Method for Manufacturing Base Powder Having Carbon
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Refining Crude Oil
REFINING CRUDE OIL New Zealand buys crude oil from overseas, as well as drilling for some oil locally. This oil is a mixture of many hydrocarbons that has to be refined before it can be used for fuel. All crude oil in New Zealand is refined by The New Zealand Refining Company at their Marsden Point refinery where it is converted to petrol, diesel, kerosene, aviation fuel, bitumen, refinery gas (which fuels the refinery) and sulfur. The refining process depends on the chemical processes of distillation (separating liquids by their different boiling points) and catalysis (which speeds up reaction rates), and uses the principles of chemical equilibria. Chemical equilibrium exists when the reactants in a reaction are producing products, but those products are being recombined again into reactants. By altering the reaction conditions the amount of either products or reactants can be increased. Refining is carried out in three main steps. Step 1 - Separation The oil is separated into its constituents by distillation, and some of these components (such as the refinery gas) are further separated with chemical reactions and by using solvents which dissolve one component of a mixture significantly better than another. Step 2 - Conversion The various hydrocarbons produced are then chemically altered to make them more suitable for their intended purpose. For example, naphthas are "reformed" from paraffins and naphthenes into aromatics. These reactions often use catalysis, and so sulfur is removed from the hydrocarbons before they are reacted, as it would 'poison' the catalysts used. The chemical equilibria are also manipulated to ensure a maximum yield of the desired product. -
General Disclaimer One Or More of the Following Statements May Affect
General Disclaimer One or more of the Following Statements may affect this Document This document has been reproduced from the best copy furnished by the organizational source. It is being released in the interest of making available as much information as possible. This document may contain data, which exceeds the sheet parameters. It was furnished in this condition by the organizational source and is the best copy available. This document may contain tone-on-tone or color graphs, charts and/or pictures, which have been reproduced in black and white. This document is paginated as submitted by the original source. Portions of this document are not fully legible due to the historical nature of some of the material. However, it is the best reproduction available from the original submission. Produced by the NASA Center for Aerospace Information (CASI) NASA CR - 159480 EXXON/GRUS. 1KWD. 78 NIGH PERFORMANCE, HIGH DENSITY HYDROCARBON FUELS J. W. Frankenfeld, T. W. Hastings, M. Lieberman and W. F. Taylor EXXON RESEARCH AND ENGINEERING COMPANY prepared for NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (NASA-CR-159''PO) HIGH PEPPOFMANCF, HIGH V79-20267 DENSTTv HYDR I-CARBON FTIELS (Exxon P.esearch and Engineering Co.) 239 rp HC A11/MF A01 CSCL 21D 'Inclas G3/28 19456 NASA Lewis Research Center Contract NAS 3-20394 Qnr{l,,Y^ ^'Pr I€ ^i NASA CR - 159480 EXXON/GRUS . 1KWD . 78 L: HIGH PERFORMANCE, HIGH DENSITY HYDROCARBON FUELS J. W. Frankenfeld, T. W. Hastings, M. Lieberman and W. F. Taylor EXXON RESEARCH AND ENGINEERING COMPANY prepared for NATIONAL AERONAUTICS AND SPACE ADMINISTRATION NASA Lewis Research Center Contract NAS 3-20394 FOREWARD The research described in this report was performed at Exxon Research and Engineering Company, Linden, New Jersey and Contract NAS 320394 with Mr. -
Polycyclic Aromatic Hydrocarbon Structure Index
NIST Special Publication 922 Polycyclic Aromatic Hydrocarbon Structure Index Lane C. Sander and Stephen A. Wise Chemical Science and Technology Laboratory National Institute of Standards and Technology Gaithersburg, MD 20899-0001 December 1997 revised August 2020 U.S. Department of Commerce William M. Daley, Secretary Technology Administration Gary R. Bachula, Acting Under Secretary for Technology National Institute of Standards and Technology Raymond G. Kammer, Director Polycyclic Aromatic Hydrocarbon Structure Index Lane C. Sander and Stephen A. Wise Chemical Science and Technology Laboratory National Institute of Standards and Technology Gaithersburg, MD 20899 This tabulation is presented as an aid in the identification of the chemical structures of polycyclic aromatic hydrocarbons (PAHs). The Structure Index consists of two parts: (1) a