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Journal articles on the topic "Chemical Thermodynamics and Energetics"
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Hofman, Tadeusz. "Preface." Pure and Applied Chemistry 81, no. 10 (January 1, 2009): iv. http://dx.doi.org/10.1351/pac20098110iv.
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The 20th International Conference on Chemical Thermodynamics (ICCT 2008) was held in Warsaw, Poland, 3-8 August 2008. It was organized jointly by the Institute of Physical Chemistry of the Polish Academy of Science, both Faculties of Chemistry of the Warsaw University of Technology and the Warsaw University, the Polish Chemical Society, and under the auspices of the International Association of Chemical Thermodynamics (IACT). This conference was significant in a line of traditional meetings gathering biennially chemical thermodynamists from all over the world. Almost 300 participants from 39 countries presented 153 oral presentations and 174 posters, among the former ones 12 plenary and 27 invited lectures were given by distinguished researchers.The culminating event was the Rossini lecture given by Prof. Jürgen Gmehling from the University of Oldenburg in Germany, entitled "Present status and potential of group contribution methods for process development". Prof. Gmehling was awarded the prestigious Frederick D. Rossini Award, which has been given biennially to contemporary chemical thermodynamics for an outstanding contribution.Five 2008 IACT Junior Awards were awarded to young scientists for notable achievements presented during the conference in the form of an oral communication.The conference program was grouped into the following symposia:- Molecular simulations of fluid and statistical thermodynamics- Phase equilibria, supercritical fluids, and separation techniques- Electrolyte solutions and non-electrolyte mixtures including reactive chemical systems- Thermodynamics and properties in the biological, medical, pharmaceutical, agricultural, and food sectors- Nanosystems, nanodevices, and advanced materials- Thermochemistry, calorimetry, and molecular energetics- Ionic liquids- Surface and colloid chemistry- Industrial thermodynamics and databases- Thermodynamics frontiers and education- Modulated and oscillation temperature techniques- Environmental thermodynamicsThis issue of Pure and Applied Chemistry presents 16 papers selected from the plenary and invited lectures delivered at ICCT 2008 with an emphasis on industrial thermodynamics and thermochemistry. We hope that this selection will provide insight into the scientific program of the conference.The 21st International Conference on Chemical Thermodynamics will be held in Tsukuba, Japan, 1-6 August 2010.Tadeusz HofmanConference Editor
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Haris, P., Varughese Mary, M. Haridas, and C. Sudarsanakumar. "Energetics, Thermodynamics, and Molecular Recognition of Piperine with DNA." Journal of Chemical Information and Modeling 55, no. 12 (November 13, 2015): 2644–56. http://dx.doi.org/10.1021/acs.jcim.5b00514.
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Akaogi, Masaki, and Makoto Aratono. "Preface." Pure and Applied Chemistry 83, no. 6 (January 1, 2011): iv. http://dx.doi.org/10.1351/pac20118306iv.
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The 21st International Conference on Chemical Thermodynamics (ICCT-2010) was held in Tsukuba, Japan, on 1–6 August 2010, by the International Association of Chemical Thermodynamics (IACT) under the sponsorship of IUPAC. The organizing committee was chaired by Prof. T. Atake. The conference attracted more than 600 scientists from 37 different countries. During the conference period, the Rossini lecture and 9 plenary lectures were delivered. Forty invited papers and approximately 200 contributed papers were presented in 7 parallel sessions, together with about 300 poster presentations. The wide variety of fields in chemical thermodynamics is illustrated by the titles of a number of the symposia: “Fluids and fluid mixtures”, “Phase equilibria”, “Foods and pharmaceuticals”, “Biothermodynamics”, “Colloids and interfaces”, “Thermochemistry and molecular energetics”, “Environmental issues”, “Industrial applications, databases and software”, “Theory and simulation”, “Organic materials and polymers”, “Inorganic materials and metals”, “New techniques”, “Education in chemical thermodynamics”, and a special session in honor of Profs. S. Seki and H. Suga. As part of the scientific program, two workshops were also held, the titles of which are: “Energy in subsections on petroleum, coal and alternative sources”, and “Calorimetry with commercial relaxation instruments”.This issue of Pure and Applied Chemistry collects four selected plenary lectures delivered at the conference. The topics include challenges in teaching thermodynamics, new equations-of-state model of fluids and their mixtures, Gibbs energy minimization method in multiphase equilibria, and critical evaluation of thermophysical properties database in chemical process simulation. In these papers, we hope that the readers find the essence of the various aspects of current exciting research in chemical thermodynamics, which were exhibited in a lively manner during this successful conference. Other general papers presented in the symposia and workshops will be published in J. Chem. Thermodynamics, Thermochimica Acta, and Molecular Simulation.The 22nd ICCT is scheduled to be held August 2012 in Búzios, Brazil.Masaki AkaogiMakoto AratonoConference Editors
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Akinlade, O., and A. O. Boyo. "Thermodynamics and surface properties of Fe–V and Fe–Ti liquid alloys." International Journal of Materials Research 95, no. 5 (May 1, 2004): 387–95. http://dx.doi.org/10.1515/ijmr-2004-0081.
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Abstract A simple statistical mechanical model, based on a quasi-lattice approximation in which one assumes the formation of complexes, has been used to study bulk properties, such as free energy of mixing, the thermodynamic activity and enthalpy of mixing, in liquid Fe –Vand Fe –Ti alloys. The energetics and its effect on the alloying behavior of the liquid alloys has been investigated with the aim of correlating bulk phenomena with surface effects. The analysis shows that, assuming the formation of intermetallic complexes of the form Fe2V and FeTi in the liquid alloys, one can explain the energetics of the bulk alloys. Our results for the bulk calculations indicate that Fe –V and Fe –Ti both exhibit a significant tendency for compound formation. From a perusal of the diffusion coefficient D, we observe the same trend towards compound formation, as demonstrated by the chemical short-range order parameter (CSRO) close to the assumed stoichiometric composition. Furthermore, using the model calculations in the bulk, we study some surface properties. Our calculations indicate that Fe segregates to the surface at all bulk compositions in Fe –Vand Fe –Ti liquid, though the segregation effect is more pronounced in the former alloy. The reason for this is that Fe –Ti is a more ordered system than Fe –V and, thus, the driving force for surface segregation in these alloys is their energetics.
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Dymond, John H. "Preface." Pure and Applied Chemistry 79, no. 8 (January 1, 2007): iv. http://dx.doi.org/10.1351/pac20077908iv.
