Journal ArticleDOI
1,2,4-Triazole as a reference material for combustion calorimetry of N-containing compounds
TLDR
A micro-bomb combustion calorimeter recently designed for samples of mass ǫ ≥ 80 mg has been improved and tested with m -methoxybenzoic acid in order to verify the chemistry of the combustion process and the accuracy of the energy corrections involved in the analysis of results as mentioned in this paper.About:
This article is published in The Journal of Chemical Thermodynamics.The article was published on 2001-08-01. It has received 22 citations till now. The article focuses on the topics: Heat of combustion & Calorimetry.read more
Citations
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Journal ArticleDOI
Structure-Energy Relationship in Barbituric Acid: A Calorimetric, Computational, and Crystallographic Study
María Victoria Roux,Manuel Temprado,Rafael Notario,Concepción Foces-Foces,Vladimir N. Emel’yanenko,Sergey P. Verevkin +5 more
TL;DR: The behavior of the sample as a function of the temperature was studied by differential scanning calorimetry, and a new polymorph of barbituric acid at high temperature was found, and G3-calculated enthalpies of formation are in very good agreement with the experimental value.
Journal ArticleDOI
Calibration and test of an aneroid mini-bomb combustion calorimeter
TL;DR: In this paper, a mini-bomb combustion calorimeter designed at the University of Lund was improved, installed and calibrated at the Porto University of Porto for high precision combustion detection with samples of mass about (10 to 40)mg.
Journal ArticleDOI
Benzoic acid derivatives: Evaluation of thermochemical properties with complementary experimental and computational methods
Sergey P. Verevkin,Sergey P. Verevkin,Dzmitry H. Zaitsau,Vladimir N. Emeĺyanenko,E. N. Stepurko,Kseniya V. Zherikova +5 more
TL;DR: In this paper, the sublimation enthalpies of the methyl and methoxybenzoic acids were derived from the transpiration method, static method, and TGA.
Journal ArticleDOI
Experimental and computational thermochemical study and solid-phase structure of 5,5-dimethylbarbituric acid.
María Victoria Roux,Rafael Notario,Concepción Foces-Foces,Manuel Temprado,Francisco Ros,Vladimir N. Emel’yanenko,Sergey P. Verevkin +6 more
TL;DR: An experimental and computational thermochemical study on 5,5-dimethylbarbituric acid and the solid-phase structure of the compound and Calculated enthalpies of formation are in reasonable agreement with the experimental value.
Journal ArticleDOI
Thermochemical properties of two benzimidazole derivatives: 2-Phenyl- and 2-benzylbenzimidazole
Manuel A.V. Ribeiro da Silva,Maria D.M.C. Ribeiro da Silva,Luísa M.P.F. Amaral,José Elguero,Pilar Jiménez,María Victoria Roux,Juan Z. Dávalos,Manuel Temprado,Pilar Cabildo,Rosa M. Claramunt,Otilia Mó,Manuel Yáñez +11 more
TL;DR: The standard molar enthalpy of formation for gaseous 2-phenylbenzimidazole (2-PhBIM) and 2-BzBIM, at T = 298.15 K, measured by static bomb calorimetry and T = 322.10 K, respectively, were derived from the variation of the vapour pressures, determined by the Knudsen effusion technique.
References
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Data Reduction and Error Analysis for the Physical Sciences
TL;DR: In this paper, Monte Carlo techniques are used to fit dependent and independent variables least squares fit to a polynomial least-squares fit to an arbitrary function fitting composite peaks direct application of the maximum likelihood.
Journal ArticleDOI
Data Reduction and Error Analysis for the Physical Sciences.
TL;DR: Numerical methods matrices graphs and tables histograms and graphs computer routines in Pascal and Monte Carlo techniques dependent and independent variables least-squares fit to a polynomial least-square fit to an arbitrary function fitting composite peaks direct application of the maximum likelihood.
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Reference materials for calorimetry and differential thermal analysis
TL;DR: The reference materials for calorimetry and differential thermal analysis as discussed by the authors are applicable to a wide range of scientific and technological research fields involving physical, chemical, and biological processes, and they can be found in the ICTAC working group "thermochemistry" during 1997-1998.
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Purity determination by differential scanning calorimetry
TL;DR: A review of the literature on the DSC method for purity determination is presented, with a discussion of the most important aspects, i.e., theory, sample handling, calibration of the instrument, evaluation of melting curves, and the conditions and accuracy of the measurement of eutectic impurities as mentioned in this paper.