Relevant bibliographies by topics / Thermochemistry

Academic literature on the topic 'Thermochemistry'

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Published: 4 June 2021
Last updated: 29 July 2024

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Journal articles on the topic "Thermochemistry"

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Rustembekov, Kenzhebek, Lazareva, Stoev, Fomin, and Kaykenov. "Thermochemistry of new holmium-calciumtellurite." Bulletin of the Karaganda University. "Chemistry" series 87, no. 3 (September 29, 2017): 108–13. http://dx.doi.org/10.31489/2017ch3/108-113.

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Wood, J. V. "Materials Thermochemistry." Surface Engineering 9, no. 4 (January 1993): 277–78. http://dx.doi.org/10.1179/sur.1993.9.4.277.

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Simmie, John M., Wayne K. Metcalfe, and Henry J. Curran. "Ketene Thermochemistry." ChemPhysChem 9, no. 5 (March 10, 2008): 700–702. http://dx.doi.org/10.1002/cphc.200800003.

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Alex Scott. "Replacing thermochemistry." C&EN Global Enterprise 101, no. 11 (April 3, 2023): 16–17. http://dx.doi.org/10.1021/cen-10111-feature1.

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Purwandari, Intan Diah, Muntholib Muntholib, and Anugrah Ricky Wijaya. "Improving Student's Critical Thinking Ability Using Argument-Drivent Inquiry Approach in Thermochemistry." JCER (Journal of Chemistry Education Research) 7, no. 2 (December 18, 2023): 243–51. http://dx.doi.org/10.26740/jcer.v7n2.p243-251.

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This study aimed to investigate the impact of the Argument-Driven Inquiry instruction (ADI-Based Instruction) in thermochemistry on students' critical thinking skills. This study applied the one group pretest-posttest type of pre-experiment design. The subjects of this study were 71 eleven grade students of Public Senior High School of Ambulu Jember on academic year of 2022/2023. The instrument, namely the critical thinking ability test on thermochemistry, was developed by the researchers based on Ennis' critical thinking ability framework. This test consists of 10 valid items with a Cronbach's Alpha reliability of 0.782. The results showed that thermochemistry instruction carried out using ADI instructional model improve students' critical thinking skills with an N-gain of 0.731 (high category) and Cohen's d-effect size of 1.023 (large effect category) with an intermediate reliability of 0.619 (good categories). These results indicate that ADI-based instruction on thermochemistry can improve students' critical thinking skills. The implication of this study is that ADI-based instruction can be applied to other subjects who have the same characteristics of thermochemistry, namely having contextual, factual, conceptual, procedural, and metacognitive knowledge.
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Agustina, Rizza R. T., Afadil Afadil, Sitti Rahmawati, and Vanny M. A. Tiwow. "Learning Difficulties and Students' Ability Level During Pandemic Covid-19 on The Subject of Thermochemistry." Jurnal Akademika Kimia 12, no. 1 (February 28, 2023): 26–31. http://dx.doi.org/10.22487/j24775185.2023.v12.i1.pp26-31.

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This study aims to identify learning difficulties learning experienced by students on the subject thermochemistry in class XI IPA SMA Negeri 8 Palu during the Covid-19 pandemic for the 2021 / 2022 school year. The instruments used in this study are thermochemistry tests, questionnaires, and interviews. The result showed students’ difficulties in the subject thermochemistry in class XI IPA was 60 %, the highest difficulty of students is found in the thermochemistry test of calculating the heat of the type of compound, calculating enthalpy changes, and formulating steps and hypotheses of an experiment. The difficulty is indicated by the low level of student comprehension of 54 %, medium 43 %, and high 3 % with an average of 30%. Furthermore, the difficulty of students in participating in chemistry learning during the Covid-19 pandemic is technical difficulties with a percentage of 65.92 %, difficulties in implementing learning with a percentage 0f 65.44 %, and external difficulties (environment and parents) with a percentage of 52.92 %. based on these results, the learning difficulties experienced by students during chemistry learning thermochemistry subjects during the Covid-19 pandemic include students often being constrained by signals and quotas to access materials on the internet and do not have student handbooks to study at home, difficulty understanding chemistry concepts because teacher explanations are elusive, students are not active in participating in learning because chemistry learning during the pandemic is not interesting, can’t afford chemistry books and quotas also parents don’t provide motivation and students are often lazy to do assignments because no one helps with doing. The result of this study indicates that the level of students' difficulties learning about thermochemistry is a quite high category with a low level of student ability and students agree that it is difficult to study chemistry during the pandemic Covid-19.
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Borzone, G., R. Raggio, and R. Ferro. "Comments on intermetallic thermochemistry." Journal of Mining and Metallurgy, Section B: Metallurgy 38, no. 3-4 (2002): 249–72. http://dx.doi.org/10.2298/jmmb0204249b.