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The 19th International Conference on Chemical Thermodynamics (ICCT-19) took place as part of THERMO International 2006, together with the 16th Symposium on Thermophysical Properties and the 61st Calorimetry Conference, from 30 July to 4 August 2006 at the University of Colorado, Boulder, CO, USA. Dr. W. M. Haynes was President of the Executive Board of THERMO International 2006, and Drs. M. Frenkel, R. D. Chirico, and J. W. Magee were the organizers of ICCT. Overall, 768 speakers submitted the abstracts of their presentations, including about 30 students and 11 exhibitors, from 62 countries (235 from North America, 341 from Europe, 76 from Japan, and 33 from China). About 65 % of the participants were from academia and 15 % from industry, with 20 % from governmental and international organizations.These individual conferences have an overlap of areas of interest, but this was the first time that they have been held jointly at the same site. This provided a unique opportunity for researchers and practitioners worldwide to meet and discuss a broad range of scientific problems in the fields of thermodynamics and thermophysical properties for a wide variety of systems, with applications in chemistry and other scientific and engineering disciplines.After the official opening ceremony, there was an invited keynote presentation by Prof. W. A. Wakeham from the University of Southampton, Southampton, UK, entitled "Thermophysical property measurements: The journey from accuracy to fitness for purpose". The Rossini Award lecture was given by Prof. A. Navrotsky on "Calorimetry of nanoparticles, surfaces, interfaces, thin films, and multilayers".The ICCT program consisted of nine symposia, some of which were held jointly with the other conferences. The plenary lecturers and invited speakers in these symposia, and the titles of the plenary lectures, were as follows:Electrolyte and Non-Electrolyte Solution Thermodynamics: J. M. Prausnitz (plenary), "Some promising frontiers in the thermodynamics of protein solutions"; C. G. Panayiotou, P. R. Tremaine, and T. Kimura (invited)Ionic Liquids: K. Seddon (plenary); "The mark of an educated mind"; L. P. N. Rebelo and C. J. Peters (invited)Molecular Modelling, Including Simulation: D. Evans (plenary), "The fluctuation and non-equilibrium free energy theorems: Theory and experiment"; H. Tanaka, J. Errington, and A. Klamt (invited)Thermochemistry and Molecular Energetics: J. A. de Sousa Martinho Simões (plenary), "Energetics of free radicals: Bridges between gas-phase and solution data"; W. E. Acree, Jr. and J. S. Chickos (invited)Thermodynamics and Properties in the Biological, Medical, Pharmaceutical, Agricultural, and Food Sectors: P. L. Privalov (plenary), "Thermodynamic problems in structural molecular biology"; J. M. Sanchez-Ruiz and H. H. Klump (invited)Databases, Data Systems, Software Applications, and Correlations: M. Satyro (plenary), "Life, data and everything"; R. L. Rowley and R. Sass (invited)Phase Equilibrium, Supercritical Fluids, and Separation Technologies: S. Sandler (plenary), "Computational quantum mechanics: An under-utilized tool for applied thermodynamics"; L. F. Vega and R. P. Danner (invited)Colloid and Interface Science: L. Piculell (plenary), "Controlling structure in associating polymer-surfactant mixtures"; H. K. Yan and K. Lohner (invited)New Materials: V. K. Pecharsky (plenary), "Structure, mechanism, and thermodynamics of novel rare-earth-based inter-metallic materials"; C. Staudt-Bickel and J. Pons (invited)The plenary lectures, with the exception of the lecture by Prof. K. Seddon, are published in this issue.There were workshops on New Experimental Techniques, with Profs. C. Schick and J. P. M. Trusler as invited speakers, on Properties and Processes for a Hydrogen-Based Economy, where Prof. C. J. Peters was the invited speaker, and on Thermodynamic Frontiers and Education, with Profs. R. N. Lichtenthaler and R. Battino as invited speakers.In addition, there was a workshop on the Thermodynamic Properties of Hydration (with Prof. V. Majer as invited speaker), software demonstrations, and two afternoon poster sessions, with over 400 posters. The sessions were held in the well-appointed Stadium Club, against the beautiful backdrop of the Flatirons to the west and the plains stretching across to the east. IUPAC had donated three poster prizes, a framed certificate signed by IUPAC President Brian Henry, a copy of the IUPAC "Gold Book" and a two-year subscription to Chemistry International. These were awarded to Martinez-Herrera Melchor (Mexico), Lisa Ott (USA), and Isabel Marrucho (Spain).Doctorate awards were presented by the International Association of Chemical Thermodynamics (IACT), with sponsorship from Elsevier. The four recipients were M. Fulem (Prague, Czech Republic), Y. U. Paulechka (Minsk, Belarus), E. Asabina (Nizhni Novgorod, Russian Federation), and J. Xu (Trondheim, Norway). They each received a certificate, plus a cash prize of $500, and presented their papers at the conference.All the lectures demonstrated how chemical thermodynamics is making, and will continue to make, very significant contributions to the rapidly developing interdisciplinary fields such as the life sciences, new materials, medicine and pharmacy, new energy resources, the environment, separation technologies, agriculture, green chemistry, and so on. These are all extremely important issues for scientists worldwide, and particularly for those who are in developing or economically disadvantaged countries. The opportunity for face-to-face discussion and communication with scientists from developed countries was a great benefit, which will lead to further research and improved education.The weather was most pleasant for the conference. This, together with the attractive setting of the campus, the welcoming reception, the conference banquet at the National Center for Atmospheric Research, and the high standard of the presentations, made this a memorable conference. In addition, there was a full program of tours for accompanying persons, which included a visit to the mile-high city (Denver). Our thanks are extended to the Conference Chair and Co-chairs, and to all members of the local Organizing Committee, the members of the International Advisory Committee, and the members of the International Scientific Committee. We are most grateful to IUPAC, the International Association of Chemical Thermodynamics, the National Institute of Standards and Technology, the American Society of Mechanical Engineers, and the American Institute of Chemical Engineers, Elsevier, Honeywell, and Mettler Toledo for sponsoring THERMO International 2006.Thermodynamics will continue to be an important area of research for many years to come, with a wide range of applications from chemical engineering to the biosciences. We look forward to the presentation and discussion of the results of further advances in chemical thermodynamics at the next ICCT, which will take place in Warsaw, Poland in August 2008.John H. DymondConference Editor
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Dymond, John H. "Preface." Pure and Applied Chemistry 77, no. 8 (January 1, 2005): iv. http://dx.doi.org/10.1351/pac20057708iv.