cross index of named PAHs listed in alphabetical order, and (2) chemical structures including ring numbering, name(s), Chemical Abstract Service (CAS) Registry numbers, chemical formulas, molecular weights, and length-to-breadth ratios (L/B) and shape descriptors of PAHs listed in order of increasing molecular weight. Where possible, synonyms (including those employing alternate and/or obsolete naming conventions) have been included. Synonyms used in the Structure Index were compiled from a variety of sources including “Polynuclear Aromatic Hydrocarbons Nomenclature Guide,” by Loening, et al. [1], “Analytical Chemistry of Polycyclic Aromatic Compounds,” by Lee et al. [2], “Calculated Molecular Properties of Polycyclic Aromatic Hydrocarbons,” by Hites and Simonsick [3], “Handbook of Polycyclic Hydrocarbons,” by J. R. Dias [4], “The Ring Index,” by Patterson and Capell [5], “CAS 12th Collective Index,” [6] and “Aldrich Structure Index” [7]. In this publication the IUPAC preferred name is shown in large or bold type. -
![Chemistry of Acenes, [60]Fullerenes, Cyclacenes and Carbon Nanotubes](https://docslib.b-cdn.net/cover/6902/chemistry-of-acenes-60-fullerenes-cyclacenes-and-carbon-nanotubes-516902.webp)
Chemistry of Acenes, [60]Fullerenes, Cyclacenes and Carbon Nanotubes
University of New Hampshire University of New Hampshire Scholars' Repository Doctoral Dissertations Student Scholarship Spring 2011 Chemistry of acenes, [60]fullerenes, cyclacenes and carbon nanotubes Chandrani Pramanik University of New Hampshire, Durham Follow this and additional works at: https://scholars.unh.edu/dissertation Recommended Citation Pramanik, Chandrani, "Chemistry of acenes, [60]fullerenes, cyclacenes and carbon nanotubes" (2011). Doctoral Dissertations. 574. https://scholars.unh.edu/dissertation/574 This Dissertation is brought to you for free and open access by the Student Scholarship at University of New Hampshire Scholars' Repository. It has been accepted for inclusion in Doctoral Dissertations by an authorized administrator of University of New Hampshire Scholars' Repository. For more information, please contact [email protected]. CHEMISTRY OF ACENES, [60]FULLERENES, CYCLACENES AND CARBON NANOTUBES BY CHANDRANI PRAMANIK B.Sc., Jadavpur University, Kolkata, India, 2002 M.Sc, Indian Institute of Technology Kanpur, India, 2004 DISSERTATION Submitted to the University of New Hampshire in Partial Fulfillment of the Requirements for the Degree of Doctor of Philosophy in Materials Science May 2011 UMI Number: 3467368 All rights reserved INFORMATION TO ALL USERS The quality of this reproduction is dependent upon the quality of the copy submitted. In the unlikely event that the author did not send a complete manuscript and there are missing pages, these will be noted. Also, if material had to be removed, a note will indicate the deletion. UMI Dissertation Publishing UMI 3467368 Copyright 2011 by ProQuest LLC. All rights reserved. This edition of the work is protected against unauthorized copying under Title 17, United States Code. ProQuest LLC 789 East Eisenhower Parkway P.O. -
Excited States of Molecules with Density Functional Theory and Many Body Perturbation Theory
Excited States of Molecules with Density Functional Theory and Many Body Perturbation Theory by Samia M. Hamed A dissertation submitted in partial satisfaction of the requirements for the degree of Doctor of Philosophy in Chemistry in the Graduate Division of the University of California, Berkeley Committee in charge: Professor Jeffrey B. Neaton, Chair Professor Martin Head-Gordon, Co-chair Professor Naomi Ginsberg Professor Michael F. Crommie Summer 2020 Excited States of Molecules with Density Functional Theory and Many Body Perturbation Theory Copyright 2020 by Samia M. Hamed 1 Abstract Excited States of Molecules with Density Functional Theory and Many Body Perturbation Theory by Samia M. Hamed Doctor of Philosophy in Chemistry University of California, Berkeley Professor Jeffrey B. Neaton, Chair Professor Martin Head-Gordon, Co-chair The accurate prediction of electronic excitation energies in molecules is an area of intense research of significant fundamental interest and is critical for many applications. Today, most excited state calculations use time-dependent density functional theory (TDDFT) in conjunction with an approximate exchange-correlation functional. In this dissertation, I have examined and critically assessed an alternative method for predicting charged and low-lying neutral excitations with similar computational cost: the ab initio Bethe-Salpeter equation (BSE) approach. Rigorously based on many-body Green's function theory but incorporating information from density functional theory, the predictive power of the BSE approach remained at the beginning of this work unexplored for the neutral and charged electronic excitations of organic molecules. Here, the results and implications of several systematic benchmarks are laid out in detail. i Contents Contents i List of Figures iii List of Tables vii 1 Electronic excited state calculations in molecules: challenges and oppor- tunities 1 1.1 Case Study 1: Biomimetic light harvesting complexes . -
