Results 21 to 30 of about 164,402 (291)

Comprehensive Thermodynamic Study of Alkyl-Cyclohexanes as Liquid Organic Hydrogen Carriers Motifs

Hydrogen, 2023
Alkyl-cyclohexanes can be considered as suitable model compounds to understand the thermochemistry of aromatic compounds and their hydrogenated counterparts discussed as Liquid Organic Hydrogen Carrier systems.
Sergey P. Verevkin, Artemiy A. Samarov, Sergey V. Vostrikov, Peter Wasserscheid, Karsten Müller   +4 more
doaj   +1 more source

A Data Resource for Prediction of Gas-Phase Thermodynamic Properties of Small Molecules

Data, 2022
The thermodynamic properties of a substance are key to predicting its behavior in physical and chemical systems. Specifically, the enthalpy of formation and entropy of a substance can be used to predict whether reactions involving that substance will ...
William Bains, Janusz Jurand Petkowski, Zhuchang Zhan, Sara Seager   +3 more
doaj   +1 more source

First principles calculations of vacancy–vacancy interactions in nickel: thermal expansion effects [PDF]

, 2010
The energetic properties of the divacancy defect in fcc nickel are studied by ab initio calculations based on density functional theory. The formation and binding enthalpies of the divacancy in the first (1nn), second (2nn) and third (3nn) nearest ...
Amarouche, Mohand, Megchiche, El Hocine, Mijoule, Claude   +2 more
core   +1 more source

Modelling diffusion in crystals under high internal stress gradients [PDF]

, 2004
Diffusion of vacancies and impurities in metals is important in many processes occurring in structural materials. This diffusion often takes place in the presence of spatially rapidly varying stresses.
Curtin, W. A., Olmsted, David L., Phillips, Rob   +2 more
core   +1 more source

Complexation forces in aqueous solution. Calorimetric studies of the association of 2-hydroxypropyl-b-cyclodextrin with monocarboxylic acids or cycloalkanols. [PDF]

, 2007
The formation of complexes between 2-hydroxypropyl-b-cyclodextrin and monocarboxylic acids or cycloalkanols has been studied calorimetrically at 298 K in phosphate buffer, pH 11.3. The forces involved in the assocn.
CASTRONUOVO, GIUSEPPINA, L. Varriale, NICCOLI, MARCELLA   +2 more
core   +1 more source

Viscoelasticity and metastability limit in supercooled liquids [PDF]

, 2005
A supercooled liquid is said to have a kinetic spinodal if a temperature Tsp exists below which the liquid relaxation time exceeds the crystal nucleation time.
A. Roitburd, Alessandro Attanasi, Andrea Cavagna, D. Turnbull, J. Ferry, J. W. P. Schmelzer, José Lorenzana, P. Voorhees, V. Skripov   +8 more
core   +1 more source

Oxygen vacancies in strained SrTiO$_{3}$ thin films: formation enthalpy and manipulation [PDF]

, 2017
We report the enthalpy of oxygen vacancy formation in thin films of electron-doped SrTiO$_{3}$, under different degrees of epitaxial stress. We demonstrate that both compressive and tensile strain decrease this energy at a very similar rate, and promote ...
Iglesias, L., Magen, C., Rivadulla, F., Sarantopoulos, A.   +3 more
core   +6 more sources

Enthalpy of formation of ye’elimite and ternesite [PDF]

, 2017
Calcium sulfoaluminate clinkers containing ye’elimite (Ca4Al6O12(SO4)) and ternesite (Ca5(SiO4)2SO4) are being widely investigated as components of calcium sulfoaluminate cement clinkers.
A Cuesta, A Kirfel, AG Torre De La, D Jansen, D Jansen, D Jansen, D Többens, DA Kulik, E Gartner, E Irran, F Bullerjahn, F Bullerjahn, F Glasser, F Goetz-Neunhoeffer, F Jones, FP Glasser, Fredrik Glasser, G Choi, G Álvarez-Pinazo, H Pollmann, H Rietveld, H Saalfeld, I Galan, I Galan, I Galan, Isabel Galan, J Beretka, J Beretka, J D’Ans, J Sharp, JP Cline, L Wadsö, L Zhang, LG Baquerizo, LG Baquerizo, MA Aranda, N Sherman, NJ Calos, O Chaix-Pluchery, P Blanc, Solon Skalamprinos, T Hanein, T Hanein, T Matschei, T Tadzhiev, T Wagner, Theodore Hanein, W Cole, W Dienemann, W Hoerkner, W Lan, W Mumme, W Wenlong, YK Wen   +53 more
core   +3 more sources

Effect of base–acid properties of the mixtures of water with methanol on the solution enthalpy of selected cyclic ethers in this mixture at 298.15 K [PDF]

, 2015
The enthalpies of solution of cyclic ethers: 1,4- dioxane, 12-crown-4 and 18-crown-6 in the mixture of water and methanol have been measured within the whole mole fraction range at T = 298.15 K.
A Wakisaka, AA Maryott, Agnieszka Warczakowska, AR Katritzky, B Pałecz, CD Schmulbach, EP Egan Jr, G Castronuovo, G Heter, GW Gokel, H Ohtaki, H Piekarski, H Tanaka, H Tsukube, HCh Chen, I Wadsö, JE Desnoyers, LE Briggner, M Jóźwiak, M Jóźwiak, M Jóźwiak, M Jóźwiak, M Jóźwiak, M Jóźwiak, M Jóźwiak, M Jóźwiak, M Jóźwiak, M Jóźwiak, M Jóźwiak, M Jóźwiak, M Obrzud, M Szpakowska, Małgorzata Jóźwiak, MH Abraham, N Nunes, PK Wrona, R Sabbah, RM Izatt, RM Izatt, RM Izatt, RM Lynden-Bell, RM Moriarty, S France, SC Chan, TM Krygowski, TM Krygowski, TR Usacheva, VP Barannikov, VP Barannikov, WR Fawcett, WR Fawcett, X Linghu, Y Li, Y Marcus, Y Marcus, Y Marcus, YK Liu   +56 more
core   +2 more sources

ESTIMATION OF STANDARD ENTHALPY OF FORMATION OF ALKANES IN GASEOUS STATE BY CALCULATING SIZE, STRUCTURAL AND ELECTRONIC PARAMETERS IN THE MOLECULES

Eclética Química, 2018
A quantitative analysis is made on the correlation ship of thermodynamic property, i.e., standard enthalpy of formation (ΔH f0) with Kier’s molecular connectivity index(1Xv),vander waal’s volume (Vw) electrotopological state index (E) and ...
P. S. Verma, B. L. Gorsi, G. S. and Lovel Kalwania   +2 more
doaj   +1 more source