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The need of a concerted multi-disciplinary approach in the investigation of intermetallic systems and the role of thermochemistry are underlined. The activity carried out in the Author?s laboratory in the alloy thermodynamics is summarized. The different instruments (calorimeters) built in laboratory are briefly presented and their performance discussed. The results obtained in the measurement of the enthalpy of formation mainly of several rare earth alloys are described. The characteristics of the Eu and Yb thermochemistry and crystallochemistry are finally underlined.
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Navrotsky, A. "Thermochemistry of Nanomaterials." Reviews in Mineralogy and Geochemistry 44, no. 1 (January 1, 2001): 73–103. http://dx.doi.org/10.2138/rmg.2001.44.03.

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Jones, M. N. "3 Biochemical thermochemistry." Annual Reports Section "C" (Physical Chemistry) 96, no. 1 (2000): 55–94. http://dx.doi.org/10.1039/b000719f.

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Jones, M. N., and G. Pilcher. "Chapter 4. Thermochemistry." Annual Reports Section "C" (Physical Chemistry) 84 (1987): 65. http://dx.doi.org/10.1039/pc9878400065.

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Dissertations / Theses on the topic "Thermochemistry"

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Yu, C. W. "Solution thermochemistry for rapid analysis." Thesis, University of Salford, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.381712.

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JUNIOR, AMERICO BARBOSA DA CUNHA. "REDUCTION OF COMPLEXITY IN COMBUSTION THERMOCHEMISTRY." PONTIFÍCIA UNIVERSIDADE CATÓLICA DO RIO DE JANEIRO, 2010. http://www.maxwell.vrac.puc-rio.br/Busca_etds.php?strSecao=resultado&nrSeq=17685@1.

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CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO
O desenvolvimento de modelos computacionais para simulação de escoamentos reativos operando em regime de turbulencia requer a soluçao das equações diferenciais parciais que representam os balanços de massa, quantidade de movimento linear, espécies químicas e energia. Além disso, as reações químicas do modelo necessitam de um mecanismo cinético detalhado para descrição dos fenomenos físico-químicos associados. Um dos maiores desafios encontrados é a rigidez da simulação numérica desses modelos e a natureza não linear do termo de produção das espécies químicas. Esta dissertação apresenta uma revisão das principais técnicas disponíveis na literatura para o desenvolvimento de modelos reduzidos de cinética química, em particular para a combustão, bem como de técnicas para solução eficiente dos modelos de escoamentos reativos. Após uma apresentação da formulação matemática associada, a metodologia denominada tabulação adaptativa in situ (ISAT) é implementada e avaliada quanto a sua acurácia, eficiencia e uso de memória na simulação de alguns modelos de reator homogeneo agitado. Avalia-se a combustão de misturas de monóxido de carbono/oxigenio e metano/ar cujos mecanismos cinéticos tem 4 e 53 espécies, 3 and 325 reações respectivamente. Os resultados destassimulações indicam que a presente implementação da técnica ISAT tem erro relativo global inferior a 1%. Além disso, a técnica ISAT propiciou ganhos, em termos de tempo computacional, de at´e 80% quando comparado a simulação direta da cinética detalhada. Entretanto, em termos de utilização da memória, a implementação desenvolvida da técnica ISAT se mostrou excessivamente exigente.
The development of computational models for the numerical simulation of chemically reacting flows operating in the turbulent regime requires the solution of partial differential equations that represent the balance of mass, linear momentum, chemical species and energy. Moreover, the chemical reactions of the model may require a detailed reaction mechanism for the description of the physicochemical phenomena involved. One of the biggest challenges is the stiffness of the numerical simulation of these models and the nonlinear nature of species rate of reaction. This dissertation presents an overview of the main techniques available in the literature for the development of reduced models of chemical kinetics, particularly for the combustion, as well as the techniques for efficient computation of the chemically reacting flows models. After a presentation of the associated mathematical formulation, the methodology dubbed in situ adaptive tabulation (ISAT) is implemented and its accuracy, efficiency and memory usage are evaluated in the simulation of homogeneous stirred reactor models. The combustion of carbon monoxide with oxygen and methane with air mixtures is considered, which detailed reaction mechanisms involve 4 and 53 species, 3 and 325 reactions respectively. The results of these simulations indicate that the development implementation of the ISAT technique has a absolute global error of less than 1%. Moreover, the ISAT technique provided gains, in terms of computational time, of up to 80% when compared to the direct integration of the full chemical kinetics. However, in terms of memory usage the present implementation of ISAT technique was found to be excessively demanding.
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Misra, Ashutosh. "Kinetics and Thermochemistry of Halogenated Species." Thesis, University of North Texas, 1997. https://digital.library.unt.edu/ark:/67531/metadc278143/.