Spectroscopic Study of Anisotropic Excitons in Single Crystal Hexacene † † ‡ ‡ ‡ † Alexey Chernikov,*, Omer Yaffe, Bharat Kumar, Yu Zhong, Colin Nuckolls, and Tony F
Letter pubs.acs.org/JPCL Spectroscopic Study of Anisotropic Excitons in Single Crystal Hexacene † † ‡ ‡ ‡ † Alexey Chernikov,*, Omer Yaffe, Bharat Kumar, Yu Zhong, Colin Nuckolls, and Tony F. Heinz*, † Departments of Physics and Electrical Engineering, Columbia University, New York, New York 10027, United States ‡ Department of Chemistry, Columbia University, New York, New York 10027, United States *S Supporting Information ABSTRACT: The linear optical response of hexacene single crystals over a spectral range of 1.3−1.9 eV was studied using polarization-resolved reflectance spectroscopy at cryogenic temperatures. We observe strong polarization anisotropy for all optical transitions. Pronounced deviations from the single-molecule, solution-phase spectra are present, with a measured Davydov splitting of 180 meV, indicating strong intermolecular coupling. The energies and oscillator strengths of the relevant optical transitions and polarization-dependent absorption coefficients are extracted from quantitative analysis of the data. SECTION: Spectroscopy, Photochemistry, and Excited States inear acenes, that is, naphthalene, anthracene, tetracene, established between the degree of CT character and the so- L and pentacene, form a unique family of organic semi- called Davydov splitting (DS)19 of the low-lying excitons conductors. These materials readily form large (>100 μm2) observed in polarization-resolved optical absorption spectra.6 single crystals that exhibit a “herring-bone” packing motif in Thus, experimental characterization of the intrinsic optical 1 which aromatic edge-to-face interactions dominate. During the properties of organic crystals also facilitates rational design of last few decades, this family has been the subject of many advanced optoelectronic devices. Naturally, the steady increase 2 experimental and theoretical studies, especially motivated by of the intermolecular coupling from naphthalene to pentacene fl potential applications in exible, low-cost optoelectronic crystals provides a strong impetus for a systematic study of even 3−5 devices. -
WO 2016/074683 Al 19 May 2016 (19.05.2016) W P O P C T
(12) INTERNATIONAL APPLICATION PUBLISHED UNDER THE PATENT COOPERATION TREATY (PCT) (19) World Intellectual Property Organization International Bureau (10) International Publication Number (43) International Publication Date WO 2016/074683 Al 19 May 2016 (19.05.2016) W P O P C T (51) International Patent Classification: (81) Designated States (unless otherwise indicated, for every C12N 15/10 (2006.01) kind of national protection available): AE, AG, AL, AM, AO, AT, AU, AZ, BA, BB, BG, BH, BN, BR, BW, BY, (21) International Application Number: BZ, CA, CH, CL, CN, CO, CR, CU, CZ, DE, DK, DM, PCT/DK20 15/050343 DO, DZ, EC, EE, EG, ES, FI, GB, GD, GE, GH, GM, GT, (22) International Filing Date: HN, HR, HU, ID, IL, IN, IR, IS, JP, KE, KG, KN, KP, KR, 11 November 2015 ( 11. 1 1.2015) KZ, LA, LC, LK, LR, LS, LU, LY, MA, MD, ME, MG, MK, MN, MW, MX, MY, MZ, NA, NG, NI, NO, NZ, OM, (25) Filing Language: English PA, PE, PG, PH, PL, PT, QA, RO, RS, RU, RW, SA, SC, (26) Publication Language: English SD, SE, SG, SK, SL, SM, ST, SV, SY, TH, TJ, TM, TN, TR, TT, TZ, UA, UG, US, UZ, VC, VN, ZA, ZM, ZW. (30) Priority Data: PA 2014 00655 11 November 2014 ( 11. 1 1.2014) DK (84) Designated States (unless otherwise indicated, for every 62/077,933 11 November 2014 ( 11. 11.2014) US kind of regional protection available): ARIPO (BW, GH, 62/202,3 18 7 August 2015 (07.08.2015) US GM, KE, LR, LS, MW, MZ, NA, RW, SD, SL, ST, SZ, TZ, UG, ZM, ZW), Eurasian (AM, AZ, BY, KG, KZ, RU, (71) Applicant: LUNDORF PEDERSEN MATERIALS APS TJ, TM), European (AL, AT, BE, BG, CH, CY, CZ, DE, [DK/DK]; Nordvej 16 B, Himmelev, DK-4000 Roskilde DK, EE, ES, FI, FR, GB, GR, HR, HU, IE, IS, IT, LT, LU, (DK). -
