potentials; initio calculations; thermodynamic functions; calculations interaction ... See more keywords
Accurate Prediction of Thermodynamic Functions of H2 and LiH Using Theoretical Calculations
Sign Up to like & getrecommendations! Published in 2020 at "International Journal of Thermophysics"
DOI: 10.1007/s10765-020-2615-0
Abstract: Thermodynamic functions of two diatomic molecules gas, H2 and LiH, from theoretical point of view were predicted. The Schrodinger equation was analytically solved with the generalized Morse potential using Nikiforov–Uvarov method. The energy eigenvalues were… read more here.
Keywords: thermodynamic functions; mass; functions lih; prediction thermodynamic ... See more keywords
Enthalpy increments and thermodynamic functions of rare earth samarium titanates RESmTi2O7(s) (RE = Gd,Dy)
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Thermal Analysis and Calorimetry"
DOI: 10.1007/s10973-018-7125-y
Abstract: Enthalpy measurements have been taken on GdSmTi2O7 and DySmTi2O7 by using a high-temperature differential calorimeter at temperature between 800 and 1655 K. Thermodynamic function, such as heat capacity, entropy and Gibbs energy functions of GdSmTi2O7 and… read more here.
Keywords: enthalpy increments; increments thermodynamic; text text; gdsmti2o7 dysmti2o7 ... See more keywords
Critical assessment of mixing thermodynamic functions of Fe–Al binary melts based on atom–molecule coexistence theory
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Iron and Steel Research International"
DOI: 10.1007/s42243-019-00301-2
Abstract: In order to further verify the accuracy and feasibility of the calculated mass action concentrations $$N_{i}$$ N i of Al and Fe by the developed atom and molecule coexistence theory (AMCT) model, i.e., AMCT– $$N_{i}$$ N… read more here.
Keywords: mixing thermodynamic; functions binary; molar mixing; thermodynamic functions ... See more keywords
Effects of Er2O3 content on heat capacity, thermodynamic functions and vitrification characteristics of Er3 +-doped tellurite glass
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Non-crystalline Solids"
DOI: 10.1016/j.jnoncrysol.2017.06.020
Abstract: Abstract A series of samples of high-purity glasses TeO 2 -WO 3 -La 2 O 3 -Er 2 O 3 -Bi 2 O 3 with different mole content of Er 2 O 3 was synthesized.… read more here.
Keywords: glass; heat capacity; effects er2o3; thermodynamic functions ... See more keywords
Particle Size and Temperature Effects on Surface Thermodynamic Functions and Particle Size Effects on Prescribed Thermodynamic Functions for Cadmium Sulfide Nanospheres
Sign Up to like & getrecommendations! Published in 2021 at "Materials Chemistry and Physics"
DOI: 10.1016/j.matchemphys.2020.124050
Abstract: Abstract Spherical cadmium sulfide (CdS), with five kinds of particle size ranging from 31 nm to 117 nm were synthesized by microemulsion method. The phase composition and morphology of CdS were characterized by field emission scanning electron… read more here.
Keywords: particle size; cadmium sulfide; size; surface thermodynamic ... See more keywords
Solubility and thermodynamic functions measurement of morin hydrate in different alcohols
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2017.02.117
Abstract: Abstract Solubility of morin hydrate was measured in five pure alcohols (methanol, ethanol, propan-1-ol, propan-2-ol, and butan-1-ol) at 298.15 K as well as in different aqueous solutions of ethanol in a temperature range from 298.15 to… read more here.
Keywords: solubility thermodynamic; morin hydrate; functions measurement; solubility ... See more keywords
Crystal structure, chemical bonds nature and thermodynamic functions for the new ionic liquid pyridinium bis(dihydrogen phosphate)
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2021.131363
Abstract: Abstract A crystal structure (confirmed via single X-ray diffraction analysis) of the new ionic liquid pyridinium bis(dihydrogen phosphate) ([H–Pyr]+([H2PO4]–)2) is presented in this work for the first time. Optimized molecular geometry of [H–Pyr]+([H2PO4]–)2 is determined… read more here.
Keywords: bonds nature; chemical bonds; dihydrogen phosphate; structure ... See more keywords
Determination of the thermodynamic functions of bismuth chalcoiodides by EMF method with morpholinium formate as electrolyte
Sign Up to like & getrecommendations! Published in 2019 at "Thermochimica Acta"
DOI: 10.1016/j.tca.2019.178319
Abstract: Abstract Thermodynamic properties of bismuth chalcoiodides were determined experimentally by means of the electromotive force method (EMF) measurements of the (-) Bi (solid) / ionic liquid, Bi 3+ / (Bi in alloy) (solid) (+) concentration… read more here.
Keywords: thermodynamic functions; functions bismuth; bismuth chalcoiodides; morpholinium formate ... See more keywords
Thermodynamic Functions for Solubility of 1-Hydroxybenzotriazole in Sixteen Solvents at Temperatures from (278.15 to 313.15) K and Mixing Property of Mixtures
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.7b00316
Abstract: Solubility of 1-hydroxybenzotriazole in 16 neat solvents including methanol, ethanol, n-propanol, isopropanol, acetone, butanone, isoamyl alcohol, n-hexanol, n-heptanol, isooctyl alcohol, N,N-dimethylformamide (DMF), dimethyl sulfoxide (DMSO), ethyl acetate, acetonitrile, 1,4-dioxane, and toluene was measured using the… read more here.
Keywords: functions solubility; 278 313; solubility hydroxybenzotriazole; solubility ... See more keywords
Thermodynamic Functions of PtS2 in a Wide Temperature Range
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DOI: 10.1134/s002016852002017x
Abstract: The thermodynamic properties of crystalline platinum disulfide have been studied in the range from 5 to 875 K. The isobaric heat capacity of PtS2 has been determined by two methods: by adiabatic calorimetry from 5.32… read more here.
Keywords: range; functions pts2; temperature; temperature range ... See more keywords