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The 18th IUPAC International Conference on Chemical Thermodynamics (ICCT-2004), concurrent with the 12th National Conference on Chemical Thermodynamics and Thermal Analysis, was held 17-21 August 2004 at the Fragrant Hill Hotel, Beijing, China. Professor Haike Yan was Conference Chair, Prof. Zhiwu Yu was Conference Co-chair, and Prof. Xibai Qiu was Secretary. The 395 participants came from 40 countries.During the official opening ceremony, there was a presentation of the first Doctorate Awards to be given by the International Association of Chemical Thermodynamics, with sponsorship from Elsevier. The three recipients were Dr. Lin Chen, Tsinghua University, Beijing; Mr. Dirk Wandschneider, University of Rostock, Germany; and Mr. Weiguo Xu, Liaoning University, China. They each received a certificate plus a cash prize of USD 500.The conference began with the Rossini lecture, presented by Prof. Jean-Pierre E. Grolier on "Advanced experimental techniques in polymer thermodynamics". The conference program consisted of eight symposia and three workshops. In Symposium 1, Electrolyte and Nonelectrolyte Solution Thermodynamics, Prof. Emmerich Wilhelm gave the plenary lecture "The fascinating world of pure and mixed nonelectrolytes". There were invited lectures by Profs. Eckhard Vogel, Fumio Hirata, and Takayoshi Kimura. In Symposium 2, New Materials, Prof. C. Richard Catlow presented the plenary lecture "Computational approaches to the catalytic activation of carbon-hydrogen bonds", and invited lectures were given by Profs. Mary Anne White and Vladimir Durov. The plenary lecture in Symposium 3, Phase Equilibrium, Supercritical Fluids, and Separation Technologies, was given by Prof. Pablo Debenedetti on "Thermodynamics of supercooled and glassy water", with invited lectures from Profs. Cornelis Peters and Ding-Yu Peng. Symposium 4, Biological, Medical, Pharmaceutical, Agricultural, and Food Thermodynamics, had as its plenary lecturer Prof. Stephan Grzesiek, who spoke on "Biomolecular interactions in solutions". Professors Lee Hansen and Ichiro Hatta were the invited lecturers.Symposium 5 was on Colloid and Interface Science. Professor Bernard Cabane presented the plenary lecture "Solid-liquid separation", and there were invited lectures from Dr. Gerd Olofsson and Profs. Watson Loh and Xueqin An. The title of Symposium 6 was Non-equilibrium Thermodynamics, Statistical Thermodynamics, and Molecular Simulation. The plenary lecture "Non-equilibrium pattern formation" was presented by Prof. Qi Ouyang, with an invited lecture by Prof. Zhen-Gang Wang. Symposium 7 considered Thermochemistry and Molecular Energetics, with Prof. Michio Sorai, the plenary lecturer, speaking on "Entropy diagnosis for phase transitions occurring in functional materials". Professor Juliana Boerio-Goates gave the invited lecture. Symposium 8 was on Industrial Thermodynamics and Data Bases. Dr. Michael Fenkel gave the plenary lecture on "Global communications and expert systems in thermodynamics: Connecting property measurement and chemical process design". Invited lectures were given by Profs. Pertti Koukkari and Zhoulan Yin.There were three workshops. Prof. Kazuya Saito was invited lecturer for the Workshop on Thermodynamic Frontiers and Education. Professors Joan Brennecke and Andreas Heintz were invited lecturers for the Ionic Liquids Workshop. Professors Joon Won Park and Junko Morikawa gave invited lectures at the Workshop on New Experimental Techniques, including Nanotechnology.In addition, there were over 180 oral presentations, spread over the symposia and workshops, and about 280 poster presentations.The Rossini lecture and plenary lectures, with the exception of the paper by Prof. P. Debenetti where the field was recently reviewed [1,2], are published in this issue, together with the invited paper by Prof. Lee Hansen entitled "A thermodynamic law of adaptation of plants to environmental temperatures". Selected papers from individual symposia will be published in the Journal of Molecular Liquids (Symposium 1), Fluid Phase Equilibria (Symposia 3 and 6), the Journal of Chemical Thermodynamics (Symposia 1, 2, and 7), Thermochimica Acta (Symposium 4), or in the Journal of Chemical and Engineering Data (Workshop on Ionic Liquids).After the previous weeks when it had been very hot and humid, the temperature dropped and the weather was most pleasant for the conference. This change in weather, together with the attractive setting of the hotel, the excellent hospitality, which included a welcome reception, an evening of acrobatics entertainment, a conference banquet in the Summer Palace, and the high standard of the presentations, made this conference memorable. In addition, there was a full program of tours for accompanying persons. Our thanks are extended to the Conference Chair and Co-chair, and to all members of the local Organizing Committee, the International Advisory Committee, and the International Scientific Committee. We are most grateful to IUPAC, the International Association of Chemical Thermodynamics, the China Association for Science and Technology, the National Natural Science Foundation of China, and the Chinese Academy of Sciences for sponsoring the conference.Thermodynamics will continue to be an important area of research for many years to come, with a wide range of applications from chemical engineering to the biosciences. We look forward to the presentation and discussion of the results of further advances in chemical thermodynamics at the next ICCT, which will take place in Boulder, Colorado in 2006.1. P. G. Debenedetti. J. Phys.: Condens. Mater. 45, R1669-1726 (2003).2. P. G. Debenedetti and H. E. Stanley. Phys. Today 56, 40-46 (2003).J. H. DymondConference Editor
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Sun, Hui, and Di Wu. "Recent advances in experimental thermodynamics of metal–organic frameworks." Powder Diffraction 34, no. 4 (September 20, 2019): 297–301. http://dx.doi.org/10.1017/s0885715619000782.
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This mini review summarizes recent advances in experimental thermodynamics of metal–organic frameworks (MOFs). Taking advantage of the development in mechanochemistry, near-room temperature solution calorimetry, and low-temperature heat capacity measurements, the energetic landscape, entropy trends, and Gibbs free energy evolutions of MOFs with true polymorphism [Zn(MeIm)2, Zn(EtIm)2, and Zn(CF3Im)2] as framework topology varies were thoroughly explored by integrated calorimetric and computational methodologies. In addition, the formation enthalpies of MOFs with ultrahigh porosity (MOF-177 and UMCM-1) and the simplest structure (metal formates) have been determined. The studies summarized below highlight the complex interplays among interrelated compositional, chemical, and topological (structural) factors in the determination of the thermodynamic parameters of MOFs.
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Ávila, M., M. F. Juárez, and E. Santos. "Energetics of chloride adlayers on Au(100) electrodes: Grand-canonical Monte Carlo simulations and ab-intio thermodynamics." Electrochimica Acta 364 (December 2020): 137289. http://dx.doi.org/10.1016/j.electacta.2020.137289.
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Trujillo, Dennis, Ayana Ghosh, Serge M. Nakhmanson, Sanjubala Sahoo, and S. Pamir Alpay. "Surface structure and energetics of low index facets of bismuth ferrite." Physical Chemistry Chemical Physics 22, no. 28 (2020): 16400–16406. http://dx.doi.org/10.1039/d0cp01575j.