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Seakins, Paul W. "Thermochemistry and reaction kinetics of alkyl radicals." Thesis, University of Oxford, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.276856.

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Tullo, Erica Jane. "Thermochemistry of Amino Acids and Constrained Diamines." W&M ScholarWorks, 2012. https://scholarworks.wm.edu/etd/1539623596.

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The gas-phase proton affinities of several highly basic amino acids and diamines were determined using the extended kinetic method in an ESI-quadrupole ion trap instrument. The non-protein amino acid L-canavanine is structurally related to L-arginine with an oxygen substituted for the terminal methylene group of L-arginine and is highly toxic to humans. The proton affinity of L-arginine, a protein amino acid, was determined to be 1036 kJ mol -1, whereas the proton affinity of L-canavanine was determined to be 1005 kJ mol-1. Thus, substitution of an oxyguanidino group for the guanidine group in L-arginine results in a large decrease in basicity. This decrease in basicity mirrors the solution behavior of these two amino acids in which the oxygen atom substitution causes a 5 pKa unit drop in basicity of L-canavanine relative to L-arginine. In addition, the proton affinities of the NPAAs L-canaline and L-citrulline were determined to be 952 kJ mol-1 and 990 kJ mol-1, respectively. The proton affinity values presented here for the NPAAs L-canavanine, L-canaline, and L-citrulline represent the first measurements for these compounds. Experiments were complemented by high-level hybrid density functional theory calculations. Theory values obtained for proton affinities were consistent with the theoretical findings except for L-arginine, which was higher than the experimentally determined value. This may be due to the small number of reference bases in the high basicity range used to determine the experimental value.;The proton affinities of the highly basic diamines cis-1,5-diaminocyclooctane, tetramethylcadaverine, and hexamethylcadaverine were determined to be 1002 kJ mol-1, 1013 kJ mol-1, and 1031 kJ mol-1, respectively. These values are consistent with the theory that diamines display increased basicity due to the stabilization that intramolecular hydrogen bonding provides.
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Shin, Seung Koo Beauchamp Jesse L. "Experimental and theoretical studies of silylenes, silicenium ions, and organometallic reactive intermediates." Diss., Pasadena, Calif. : California Institute of Technology, 1989. http://resolver.caltech.edu/CaltechTHESIS:11122009-115104264.

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Thesis (Ph. D.)--California Institute of Technology, 1989. UM #90-00,599.
Advisor names found in the Acknowledgements pages of the thesis. Title from home page. Viewed 01/14/2010. Includes bibliographical references.
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Majdi, Hassan Shakir. "Investigation of the thermochemistry of some energetic compounds." Thesis, Royal Holloway, University of London, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.408003.

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Allott, Philip Hugh. "The thermochemistry of bromination of phenols and anilines." Thesis, Royal Holloway, University of London, 1986. http://repository.royalholloway.ac.uk/items/45ee4bfb-9be1-4500-9d03-2b883899c5cb/1/.

