computational experimental studies (67 risultati)

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Condizione: Gebraucht / Used. 2008. Pap. 151pp. 8°. Diss./Thesis. Blibliogr.

Wrappers (paperback) 258,(2) pp.; 24 cm. Thesis, 'Katholieke Universiteit Nijmegen'. "MPI series in psycholinguistics; 23" Text in English with summary in Dutch and Spanish - (previous owner's name at top of title page) Otherwise as new. 620g.

Paperback. Condizione: Brand New. 52 pages. 8.66x5.91x0.12 inches. In Stock.

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Condizione: New.

Condizione: New.

Paperback. Condizione: Brand New. 196 pages. 8.66x5.91x0.45 inches. In Stock.

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Taschenbuch. Condizione: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - It is important to realize the charge transfer process between biologically active molecules and inorganic or organic molecules because this collaboration can be used to elucidate biologically active molecule-receptor interactions. A broad spectrophotometric study was performed to describe the chemical process of amino acid complexation. The molecular structure, spectral properties, and interaction modes are derived from ultraviolet-visible light and infrared spectroscopy. Spectral parameters such as association constant (K), extinction coefficient ( max), ionization potential (IP), the energy of the charge transfer complex (ECT), resonance energy (RN), dissociation energy (W), and standard Gibbs energy ( G0) have been calculated. A computational study has been carried out using advanced software to know the structural features. The calculation of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) helps us characterize the chemical reactivity and dynamic stability of molecules. A good agreement was found between the experimental and computed results.

Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -The book entitled 'Charge Transfer Complexes: Experimental and Computational Studies' ___________________________________________________________Chapter-I: This chapter presents the introduction of charge transfer complexes and a study of their experimental and computational analysis. Chapter-II: This chapter deals with the preparation of standard stock solutions of donors and acceptors and the synthesis of the solid CT complexes along with characterization techniques. Chapter-III: This chapter describes the charge transfer complex of benzhydryl piperazine as a donor with the pi-acceptor of 2, 3-dichloro-5, 6-dicyano-1, 4-benzoquinone has been studied spectrophotometrically in acetonitrile medium at different temperatures. DFT investigation evaluated the bond lengths, bond angles, Mulliken atomic charges, MEP maps, and HOMO-LUMO of CT complexes. Chapter-IV: This chapter describes new charge transfer complexes of 2-Ethyl -6-methylaniline as a donor with pi-acceptors 2, 3-dichloro-5, 6-dicyano-1, 4-benzoquinone (DDQ) and 2, 3, 5, 6-tetrachloro-p-benzoquinone (CHL) have been studied spectrophotometrically in acetonitrile solvent at room temperature. 108 pp. Englisch.

Condizione: New.

Taschenbuch. Condizione: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - The goals of this book were to measure the thermal conductivity, specific heat, and density of different propylene glycol nanofluids; compare the results with existing equations; and develop new equations with the obtained data. Using new equations, a numerical study has been performed to study the benefits of nanofluids in cold climate ground source heat pumps. Nanofluids are dispersions of nanoparticles with average sizes of less than 100 nm in heat transfer fluids such as water, oil, ethylene glycol, and propylene glycol. In cold regions, the common heat transfer fluids used are ethylene glycol (EG) and propylene glycol (PG). In the present research, a propylene glycol (PG) and 40% water (W) by mass fluid mixture was used as a base fluid, which has a freezing point of -51.1 0C.

Taschenbuch. Condizione: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - This study covers three Geldart groups, and includes state-of-the-art experimental measurements and first-principles prediction The authors solved a longstanding problem in fluidization, namely extremely low Sherwood number of fine particles in fluidized beds The authors showed that the well-known core-annulus profile reverses in slugging fluidization of Geldart D particles due to particle inertia effects This new finding is a robust and important one since core-annulus behavior is not desired These contributions to the field of particle technology are of high impact, and expected to be of lasting influence -Christine Hrenya, Professor of Chemical and Biological Engineering, University of Colorado at Boulder. The authors have shown that we can eliminate the core-annular regime in risers By directly computing the mass transfer coefficients, the need to include empirical parameters could be eliminated to obtain more accurate conversion rates -Reza Mostofi, Ph.D., UOP, A Honeywell Company.

Taschenbuch. Condizione: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - The present work aims at arriving at a better understanding of the suction, compression and discharge processes in a twin-screw compressor, particularly the thermofluid phenomena taking place inside the air end during these processes. For understanding the thermofluid processes taking place inside the screw compressor, it is necessary to build a numerical model and to validate it through experiments. Based on this understanding, it is proposed to explore the possibility of using commercially available low cost air compressors for compression of gases such as argon and helium used in cryogenic process plants.