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Bierbaum, Veronica M. "Anions in Space and in the Laboratory." Proceedings of the International Astronomical Union 7, S280 (June 2011): 383–89. http://dx.doi.org/10.1017/s1743921311025130.
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AbstractThe astronomical detection of molecular anions has prompted our study of their chemical reactions with atomic species that are abundant in the interstellar medium. We have recently explored the chemistry of a variety of Cx Ny− anions with hydrogen atoms and determined their reaction rate constants and products using the flowing afterglow-selected ion flow tube technique. Computational studies allow characterization of the structures of reactants and products, as well as the energetics along the reaction pathway. For anions containing one or two nitrogen atoms, reactions with hydrogen atoms are facile, and proceed primarily by associative detachment. In contrast, anions containing three nitrogen atoms are unreactive with hydrogen atoms due to reaction barriers and unfavorable thermodynamics.
Dissertations / Theses on the topic "Chemical Thermodynamics and Energetics"
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Yadav, Santosh. "The Energetics of Water Interactions with Adult and Neonatal Skin." University of Cincinnati / OhioLINK, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1259080683.
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Sresht, Vishnu. "Molecular-thermodynamic and simulation-assisted modeling of interfacial energetics." Thesis, Massachusetts Institute of Technology, 2016. http://hdl.handle.net/1721.1/107875.
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Thesis: Ph. D., Massachusetts Institute of Technology, Department of Chemical Engineering, 2016.Cataloged from PDF version of thesis.
Includes bibliographical references (pages 189-203).
The heterogeneous molecular interactions that operate at material interfaces control the efficiency of chemical engineering processes as diverse as adsorption, emulsification, heat exchange, and froth flotation. In particular, the process of colloidal self-assembly harnesses the rich tapestry of interactions that operate at several length scales, including van der Waals and electrostatic interactions, the hydrophobic effect, and entropic considerations, to drive the autonomous aggregation of simple building blocks into intricate architectures. This bottom-up approach has increasingly become the mainstay of the colloids community in its quest to design and fabricate increasingly complex soft-matter assemblies for pharmaceutical, catalytic, optical, or environmental applications. Accurately modeling and manipulating interfacial interactions across many different length scales is vital to optimizing the self-assembly and stability of colloidal suspensions. With the above background in mind, in this thesis, I illustrate the modeling of interfacial phenomena at a range of length scales, with a particular focus on utilizing a combination of computer simulations and molecular-thermodynamic theories to evaluate the free energies associated with the formation and reconfiguration of revolutionary colloidal systems, including dynamically-responsive colloids and two-dimensional nanomaterial suspensions. First, I examine the interplay between interfacial tensions during the one-step fabrication, and stimuli-responsive dynamic reconfiguration, of three-phase and four-phase complex emulsions. This fabrication makes use of the temperature-sensitive miscibility of hydrocarbon, silicone, and fluorocarbon liquids and is applied to both microfluidic and scalable batch production of complex droplets. I demonstrate that droplet geometries can be alternated between encapsulated and Janus configurations by judicious variations in interfacial tensions, as controlled via conventional hydrocarbon and fluorinated surfactants, as well as by stimuli-responsive and cleavable surfactants. Subsequently, I examine the molecular origins of the ability of surfactants to modulate the interfacial tensions at fluid-fluid interfaces, including developing a computer simulation-aided molecular- thermodynamic framework to predict the adsorption isotherms of non-ionic surfactants at the air-water interface. The use of computer simulations to evaluate free-energy changes is implemented to model a surfactant molecule possessing tumor-selective cytotoxicity. Utilizing potential of mean force calculations, I shed light on the preference of this anti-cancer drug for certain types of lipid bilayers, including advancing a hypothesis for the mechanism through which this drug induces apoptosis. I then utilize potential of mean force calculations to evaluate the formation of colloidal suspensions of two novel two-dimensional materials: phosphorene and molybdenum disulfide (MoS2). I focus on the correlations between the structural features of commonly-used solvents and: (1) their ability to intercalate between nanomaterial sheets and induce exfoliation, and (2) their effect on the energy barrier hindering the aggregation of the phosphorene and MoS2 sheets. The combination of simulation-based computation of the potential of mean force (PMF) between pairs of nanomaterial sheets, as well as the application of theories of colloid aggregation, offers a detailed picture of the mechanics underlying the liquid-phase exfoliation and the subsequent colloidal stability of phosphorene and MOS2 sheets in the commonly-used solvents considered. The agreement between the predicted and the experimentally-observed solvent efficacies provides a molecular context to rationalize the currently prevailing solubility-parameter-based theories, and for deriving design principles to identify effective nanomaterial exfoliation media.
by Vishnu Sresht.
Ph. D.
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Narayanan, Vindhya. "Non-equilibrium Thermomechanics of Multifunctional Energetic Structural Materials." Diss., Georgia Institute of Technology, 2005. http://hdl.handle.net/1853/7570.
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Shock waves create a unique environment of high pressure, high temperature and high strain-rates. It has been observed that chemical reactions that occur in this regime are exothermic and can lead to the synthesis of new materials that are not possible under other conditions. The exothermic reaction is used in the development of binary energetic materials. These materials are of significant interest to the energetic materials community because of its capability of releasing high heat content during a chemical reaction and the relative insensitivity of these types of energetic materials. Synthesis of these energetic materials, at nano grain sizes with structural reinforcements, provides an opportunity to develop a dual functional material with both strength and energetic characteristics.
Shock-induced chemical reactions pose challenges in experiment and instrumentation. This thesis is addressed to the theoretical development of constitutive models of shock-induced chemical reactions in energetic composites, formulated in the framework of non-equilibrium thermodynamics and mixture theories, in a continuum scale. Transition state-based chemical reaction models are introduced and incorporated with the conservation equations that can be used to calculate and simulate the shock-induced reaction process. The energy that should be supplied to reach the transition state has been theoretically modeled by considering both the pore collapse mechanism and the plastic flow with increasing yield stress behind the shock wave. A non-equilibrium thermodynamics framework and the associated evolution equations are introduced to account for time delays that are observed in the experiments of shock-induced or assisted chemical reactions. An appropriate representation of the particle size effects is introduced by modifying the initial energy state of the reactants. Numerical results are presented for shock-induced reactions of mixtures of Al, Fe2O3 and Ni, Al with epoxy as the binder.
The theoretical model, in the continuum scale, requires parameters that should be experimentally determined. The experimental characterization has many challenges in measurement and development of nano instrumentation. An alternate approach to determine these parameters is through ab-initio calculations. Thus, this thesis has initiated ab-initio molecular dynamics studies of shock-induced chemical reactions. Specifically, the case of thermal initiation of chemical reactions in aluminum and nickel is considered.