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A method has been developed for bromination of aromatic compounds in aqueous solution in an isoperibol calorimeter. The enthalpies of bromination of phenol to 2,4,6-tribromophenol and of aniline, 2-bromo-aniline, 4-bromoaniline and 2,4-dibromoaniline to 2,4,6-tribromo-aniline were measured using this method. These values were used to derive the standard enthalpies of formation of 2,4,6-tribromophenol, 2-bromoaniline, 4-bromoaniline, 2,4-dibromoaniline and 2,4,6-tribromo-aniline. The enthalpies of combustion of 2,4,6-tribromophenol and 2,4,6-tribromoaniline were measured using a rotating-bomb calorimeter. These values were used to derive the standard enthalpies of formation of 2,4,6-tribromophenol and 2,4,6-tribromoaniline. The discrepancy between these latter standard enthalpies of formation and those found using the solution calorimetric method is discussed, and possible sources of systematic error indicated. The solution calorimetric method was adapted for the thermometric titration of phenols in aqueous solution with an aqueous solution of bromine. The sequential nature of bromination of five compounds -phenol, 2-bromophenol, 2-methylphenol, 3-methylphenol and 2-hydroxy-benzoic acid - was investigated using this technique. The reasons for this sequentiality are discussed. abstract continued overleaf A complete data-processing system has been designed for the solution calorimeter. A microcomputer is used for data acquisition from the AC bridge of the calorimeter through an analogue-to-digital interface. The bridge voltage readings, once uploaded to a minicomputer, are processed to yield the corrected temperature change. Enthalpies of reaction can then be calculated and statistical analyses performed. The problems encountered in developing the system are discussed, especially with regard to the calculation of the corrected temperature change from the noisy temperature data. A least-squares cubic spline is used for curve-fitting and calculation of the first derivative of temperature versus time.
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Jorgensen, Kameron R. "Thermochemistry Investigations Via the Correlation Consistent Composite Approach." Thesis, University of North Texas, 2012. https://digital.library.unt.edu/ark:/67531/metadc177216/.

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Since the development of the correlation consistent composite approach (ccCA) in 2006, ccCA has been shown to be applicable across the periodic table, producing, on average, energetic properties (e.g., ionization potentials, electron affinities, enthalpies of formation, bond dissociation energies) within 1 kcal/mol for main group compounds. This dissertation utilizes ccCA in the investigation of several chemical systems including nitrogen-containing compounds, sulfur-containing compounds, and carbon dioxide complexes. The prediction and calculation of energetic properties (e.g., enthalpies of formation and interaction energies) of the chemical systems investigated within this dissertation has led to suggestions of novel insensitive highly energetic nitrogen-containing compounds, defined reaction mechanisms for sulfur compounds allowing for increased accuracy compared to experimental enthalpies of formation, and a quantitative structure activity relationship for altering the affinity of CO2 with substituted amine compounds. Additionally, a study is presented on the convergence of correlation energy and optimal domain criteria for local Møller–Plesset theory (LMP2).
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Haworth, Naomi Louise. "Quantum Chemical Studies of Thermochemistry, Kinetics and Molecular Structure." Thesis, The University of Sydney, 2003. http://hdl.handle.net/2123/509.

