Tautomeric Equilibria in Solutions of 2-Phenacylbenzimidazoles by Agnieszka Skotnicka, Przemysław Czeleń, Ryszard Gawinecki

“…., 2-(1,3-dihydro-2H-benzo[d]imidazol-2-ylidene)-1-phenylethan-1-one, was thermodynamically most stable, the results of MP2 ab initio calculations reveal the following order of stability: ketimine > enolimine > enaminone (substituents do not affect this sequence). 13C CPMAS NMR spectral data reveal that in the crystalline state the enolimine tautomer O is predominant in the p-CH3 and p-NO2 substituted congeners.…”
Get full text

Non-equilibrium solidification and microsegregation in centrifugally cast high speed steel for rolls by Klančnik U., Košec B., Mrvar P., Medved J.

“…The prediction was performed using thermodynamic Scheil-Gulliver modelling with Thermo-Calc software. …”
Get full text

Astronomy and Climate-Earth System: Can Magma Motion under Sun-Moon Gravitation Contribute to Paleoclimatic Variations and Earth’s Heat? by Zhiren Joseph Wang, Xiaopei Lin

“…Paleoclimate data have yielded variations with periods of ~23, ~40, and ~100 ky. Thermodynamic changes resulting from orbital eccentricity, obliquity, and precession have been ascribed as the cause of the variations although processes within the oceans and atmosphere may have too short memory to explain such variations. …”
Get full text

Adsorption Characteristics of Polyvinyl Alcohols in Solution on Expanded Graphite by Xiu-Yan Pang

“…Langmuir constants and Gibbs free energy change (⊿G°) were calculated according to experimental data respectively. Thermodynamic analysis indicates the equilibrium adsorbance of PVA on EG increase with the rise of SO42– concentration. …”
Get full text

Equilibrium and Kinetic Studies of the Adsorption of Zn(II) Ions onto Natural and Activated Kaolinites by Ali Riza Kul, Necla Caliskan

“…The experimental data were well fitted by the pseudo-second-order kinetic model. Thermodynamic parameters such as the enthalpy (ΔH 0 ), Gibbs' free energy (ΔG 0 ) and entropy (ΔS 0 ) were calculated for natural, thermally-activated and acid-activated kaolinite. …”
Get full text

Adsorption of Cobalt(II) Ions from Aqueous Solution onto Activated Carbon Prepared from Hazelnut Shells by Erhan Demirbaş

“…The adsorption capacity (Q 0 ) calculated from the Langmuir isotherm was 13.88 mg Co(II)/g carbon at 303 K employing a pH value of 6 and a particle size of 1.00–1.20 mm. The thermodynamic parameters evaluated for the carbon revealed that the adsorption of Co(II) was endothermic in nature.…”
Get full text

Thermo-Hydromechanical Coupling Responses Driven by a Central Heat Source in Unsaturated Soils by Wei Wang, Jingjing Liu, Jing Chen

“…Based on the thermodynamic and thermoelastic theory, the coupled governing equations of deformation, heat transfer, and moisture migration in unsaturated soils were given. …”
Get full text

Energy Analysis in Combined Reforming of Propane by K. Moon, Ganesh R. Kale

“…An energy requirement analysis of steam reforming to dry reforming with intermediate steps of steam reduction and equivalent CO2 addition to the feed fuel for syngas generation has been done to identify condition for optimum process operation. Thermodynamic equilibrium data for combined reforming was generated for temperature range of 400–1000°C at 1 bar pressure and combined oxidant (CO2 + H2O) stream to propane (fuel) ratio of 3, 6, and 9 by employing the Gibbs free energy minimization algorithm of HSC Chemistry software 5.1. …”
Get full text

Continuous Dual Resetting of the Immune Repertoire as a Basic Principle of the Immune System Function by Silvana Balzar

“…The CDR functions as a consequence of system’s thermodynamically determined intrinsic tendency to acquire new states of inner equilibrium and equilibrium against the environment. …”
Get full text

Emergent limit cycles, chaos, and bistability in driven-dissipative atomic arrays by Victoria Zhang, Stefan Ostermann, Oriol Rubies-Bigorda, Susanne F. Yelin