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Rossi, Luciano Fernando dos Santos. "Otimização energetica de redes de trocadores de calor industriais : aplicações em engenharias de petroleo, alimentos e quimica." [s.n.], 1995. http://repositorio.unicamp.br/jspui/handle/REPOSIP/265690.
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Orientador: Antonio Carlos BannwartTese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Mecanica
Made available in DSpace on 2018-07-20T08:34:29Z (GMT). No. of bitstreams: 1 Rossi_LucianoFernandodosSantos_D.pdf: 31189486 bytes, checksum: b5668903a52a4adff00b0520804c237d (MD5) Previous issue date: 1995
Resumo: Este estudo teve como objetivo a análise de processos industriais, os mais abrangentes possíveis, visando sua otimização do ponto de vista energético-econômico. Neste intento, buscou-se apresentar não apenas um único ponto de otimalidade, mas um conjunto de opções que permita a um decisor escolher a situação mais conveniente. No desenvolvimento deste estudo foram utilizados um conjunto de Métodos de Otimização, dentre os quais podem ser destacados a Metodologia Pinch de Recuperação de Energia, baseada em uma redistribuição de potenciais térmicos dentro do processo analisado, e os Métodos originários da Programação Matemática, em especial a Programação Linear. Analisou-se em profundidade o caso, relativo à lndúsrtria de refino de Petróleo, de uma etapa de Craqueamento Catalítico da Refinaria de Paulínia, da PETROBRÁS. Entretanto, o conjunto de procedimentos aplicados neste trabalho mostrou-se eficiente quando da análise de outros segmentos industriais, em particular das lndústrias Química, de Alimentos e Petroquímica, como apresentado no decorrer deste trabalho. Este estudo mostra que é perfeitamente possível fazer-se uma análise energética e uma avaliação econômica de sua implantação, de uma maneira muito satisfatória e rápida
Abstract: This work deals with the industrial process analysis, includingvarious types and sizes, looking for their optimization fiom the economic and energetic point of view. Not only a single point of optimality was searched but a set of options which could permit to a decision maker to choose the best situation in each case. ln the development of this study were utilized a set of Optimization Methods, among which it can be mentioned the "Pinch Point Methodology" to heat recovery in networks, which is based in a redistribution of the thermal potentials of the process analyzed, and the methods originated tfom the Mathematics Programming, in special the Linear Programming. A deep analysiswas made on the case relative to an oil refinery.More precisely a part ofthe catalytic cracking of the Paulinia's Oil Refinery of PETROBRAS. The set of procedures applied in this work, it can be shown efficient when the analysis is applied to other industrial branches, in particular in the Chemistry, Food and Petrochemistry industries, as shown in throughout this work. This study shows that is possible to make an energetic analysis and an economic cost evaluation on the implementationof a process, in a fast and sactisfatory manner
Doutorado
Termica e Fluidos
Doutor em Engenharia Mecânica
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Moran, E. B. "Selective separations at ion exchangers : thermodynamics and energetics." Thesis, Swansea University, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.638228.
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The equilibrium uptake of four amino acids (glycine, isoleucine, threonine, tryptophan) of differing physico-chemical properties on two ion exchangers of differing surface chemistries was studied with the aim of assessing the importance of inter-molecular and surface interactions in the ion exchange process. Analysis of data showed that, under the conditions investigated, the ion exchange of amino acids at hydrogen form cation exchangers occurred via the uptake of amino acid zwitterions and subsequent protonation of amino acid molecules within the exchangers. Equilibrium isotherm analysis allowed the determination of the thermodynamic equilibrium constants for each combination of amino acid and ion exchanger. The affinity of the synthetic organic resin (Dowex 50W) for the hydrophobic amion acid (tryptophan) was highest and lowest for the hydrophilic amino acid (threonine). The cellulosic ion exchanger (SE 53) displayed lower selectivity for all the amino acids compared to the Dowex 50W resin. This behaviour is explained by considering the chemical properties of the amino acids and ion exchangers. The heats of exchange of the amino acids at these ion exchangers were obtained by titration microcalorimetry using a Thermometric 2277 Thermal Activity Monitor. An analysis procedure was developed to determine the standard thermodynamic functions (ΔGo, ΔHo, ΔSo) for each ion exchange process. Knowledge of these thermodynamic quantities provided further insight into the interactions that can occur, in addition to the electrostatic interaction, during the ion exchange process. The thermodynamic data indicated the most effective means of manipulating process solution conditions in order to increase the selectivity of an ion exchanger for a particular amino acid and also to maximise the degree of separation between amino acids from a binary mixture. The techniques and data analysis procedures described are likely to be of use in the development of bioseparation processes.
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Binnie, S. J. "Ab initio surface energetics : beyond chemical accuracy." Thesis, University College London (University of London), 2011. http://discovery.ucl.ac.uk/1318067/.
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Density functional theory (DFT) is the work–horse of modern materials modeling techniques, but scattered evidence indicates it often fails for important surface properties. This thesis investigates how DFT estimates of the surface energy (σ) and molecular adsorption energies of ionic systems are affected by the choice of exchange–correlation (xc) functional. Accurate diffusion Monte–Carlo (DMC) and quantum chemistry (QC) calculations are presented for these quantities showing marked improvement over DFT and agreement of much better than chemical accuracy. DFT estimates of σ are presented for the (001) surfaces of LiH, LiF, NaF and MgO. Five xc functionals, LDA, PBE, RPBE, Wu–Cohen and PW91 are used. A clear xc functional bias is demonstrated with σLDA > σWC > σPBE > σPW91 > σRPBE. To improve the picture detailed pseudopotential DMC calculations are presented for LiH and LiF. The lattice parameters and cohesive energies agree with experiment to better than 0.2 % and 30 meV respectively. For LiH novel all–electron DMC calculations are also presented showing significant improvement over pseudopotential DMC. Accurate all–electron Hartree–Fock calculations of σ for LiH(001) and LiF(001) are presented along with calculations of the LiF bulk using specially adapted Gaussian basis–sets. Combined with existing QC correlation estimates the bulk and surface properties of LiH and LiF show excellent agreement to both experiment and DMC and allow a longstanding disagreement between two experimental estimates for σLiF to be resolved. Finally the adsorption energy curve for water on LiH(001) is obtained by both DMC and incremental QC techniques leading to agreement of better than 10 meV. DFT and dispersion corrected DFT estimates are also presented highlighting the large xc functional dependence. Thus we demonstrate that is possible and necessary to obtain agreement between higher levels of theory and produce benchmark values beyond DFT.
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Haghtalab, Ali. "Thermodynamics of aqueous electrolyte solutions." Thesis, McGill University, 1990. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=74540.