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This thesis is concerned with a range of chemical problems which are amenable to theoretical investigation via the application of current methods of computational quantum chemistry. These problems include the calculation of accurate thermochemical data, the prediction of reaction kinetics, the study of molecular potential energy surfaces, and the investigation of molecular structures and binding. The heats of formation (from both atomisation energies and isodesmic schemes) of a set of approximately 120 C1 and C2 fluorocarbons and oxidised fluorocarbons (along with C3F6 and CF3CHFCF2) were calculated with the Gaussian-3 (G3) method (along with several approximations thereto). These molecules are of importance in the flame chemistry of 2-H-heptafluoropropane, which has been proposed as a potential fire retardant with which to replace chloro- and bromofluorocarbons (CFC�s and BFC�s). The calculation of the data reported here was carried out in parallel with the modelling studies of Hynes et al.1-3 of shock tube experiments on CF3CHFCF3 and on C3F6 with either hydrogen or oxygen atoms. G3 calculations were also employed in conjunction with the experimental work of Owens et al.4 to describe the pyrolysis of CFClBr2 (giving CFCl) at a radiation wavelength of 265 nm. The theoretical prediction of the dissociation energy of the two C-Br bonds was found to be consistent with the energy at which carbene production was first observed, thus supporting the hypothesis that the pyrolysis releases two bromine radicals (rather than a Br2 molecule). On the basis of this interpretation of the experiments, the heat of formation of CFClBr2 is predicted to be 184 � 5 kJ mol-1, in good agreement with the G3 value of 188 � 5 kJ mol-1. Accurate thermochemical data was computed for 18 small phosphorus containing molecules (P2, P4, PH, PH2, PH3, P2H2, P2H4, PO, PO2, PO3, P2O, P2O2, HPO, HPOH, H2POH, H3PO, HOPO and HOPO2), most of which are important in the reaction model introduced by Twarowski5 for the combustion of H2 and O2 in the presence of phosphine. Twarowski reported that the H + OH recombination reaction is catalysed by the combustion products of PH3 and proposed two catalytic cycles, involving PO2, HOPO and HOPO2, to explain this observation. Using our thermochemical data we computed the rate coefficients of the most important reactions in these cycles (using transition state and RRKM theories) and confirmed that at 2000K both cycles have comparable rates and are significantly faster than the uncatalysed H + OH recombination. The heats of formation used in this work on phosphorus compounds were calculated using the G2, G3, G3X and G3X2 methods along with the far more extensive CCSD(T)/CBS type scheme. The latter is based on the evaluation of coupled cluster energies using the correlation consistent triple-, quadruple- and pentuple-zeta basis sets and extrapolation to the complete basis set (CBS) limit along with core-valence correlation corrections (with counterpoise corrections for phosphorus atoms), scalar relativistic corrections and spin-orbit coupling effects. The CCSD(T)/CBS results are consistent with the available experimental data and therefore constitute a convenient set of benchmark values with which to compare the more approximate Gaussian-n results. The G2 and G3 methods were found to be of comparable accuracy, however both schemes consistently underestimated the benchmark atomisation energies. The performance of G3X is significantly better, having a mean absolute deviation (MAD) from the CBS results of 1.8 kcal mol-1, although the predicted atomisation energies are still consistently too low. G3X2 (including counterpoise corrections to the core-valence correlation energy for phosphorus) was found to give a slight improvement over G3X, resulting in a MAD of 1.5 kcal mol-1. Several molecules were also identified for which the approximations underlying the Gaussian-n methodologies appear to be unreliable; these include molecules with multiple or strained P-P bonds. The potential energy surface of the NNH + O system was investigated using density functional theory (B3LYP/6-31G(2df,p)) with the aim of determining the importance of this route in the production of NO in combustion reactions. In addition to the standard reaction channels, namely decomposition into NO + NH, N2 + OH and H + N2O via the ONNH intermediate, several new reaction pathways were also investigated. These include the direct abstraction of H by O and three product channels via the intermediate ONHN, giving N2 + OH, H + N2O and HNO + N. For each of the species corresponding to stationary points on the B3LYP surface, valence correlated CCSD(T) calculations were performed with the aug-cc-pVxZ (x = Q, 5) basis sets and the results extrapolated to the complete basis set limit. Core-valence correlation corrections, scalar relativistic corrections and spin orbit effects were also included in the resulting energetics and the subsequent calculation of thermochemical data. Heats of formation were also calculated using the G3X method. Variational transition state theory was used to determine the critical points for the barrierless reactions and the resulting B3LYP energetics were scaled to be compatible with the G3X and CCSD(T)/CBS values. As the results of modelling studies are critically dependent on the heat of formation of NNH, more extensive CCSD(T)/CBS calculations were performed for this molecule, predicting the heat of formation to be 60.6 � 0.5 kcal mol-1. Rate coefficients for the overall reaction processes were obtained by the application of multi-well RRKM theory. The thermochemical and kinetic results thus obtained were subsequently used in conjunction with the GRIMech 3.0 reaction data set in modelling studies of combustion systems, including methane / air and CO / H2 / air mixtures in completely stirred reactors. This study revealed that, contrary to common belief, the NNH + O channel is a relatively minor route for the production of NO. The structure of the inhibitor Nd-(N'-Sulfodiaminophosphinyl)-L-ornithine, PSOrn, and the nature of its binding to the OTCase enzyme was investigated using density functional (B3LYP) theory. The B3LYP/6-31G(d) calculations on the model compound, PSO, revealed that, while this molecule could be expected to exist in an amino form in the gas phase, on complexation in the active site of the enzyme it would be expected to lose two protons to form a dinegative imino tautomer. This species is shown to bind strongly to two H3CNHC(NH2)2+ moieties (model compounds for arginine residues), indicating that the strong binding observed between inhibitor and enzyme is partially due to electrostatic interactions as well as extensive hydrogen bonding (both model Arg+ residues form hydrogen bonds to two different sites on PSO). Population analysis and hydrogen bonding studies have revealed that the intramolecular bonding in this species consists of either single or semipolar bonds (that is, S and P are not hypervalent) and that terminal oxygens (which, being involved in semipolar bonds, carry negative charges) can be expected to form up to 4 hydrogen bonds with residues in the active site. In the course of this work several new G3 type methods were proposed, including G3MP4(SDQ) and G3[MP2(Full)], which are less expensive approximations to G3, and G3X2, which is an extension of G3X designed to incorporate additional electron correlation. As noted earlier, G3X2 shows a small improvement on G3X; G3MP4(SDQ) and G3[MP2(Full)], in turn, show good agreement with G3 results, with MAD�s of ~ 0.4 and ~ 0.5 kcal mol-1 respectively. 1. R. G. Hynes, J. C. Mackie and A. R. Masri, J. Phys. Chem. A, 1999, 103, 5967. 2. R. G. Hynes, J. C. Mackie and A. R. Masri, J. Phys. Chem. A, 1999, 103, 54. 3. R. G. Hynes, J. C. Mackie and A. R. Masri, Proc. Combust. Inst., 2000, 28, 1557. 4. N. L. Owens, Honours Thesis, School of Chemistry, University of Sydney, 2001. 5. A. Twarowski, Combustion and Flame, 1995, 102, 41.
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Books on the topic "Thermochemistry"