“…We provide conditions on the parameters required to realize the different solutions in the thermodynamic limit. In this limit, only the monostable or bistable regime can be accessed for the parameter values accessible via light-induced dipole-dipole interactions. …”
Get full text

Synthesis of a Molecularly Imprinted Polymer on Silica-Gel Surfaces for the Selective Adsorption of Indole from Fuel Oil by Yang Cao, Wanzhen Xu, Xiangyang Wu, Yuan Li, Hui Li, Weihong Huang

“…According to the results of thermodynamic analysis, the adsorption process is spontaneous. …”
Get full text

Refining potential energy surface through dynamical properties via differentiable molecular simulation by Bin Han, Kuang Yu

“…However, potential refinement is mostly performed using thermodynamic properties, leaving the most accessible and informative dynamical data (like spectroscopy) unexploited. …”
Get full text

Catalytic transformation of carbon dioxide into seven-membered heterocycles and their domino transformation into bicyclic oxazolidinones by Wangyu Shi, Jordi Benet-Buchholz, Arjan W. Kleij

“…This methodology avoids the formation of thermodynamically more stable, smaller-ring by-products and has good functional group tolerance. …”
Get full text

Tea Stem as a Sorbent for Removal of Methylene Blue from Aqueous Phase by Tzan-Chain Lee, Shumao Wang, Zonggui Huang, Zhongxing Mo, Gangxing Wang, Zhuanrong Wu, Chengshun Liu, Hua Han, Tzu-Hsing Ko

“…Adsorption isotherm, kinetic models, thermodynamic investigation, and regenerability of tea stem were systematically investigated in this study. …”
Get full text

Special N-dimensional charged anti-de-Sitter black holes in f(Q) gravitational theory by G.G.L. Nashed

“…Finally, we calculate thermodynamic parameters, including entropy, Hawking temperature, and Gibbs free energy. …”
Get full text

Heat Conduction of Micropolar Solids Sensitive to Mirror Reflections of Three-Dimensional Space by E. V. Murashkin, Y. N. Radayev

“…The Helmholtz free energy per unit doublet pseudoinvariant volume was employed as the thermodynamic state potential of the following functional arguments: absolute temperature, symmetric parts, and accompanying vectors for the linear asymmetric strain tensor and the wryness pseudotensor. …”
Get full text

Optical Absorption and Electron Injection of 4-(Cyanomethyl)benzoic Acid Based Dyes: A DFT Study by Yuehua Zhang, Penghui Ren, Yuanzuo Li, Runzhou Su, Meiyu Zhao

“…The excited states properties and the thermodynamical parameters of electron injection were studied. …”
Get full text

Experimental Investigation of a Multicylinder Unmodified Diesel Engine Performance, Emission, and Heat Loss Characteristics Using Different Biodiesel Blends: Rollout of B10 in Mala... by M. J. Abedin, H. H. Masjuki, M. A. Kalam, M. Varman, M. I. Arbab, I. M. Rizwanul Fattah, B. M. Masum

“…Energy balance analysis allows the designer to appraise the internal energy variations of a thermodynamic system as a function of ‘‘energy flows’’ across the control volume as work or heat and also the enthalpies associated with the energy flows which are passing through these boundaries. …”
Get full text

Numerical Analysis Method considering Coupled Effects of THMC Multifields on Unsaturated Expansive Soil Subgrade Treated with Lime by Jie Liu, Pan Chen, Zheng Lu, Hailin Yao

“…The response model subjected to coupled effect of thermo-hydro-mechano-chemical (THMC) was built in the context of basic theories in the polyporous polyphasic medium mechanics, the mixture theory in the continuum mechanics, and the thermodynamic theories. The finite element discretization of the response model was implemented based on the Galerkin method. …”
Get full text

Characterization of Conjugated Polymer Poly(fluorene-co-thiophene) and Its Application as Photosensitizer of TiO2 by Rongliang Qiu, Lin Song, Dongdong Zhang, Yueqi Mo, Eric Brewer, Xiongfei Huang

“…Consequently, it was deemed that transfer of electrons from the excited PFTs to the conduction band of TiO2 was thermodynamically possible. PFTs with higher thiophene content had more electron transitions in the excited state, resulting in increased photocatalytic activity of PFT-sensitized TiO2. …”
Get full text