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The focus of this work is the thermodynamics of aqueous solutions of strong electrolytes for both binary and multicomponent systems.A new excess Gibbs energy function to represent the deviations from ideality of binary electrolyte solutions was derived. The function consists of two contributions, one due to long-range forces, represented by the Debye-Huckel theory, and the other due to short-range forces represented by the local composition concept. The model is valid for the whole range of electrolyte concentrations, from dilute solutions up to saturation. The model consistently produces better results particularly at the higher concentration regions in which the other models deteriorate.
An electrochemical cell apparatus using Ion-Selective Electrodes (ISE) was constructed to measure the electromotive force (emf) of ions in the aqueous electrolyte mixtures. For the NaCl-NaNO$ sb3$-H$ sb2$O system, the data for the mean ionic activity coefficient of NaCl was obtained in order to show the reproducibility of literature data and to test the validity of the experimental procedure. The data for mean ionic activity coefficient of the following systems were also collected: (1) NaBr-NaNO$ sb3$-H$ sb2$O (a system with common ion); (2) NaBr-Ca(NO$ sb3$)$ sb2$-H$ sb2$O (a system with no-common-ion).
A novel mixing rule was proposed for the mean activity coefficients of electrolytes in mixtures in terms of the mean ionic activity coefficients of electrolytes in the binary solutions. The rule is applicable to multicomponent systems which obey Harned's Rule. Predictions are in excellent agreement with experimental data for ternary systems which follow the Bronsted specific ionic theory.
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Avlonitis, Dimitrios Anastassios. "Thermodynamics of gas hydrate equilibria." Thesis, Heriot-Watt University, 1992. http://hdl.handle.net/10399/803.
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Reservoir fluids are usually saturated with water at reservoir conditions and may form gas hydrates in transfer lines, which potentially may plug the system. For long subsea pipelines, methanol injection is the practical means for preventing hydrate formation and for decomposing blockages. For efficient and economical pipeline design and operation, phase boundaries, phase fractions and distribution of water and methanol among the equilibrium phases of the system must be accurately known. The system comprising reservoir fluids, water and methanol demonstrates a complex multiphase behaviour and currently no quantitatively adequate description for it has been detailed in the open literature. The problem is addressed in this thesis by a consistent application of classical equilibrium thermodynamics. At ordinary operating conditions any combination of as many as six phases can be potentially present. For the description of the vapour and all liquid phases, we use one cubic equation of state with nonconventional mixing rules developed as part of this work. Classical thermodynamics together with the cell theory of van der Waals and Platteeuw were employed for the development of a general model for the calculation of heat capacities of gas hydrates. A consistent methodology has also been developed for obtaining the potential parameters of the cell model. Thereafter, application of the model demonstrates that for nearly spherical guest molecules the classical cell theory is a strictly valid description of gas hydrates. However, complex guest molecules distort the hydrate lattice, resulting in variation of the numerical values of certain parameters of the model. This work presents an efficient algorithm for the solution of the problem of the identity of the equilibrium phases in multiphase systems where gas hydrates are potentially present. The algorithm is based on the alternative use of two equivalent forms of the Gibbs tangent plane criterion and it is believed to be more appropriate for systems involving gas hydrate equilibria than previous methods. Application of the proposed algorithm in several regions of the phase diagram of both binary and multicomponent systems shows that it can be used reliably to solve any phase equilibria problem, including the location of phase boundaries. In summary this work presents a consistent, efficient and reliable scheme for multiphase equilibrium calculations of systems containing reservoir fluids, water and methanol. Favourable results have been obtained by comparison with diverse experimental data reported in the open literature and it is believed that the proposed correlation can be used reliably for pipeline design and operation.
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Al-Motasem, Al-Asqalani Ahmed Tamer. "Nanoclusters in Diluted Fe-Based Alloys Containing Vacancies, Copper and Nickel: Structure, Energetics and Thermodynamics." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2012. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-89355.
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The formation of nano–sized precipitates is considered to be the origin of hardening and embrittlement of ferritic steel used as structural material for pressure vessels of nuclear reactors, since these nanoclusters hinder the motion of dislocations within the grains
of the polycrystalline bcc–Fe matrix. Previous investigations showed that these small precipitates are coherent and may consist of Cu, Ni, other foreign atoms, and vacancies. In this work a combination of on–lattice simulated annealing based on Metropolis Monte Carlo simulations and off–lattice relaxation by Molecular Dynamics is applied in
order to determine the structure, energetics and thermodynamics of coherent clusters in bcc–Fe. The most recent interatomic potentials for Fe–Cu–Ni alloys are used. The atomic structure and the formation energy of the most stable configurations as well as their total and monomer binding energy are calculated.
Atomistic simulation results show that pure (vacancy and copper) as well as mixed (vacancy-copper, copper-nickel and vacancy-copper-nickel) clusters show facets which correspond to the main crystallographic planes. Besides facets, mixed clusters exhibit a core-shell structure. In the case of v_lCu_m, a core of vacancy cluster coated with copper atoms is found. In binary Cum_Ni_n, Ni atoms cover the outer surface of copper cluster.
Ternary v_lCu_mNi_n clusters show a core–shell structure with vacancies in the core coated by a shell of Cu atoms, followed by a shell of Ni atoms. It has been shown qualitatively that these core–shell structures are formed in order to minimize the interface energy
between the cluster and the bcc-Fe matrix. Pure nickel consist of an agglomeration of Ni atoms at second nearest neighbor distance, whereas vacancy-nickel are formed by a vacancy cluster surrounded by a nickel agglomeration. Both types of clusters are called quasi-cluster because of their non-compact structure. The atomic configurations of quasiclusters can be understood by the peculiarities of the binding between Ni atoms and vacancies. In all clusters investigated Ni atoms may be nearest neighbors of Cu atoms but never nearest neighbors of vacancies or other Ni atoms. The structure of the clusters found in the present work is consistent with experimental observations and with results of pairwise calculations. In agreement with experimental observations and with recent results of atomic kinetic Monte Carlo simulation it is shown that the presence of Ni atoms promotes the nucleation of clusters containing vacancies and Cu.
For pure vacancy and pure copper clusters an atomistic nucleation model is established, and for typical irradiation conditions the nucleation free energy and the critical size for cluster formation have been estimated. For further application in rate theory and object kinetic Monte Carlo simulations compact and physically–based fit formulae are
derived from the atomistic data for the total and the monomer binding energy. The fit is based on the structure of the clusters (core-shell and quasi-cluster) and on the classical capillary model.
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Rickards, Andrew M. J. "Hygroscopic organic aerosol : thermodynamics, kinetics, and chemical synthesis." Thesis, University of Bristol, 2015. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.686238.