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Irikura, Karl K., and David J. Frurip, eds. Computational Thermochemistry. Washington, DC: American Chemical Society, 1998. http://dx.doi.org/10.1021/bk-1998-0677.

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B, Alcock C., Spencer P. J, and Kubaschewski O. 1912-, eds. Materials thermochemistry. 6th ed. Oxford: Pergamon Press, 1993.

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Brodowsky, H., and H. J. Schaller, eds. Thermochemistry of Alloys. Dordrecht: Springer Netherlands, 1989. http://dx.doi.org/10.1007/978-94-009-1027-0.

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A, Coonrod Janice, Claesgens Jennifer, and Lawrence Hall of Science, eds. Fire: Energy and thermochemistry. Emeryville, CA: Key Curriculum Press, 2005.

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Plascencia, Gabriel, and David Jaramillo. Basic Thermochemistry in Materials Processing. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-53815-0.

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Rossini, Frederick D. (Frederick Dominic), 1899-, ed. Thermochemistry of the chemical substances. [Norwich, N.Y.]: Knovel, 2003.

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Yu, Chuck Wah (Francis). Solution thermochemistry for rapid analysis. Salford: University of Salford, 1987.

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Ausloos, Pierre, and Sharon G. Lias, eds. Structure/Reactivity and Thermochemistry of Ions. Dordrecht: Springer Netherlands, 1987. http://dx.doi.org/10.1007/978-94-009-3787-1.

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G, Mirskiy Anton, ed. Thermochemistry and advances in chemistry research. Hauppauge, NY: Nova Science Publishers, 2009.

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L, Frenkelʹ M., Gadzhiev S. N, and Lebedev, I͡U︡. A. kandidat tekhnicheskikh nauk., eds. Thermochemistry and equilibria of organic compounds. New York, N.Y: VCH, 1993.

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Book chapters on the topic "Thermochemistry"

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de Oliveira, Mário J. "Thermochemistry." In Equilibrium Thermodynamics, 339–63. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-36549-2_19.

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de Oliveira, Mário J. "Thermochemistry." In Equilibrium Thermodynamics, 359–83. Berlin, Heidelberg: Springer Berlin Heidelberg, 2017. http://dx.doi.org/10.1007/978-3-662-53207-2_19.

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Vogt, Jochen. "Thermochemistry." In Exam Survival Guide: Physical Chemistry, 71–82. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-49810-2_4.

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Korchef, Atef. "Thermochemistry." In Understanding General Chemistry, 93–122. Boca Raton: CRC Press, 2022. http://dx.doi.org/10.1201/9781003257059-5.

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Drysdale, D. D. "Thermochemistry." In SFPE Handbook of Fire Protection Engineering, 138–50. New York, NY: Springer New York, 2016. http://dx.doi.org/10.1007/978-1-4939-2565-0_5.

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Duben, Anthony J. "Thermochemistry." In Case Studies in the Virtual Physical Chemistry Laboratory, 51–62. Cham: Springer International Publishing, 2024. http://dx.doi.org/10.1007/978-3-031-55018-8_3.

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Irikura, Karl K., and David J. Frurip. "Computational Thermochemistry." In ACS Symposium Series, 2–18. Washington, DC: American Chemical Society, 1998. http://dx.doi.org/10.1021/bk-1998-0677.ch001.

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Giovangigli, Vincent. "Mathematics of Thermochemistry." In Multicomponent Flow Modeling, 119–56. Boston, MA: Birkhäuser Boston, 1999. http://dx.doi.org/10.1007/978-1-4612-1580-6_6.

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Navrotsky, Alexandra. "Thermochemistry of Perovskites." In Perovskite: A Structure of Great Interest to Geophysics and Materials Science, 67–80. Washington, D. C.: American Geophysical Union, 2013. http://dx.doi.org/10.1029/gm045p0067.

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Flagan, Richard C. "Thermochemistry and Kinetics." In Carbide, Nitride and Boride Materials Synthesis and Processing, 275–306. Dordrecht: Springer Netherlands, 1997. http://dx.doi.org/10.1007/978-94-009-0071-4_11.

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Conference papers on the topic "Thermochemistry"

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BERGMAN, C. "THERMOCHEMISTRY AND QUASICRYSTALS." In Proceedings of the Spring School on Quasicrystals. WORLD SCIENTIFIC, 2000. http://dx.doi.org/10.1142/9789812793201_0007.

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Navrotsky, Alexandra. "Thermochemistry of complex perovskites." In Fundamental physics of ferroelectrics 2000. AIP, 2000. http://dx.doi.org/10.1063/1.1324466.

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Guo, Xiaofeng, Goncharov Vitaliy, Kyle Kriegsman, Joshua White, and Hongwu Xu. "Thermochemistry of UC and UN." In Goldschmidt2020. Geochemical Society, 2020. http://dx.doi.org/10.46427/gold2020.907.

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Welch, Bradley, and Richard Dawes. "APPROXIMATIONS FOR HIGH-ACCURACY THEORETICAL THERMOCHEMISTRY." In 73rd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2018. http://dx.doi.org/10.15278/isms.2018.rj09.

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Milos, F., Y. K. Chen, F. Milos, and Y. K. Chen. "Comprehensive model for multicomponent ablation thermochemistry." In 35th Aerospace Sciences Meeting and Exhibit. Reston, Virigina: American Institute of Aeronautics and Astronautics, 1997. http://dx.doi.org/10.2514/6.1997-141.

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de Mûelenaere, Julien, T. Magin, Jean Lachaud, and Nagi Mansour. "Stagnation line approximation for ablation thermochemistry." In 42nd AIAA Thermophysics Conference. Reston, Virigina: American Institute of Aeronautics and Astronautics, 2011. http://dx.doi.org/10.2514/6.2011-3616.

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Rakhi, Rakhi, Binod R. Giri, Vivien Günther, and Fabian Mauss. "Insight into the thermodynamic model for reforming of methane over nickel catalyst." In 64th International Conference of Scandinavian Simulation Society, SIMS 2023 Västerås, Sweden, September 25-28, 2023. Linköping University Electronic Press, 2023. http://dx.doi.org/10.3384/ecp200025.