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Aerosols play a crucial role in many areas of scientific relevance including in new technologies to deliver medicine to the lungs, and in fuel injection and spray drying. Aerosols have a profound impact on the atmosphere, influencing radiative forcing both by scattering solar radiation and by influencing cloud properties. Organic aerosols are a major component, making up 20 - 90 % of the submicron mass by region, and are emitted from many natural and anthropogenic sources. This thesis presents new measurements of the hygroscopic behaviour of single organic droplets confined using two techniques: aerosol optical tweezers (AOT) and an electrodynamic balance (EDB). Values of the hygroscopicity parameter (K) are derived and added to a comprehensive literature survey to elucidate a relationship with droplet composition, in terms of the molecular ratio of oxygen to carbon atoms (OIC). These data are shown to be in broad qualitative agreement. However, variation in K for droplets of the same OIC is found to be significant, and discrepancies between subsaturated and supersaturated data are evident. The variabilities and uncertainties associated with characterising the kinetics of water transport in ultraviscous sucrose droplets are also presented. Droplets are exposed to a perturbation in relative humidity, and the resultant characteristic relaxation timescale (r) is determined from stimulated Raman spectra. Comparison of the experimental· evaporation data with simulated timescales shows excellent agreement, and r is shown to increase strongly with droplet radius. Qualitative agreement between experimental condensation data and simulated timescales is presented, and r is shown to increase with wait time (the time the perturbation is applied for). Finally, factors influencing the ability to perform controlled chemical synthesis in single droplets are investigated. The formation of Nylon-6,1 0 at the droplet-gas phase interface is used as a test case of the system, and the interplay between droplet volatility and reactivity is shown to be crucial for controlling the reaction. Further investigations demonstrate synthesis of picomolar concentrations (equivalent to a single dose) of a functionalised caprolactam anti-cancer drug. The challenges in reliably validating drug formation in aerosol are presented.
Books on the topic "Chemical Thermodynamics and Energetics"
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Rankin, W. John. Chemical Thermodynamics. First edition. | Boca Raton, FL : CRC Press/Taylor & Francis Group, 2019.: CRC Press, 2019. http://dx.doi.org/10.1201/9780429277252.
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Keszei, Ernö. Chemical Thermodynamics. Berlin, Heidelberg: Springer Berlin Heidelberg, 2012. http://dx.doi.org/10.1007/978-3-642-19864-9.
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Warn, J. R. W. (John Richard William), 1935-, ed. Concise chemical thermodynamics. 3rd ed. Boca Raton: Taylor & Francis, 2010.
Find full textBook chapters on the topic "Chemical Thermodynamics and Energetics"
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Urusov, V. S. "Crystal Chemical and Energetic Characterization of Solid Solution." In Thermodynamic Data, 162–93. New York, NY: Springer New York, 1992. http://dx.doi.org/10.1007/978-1-4612-2842-4_6.
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Sekimoto, Ken. "Structure of Macroscopic Thermodynamics." In Stochastic Energetics, 67–92. Berlin, Heidelberg: Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-642-05411-2_2.
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Astarita, Gianni. "Chemical Equilibria." In Thermodynamics, 269–89. Boston, MA: Springer US, 1989. http://dx.doi.org/10.1007/978-1-4899-0771-4_11.
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Sekimoto, Ken. "Fluctuations in Chemical Reactions." In Stochastic Energetics, 93–131. Berlin, Heidelberg: Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-642-05411-2_3.
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Turner, J. C. R. "Chemical Thermodynamics for Chemical Engineers." In Teaching Thermodynamics, 471–73. Boston, MA: Springer US, 1985. http://dx.doi.org/10.1007/978-1-4613-2163-7_49.
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Norman, Richard, and James M. Coxon. "Chemical thermodynamics." In Principles of Organic Synthesis, 5–19. Dordrecht: Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-2166-8_1.
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Evans, James W., and Lutgard C. De Jonghe. "Chemical Thermodynamics." In The Production and Processing of Inorganic Materials, 29–73. Cham: Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-48163-0_2.
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Shaw, D. J., and H. E. Avery. "Chemical Thermodynamics." In Work Out Physical Chemistry, 13–66. London: Macmillan Education UK, 1989. http://dx.doi.org/10.1007/978-1-349-10006-4_2.
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Liberman, Michael A. "Chemical Thermodynamics." In Introduction to Physics and Chemistry of Combustion, 27–51. Berlin, Heidelberg: Springer Berlin Heidelberg, 2008. http://dx.doi.org/10.1007/978-3-540-78759-4_2.
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Kondepudi, Dilip. "Chemical Thermodynamics." In Encyclopedia of Sciences and Religions, 344–52. Dordrecht: Springer Netherlands, 2013. http://dx.doi.org/10.1007/978-1-4020-8265-8_1126.
Full textConference papers on the topic "Chemical Thermodynamics and Energetics"
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Narayanan, V., X. Lu, and S. Hanagud. "Shock-Induced Chemical Reactions in Multi-Functional Structural Energetic Intermetallic Nanocomposite Mixtures." In ASME 2005 International Mechanical Engineering Congress and Exposition. ASMEDC, 2005. http://dx.doi.org/10.1115/imece2005-81636.
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Shock induced chemical reactions of intermetallics or mixtures of metal and metal-oxides are also used to synthesize new materials with unique phases and microstructures. These materials are also of significant interest to the energetics community because of the significant amount of heat energy released during chemical reactions when subjected to shock and/or thermal loading. Binary energetic materials are classified into two categories— metal/metal oxides and intermetallics. When these materials are synthesized at a nano level with binders and other structural reinforcements, the strength of the resulting mixture increases. Thus, these materials can be used as dual-functional binary energetic structural materials. In this paper, we study the shock-induced chemical reactions of intermetallic mixtures of nickel and aluminum of varying volume fractions of the constituents. The chemical reaction between nickel and aluminum produces different products based on the volume fraction of the starting nickel and aluminum. These chemical reactions along with the transition state are modeled at the continuum level. In this paper, the intermetallic mixture is impact loaded and the subsequent shock process and associated irreversible processes such as void collapse and chemical reactions are modeled in the framework of non-equilibrium thermodynamics. Extended irreversible thermodynamics (EIT) is used to describe the fluxes in this system and account for the associated irreversible processes. Numerical simulations of the intermetallic mixture are carried out using finite difference schemes.
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Teh, Kwee-Yan. "Thermodynamic Analysis of Fermentation and Anaerobic Growth of Baker’s Yeast." In ASME 2009 International Mechanical Engineering Congress and Exposition. ASMEDC, 2009. http://dx.doi.org/10.1115/imece2009-10401.