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Abstract:
The reforming of light hydrocarbons to produce synthesis gas, H2 and CO, is an important intermediate for manufacturing valuable basic chemicals and synthesis fuels. In order to understand these reforming processes better, elementary step reaction mechanisms are developed. In the available literature, the surface reaction mechanisms are usually achieved with the help of reaction kinetic parameters without using the thermochemistry of the species referred to kinetic models due to the unavailability of the thermochemistry of the intermediate species involved in the multi-step reaction mechanism. In this work, investigations are made to obtain the thermochemistry of the intermediate species to establish thermodynamic equilibrium in order to develop thermodynamic model for steam reforming of methane over nickel. The thermochemistry of the surface bound species is taken from different sources available in the literature and after that a detailed sensitivity analysis is performed to match the results with experiments. The simulation set up is adapted from the literature experiments given in [1]. The results produced with the one-dimensional tool using the thermodynamic model developed in the present investigation consisting of 21 reversible reactions are compared with the kinetic scheme with 42 irreversible reactions from reference simulation along with their experimental results. Both the models show some major differences in the reaction pathways which provides a useful insight into the key rate determining steps and needs further investigations.
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Welch, Bradley, and Richard Dawes. "A PROTOCOL FOR HIGH-ACCURACY THEORETICAL THERMOCHEMISTRY." In 72nd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2017. http://dx.doi.org/10.15278/isms.2017.wi08.

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Cruden, Brett A., Aaron M. Brandis, and Megan E. MacDonald. "Characterization of CO Thermochemistry in Incident Shockwaves." In 2018 Joint Thermophysics and Heat Transfer Conference. Reston, Virginia: American Institute of Aeronautics and Astronautics, 2018. http://dx.doi.org/10.2514/6.2018-3768.

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Alimov, Dgamshid T., Vladimir Y. Goldman, and Alexander V. Khaydarov. "Photoprocesses in laser thermochemistry of heterogenous reactions." In 1st Intl School on Laser Surface Microprocessing, edited by Ian W. Boyd, Vitali I. Konov, and Boris S. Luk'yanchuk. SPIE, 1990. http://dx.doi.org/10.1117/12.23714.

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Reports on the topic "Thermochemistry"

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Engel, John P. Gas phase thermochemistry of organogermanium compounds. Office of Scientific and Technical Information (OSTI), December 1993. http://dx.doi.org/10.2172/10112831.

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Feller, David F., David A. Dixon, Thom H. Dunning, Michel Dupuis, Doug McClemore, Kirk A. Peterson, Sotiris S. Xantheas, et al. Computational Thermochemistry and Benchmarking of Reliable Methods. Office of Scientific and Technical Information (OSTI), June 2006. http://dx.doi.org/10.2172/884826.

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Ervin, Kent M. Hydrocarbon radical thermochemistry: Gas-phase ion chemistry techniques. Office of Scientific and Technical Information (OSTI), March 2014. http://dx.doi.org/10.2172/1124116.

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Simunovic, Srdjan, and Theodore M. Besmann. Coupling of thermochemistry solver THERMOCHIMICA with MOOSE/BISON. Office of Scientific and Technical Information (OSTI), June 2015. http://dx.doi.org/10.2172/1214026.

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Armentrout, P. Thermochemistry of transition metal clusters. Technical progress report. Office of Scientific and Technical Information (OSTI), January 1993. http://dx.doi.org/10.2172/6395690.

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Armentrout, P. Thermochemistry of transition metal clusters. Technical progress report. Office of Scientific and Technical Information (OSTI), January 1992. http://dx.doi.org/10.2172/7281505.

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Classen, Nathan Robert. Synthesis and Gas Phase Thermochemistry of Germanium-Containing Compounds. Office of Scientific and Technical Information (OSTI), January 2002. http://dx.doi.org/10.2172/806584.

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Morse, Michael D., and Peter B. Armentrout. Spectroscopy, Thermochemistry, and Reactivity of Lanthanide and Actinide Molecules. Office of Scientific and Technical Information (OSTI), August 2012. http://dx.doi.org/10.2172/1048544.

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Armentrout, Peter. THERMOCHEMISTRY AND REACTIVITY OF TRANSITION METAL CLUSTERS AND THEIR OXIDES. Office of Scientific and Technical Information (OSTI), June 2014. http://dx.doi.org/10.2172/1135682.

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Allendorf, Mark D. BAC-G2 Predictions of Thermochemistry for Gas-Phase Aluminum Compounds. Office of Scientific and Technical Information (OSTI), October 2001. http://dx.doi.org/10.2172/791321.

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