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Thermodynamic concepts have been used in the past to predict microbial cell yield under various growth conditions. Cell yield may be the key consideration in some industrial biotechnology applications. It is not the case, however, in the context of biofuel production. In this paper, we examine the thermodynamics of fermentation and concomitant growth of baker’s yeast in continuous culture experiments under anaerobic, glucose-limited conditions, with emphasis on the yield and efficiency of ethanol production. We find that anaerobic metabolism of baker’s yeast is very efficient; the process destroys less than 7% of the total chemical exergy supplied to the fermentation reactor. However, the exergy of ethanol secreted constitutes less than 60% of the in-flowing exergy, or 75% that of glucose fed to the continuous culture. Effects of varying the specific adenosine 5′-triphosphate (ATP) consumption rate, which is the fundamental parameter that quantifies the energetic requirements for cell growth and maintenance, are also examined.
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Lu, Sun-Shing, Kau-Fui V. Wong, and Larry Stoff. "Optimization of a Cooling Tower With Ozonation Based on Exergy." In ASME 1997 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 1997. http://dx.doi.org/10.1115/imece1997-0981.
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Abstract Cooling tower water treatment is necessary because water has dissolved materials that can deteriorate the operation of the cooling tower. In addition, bacteria in the water can be scattered into the air-conditioned area that can harm people. The first known case of the outbreak of the fatal Legionnaire’s disease in 1976 manifested this fact. There are several methods used in treating cooling water. The application of chemical water treatment is considered mainstream at present, however, its practice is under scrutiny because of environmental considerations. Water treatment with ozonation is selected because it is effective. It is relatively new and thought to be the least controversial of the “new” methods. Other “new” methods include magnetic and electrostatic method, etc. Additionally, many papers and reports have shown that ozonation not only cleans water but also reduces water and power consumption. This is very important especially in places where water and energy resources are not sufficient. The purpose of this paper is to perform an analysis on cooling tower water treatment according to the first and second law of thermodynamics (exergetic analysis), and try to optimize its operating conditions. The exergetic analysis is better than energetic one because it gives a clearer explanation of the performance, in particular, it takes into consideration the impact of the system on the environment.
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Sabadash, Vira, and Jaroslaw Gumnitsky. "Thermodynamics of ortophosphoric acid adsorption under static conditions." In Chemical technology and engineering. Lviv Polytechnic National University, 2019. http://dx.doi.org/10.23939/cte2019.01.167.
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Boyano, A., G. Tsatsaronis, T. Morosuk, and A. M. Blanco-Marigorta. "Advanced Exergetic Analysis of Chemical Processes." In ASME 2009 International Mechanical Engineering Congress and Exposition. ASMEDC, 2009. http://dx.doi.org/10.1115/imece2009-10463.
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In this paper, a steam methane reforming (SMR) process for the production of hydrogen is studied. The process is based on two chemical reactions (reforming and water-gas-shift reaction). For each component but especially focusing on the chemical reactors, the avoidable part of the exergy destruction is estimated. The assumptions required for these calculations are discussed in detail and represent the main contribution of this work to the development of exergy-based methods for the analysis of chemical processes. In an advanced exergy analysis, the exergy destruction within a component is split into avoidable/unavoidable parts. This splitting improves understanding of the sources of thermodynamic inefficiencies and facilitates a subsequent optimization of the overall process. The overall SMR process is characterized by high energetic and exergetic efficiencies. However, the majority of the exergy destruction is caused by the irreversibility of chemical reactions and heat transfer. Results of this paper suggest options for improving the efficiency of the overall process.
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Sahu, Jyoti, and Vinay A. Juvekar. "Thermodynamics of Concentrated Electrolytes: Need for Modification of Debye-Hückel Theory." In Annual International Conference on Chemistry, Chemical Engineering and Chemical Process. Global Science & Technology Forum (GSTF), 2015. http://dx.doi.org/10.5176/2301-3761_ccecp15.22.
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Rebhan, Anton, Andreas Gerhold, and Andreas Ipp. "Thermodynamics of QCD at large quark chemical potential." In 29th Johns Hopkins Workshop on current problems in particle theory: strong matter in the heavens. Trieste, Italy: Sissa Medialab, 2006. http://dx.doi.org/10.22323/1.022.0013.
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Agarwal, Gaurav, and Brian Lattimer. "Energetic Characterization of Decomposing Sample Using Simultaneous Thermal Analysis." In ASME 2012 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/imece2012-86609.
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A simultaneous thermogravimetric analyzer was used to investigate the gravimetric and energetic behavior of a decomposing sample under inert atmosphere. Materials tested in the study included liquid chemicals, polymers and composite samples. Mathematical models were developed from the first law of thermodynamics to quantify the energetic characteristics of a decomposing sample. Along with the effect of evolved gas products, the temperature dependent thermal and physical properties were included in the development of the mathematical models. Models were used to obtain the heat of melting, standard heat of decomposition, heat of decomposition, and heat of gasification of the solid materials. It was determined that the heat of decomposition of a sample is different than the area difference of the apparent and sensible heat flow curves, an approach that is currently used in the literature. The standard heat of decomposition was measured and validated against the standard heat of evaporation of known chemicals. The standard heat of decomposition of a sample was found to be a constant quantity, irrespective of the sample heating rate, initial mass of the sample and the inert content (ash) in the initial mass of the sample. Thus, the standard heat of decomposition is proposed as a unique energetic property of a sample.
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Diawati, Chansyanah. "Students’ conceptions and problem-solving ability on topic chemical thermodynamics." In PROCEEDINGS OF INTERNATIONAL SEMINAR ON MATHEMATICS, SCIENCE, AND COMPUTER SCIENCE EDUCATION (MSCEIS 2015). AIP Publishing LLC, 2016. http://dx.doi.org/10.1063/1.4941152.
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IPP, ANDREAS. "THERMODYNAMICS OF DECONFINED QCD AT SMALL AND LARGE CHEMICAL POTENTIAL." In Proceedings of the SEWM2004 Meeting. WORLD SCIENTIFIC, 2005. http://dx.doi.org/10.1142/9789812702159_0034.
Full textReports on the topic "Chemical Thermodynamics and Energetics"
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Jonas, Otakar, and Howard J. White. Chemical thermodynamics in steam power cycles data requirements :. Gaithersburg, MD: National Bureau of Standards, 1985. http://dx.doi.org/10.6028/nbs.ir.85-3205.
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Terah, E. I. Practical classes in general chemistry for students of specialties «General Medicine», «Pediatrics», «Dentistry». SIB-Expertise, April 2022. http://dx.doi.org/10.12731/er0556.13042022.
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Videos of 11 practical lessons on general chemistry are presented. The following topics are considered – chemical thermodynamics and kinetics, chemical equilibrium, methods of expressing the concentration of solutions, electrolyte solutions, pH, buffer solutions, hydrolysis, redox pro-cesses. For each topic, the main theoretical provisions are given, as well as a detailed solution of typical calculation problems is given. The total dura-tion of the video lessons is 8 hours 21 minutes.