Synthesis of an Unsymmetrically Pentafunctionalized Corannulene Derivative (Part I) Synthesis of Platinum and Ethynyl-Platinum Corannulenes (Part II)
Zurich Open Repository and Archive University of Zurich Main Library Strickhofstrasse 39 CH-8057 Zurich www.zora.uzh.ch Year: 2012 Synthesis of an Unsymmetrically Pentafunctionalized Corannulene Derivative (Part I) Synthesis of Platinum and Ethynyl-Platinum Corannulenes (Part II) Maag, Roman M Posted at the Zurich Open Repository and Archive, University of Zurich ZORA URL: https://doi.org/10.5167/uzh-164179 Dissertation Published Version Originally published at: Maag, Roman M. Synthesis of an Unsymmetrically Pentafunctionalized Corannulene Derivative (Part I) Synthesis of Platinum and Ethynyl-Platinum Corannulenes (Part II). 2012, University of Zurich, Faculty of Science. Part I: Synthesis of an Unsymmetrically Pentafunctionalized Corannulene Derivative and Part II: Synthesis of Platinum and Ethynyl-Platinum Corannulenes Dissertation zur Erlangung der naturwissenschaftlichen Doktorwurde¨ Dr. sc. nat. vorgelegt der Mathematisch-naturwissenschaftlichen Fakult¨at der Universit¨at Zurich¨ von Roman M. Maag von Winkel ZH Promotionskommitee: Prof. Dr. Jay S. Siegel (Vorsitz) Prof. Dr. Kim K. Baldridge Prof. Dr. Cristina Nevado Prof. Dr. Roger Alberto Zurich,¨ 2012 Abstract of the Dissertation Part I: Synthesis of an Unsymmetrically Pentafunctionalized Corannulene Derivative and Part II: Synthesis of Platinum and Ethynyl-Platinum Corannulenes by Roman M. Maag University of Zurich, 2012 Prof. Dr. Jay S. Siegel, Chair Corannulene (C20H10) is a polyaromatic hydrocarbon that can be considered as the smallest fragment of Buckminsterfullerene exhibiting a curved surface. Among the in- teresting properties of corannulene are rapid bowl inversion and esthetically appealing fivefold symmetry (C5v), which is rare in chemistry. Whereas the first synthesis in 1968 only afforded milligram quantities, several improvements in the synthetic strategy finally culminated in the development of an efficient process which today furnishes corannulene in kilogram quantities. -
Molecular Assembly of Polycyanoarenes with Silver Salts
MOLECULAR ASSEMBLY OF POLYCYANOARENES WITH SILVER SALTS AND SYNTHESIS OF POLYCYCLIC AROMATIC HYDROCARBONS A DISSERTATION IN Chemistry and Pharmaceutical Sciences Presented to the Faculty of the University of Missouri-Kansas City in partial fulfillment of the requirements for the degree DOCTOR OF PHILOSOPHY by GERARDO B. MÁRQUEZ B.Sc. Central University of Venezuela, 1993 Kansas City, Missouri 2012 © 2012 GERARDO B. MÁRQUEZ ALL RIGHTS RESERVEDED MOLECULAR ASSEMBLY OF POLYCYANORENES WITH SILVER SALTS AND SYNTHESIS OF POLYCYCLIC AROMATIC HYDROCARBONS Gerardo Batalla Márquez, Candidate for the Doctor of Philosophy Degree University of Missouri-Kansas City, 2012 ABSTRACT This dissertation encompasses the investigation of two distinct subjects. In the first part, which is in the area of molecular self-assembly, the complexation of organonitrile aryl compounds with three different types of silver (I) salts is examined in the solid state. The assembly of 1-(2,2-dicyanovinyl)naphthalene with silver hexafluoroantimonate resulted in a cationic 3D network. Complexation of 4-(2,2-dicyanovinyl)biphenyl with silver tetrafluoroborate and hexafluoroantimonate from benzene generated two similar structures. While the former displays a cationic 3D network, the latter is defined by cationic 2D sheets. Complexation of 9-(2,2-dicyanovinyl)anthracene with silver hexafluoroantimonate from toluene afforded a cationic 2D ribbon, and from benzene, it yielded cationic 2D sheets. These complexes contained solvent bonded to their structures. However, the hexafluoroantimonate ion is nonbonding. The crystal association of 1,4-bis(cyanovinyl)benzene with silver triflate from benzene yielded neutral 2D sheets whose imperfect-rectangular macrocyclic arrangements are interconnected on both sides by bridges of benzene. On the other hand, the assembly of 1,3- bis(cyanovinyl)benzene with silver triflate from benzene afforded a neutral 3D network formed by two interconnected rings. -
Anti‐Aromatic Versus Induced Paratropicity ... -.:. Michael Pittelkow
Angewandte Forschungsartikel Chemie Deutsche Ausgabe:DOI:10.1002/ange.201913552 Circulenes Internationale Ausgabe:DOI:10.1002/anie.201913552 Anti-Aromatic versus Induced Paratropicity:Synthesis and InterrogationofaDihydro-diazatrioxa[9]circulene with aProton Placed Directly above the Central Ring Stephan K. Pedersen, Kristina Eriksen, Nataliya N. Karaush-Karmazin, Boris Minaev, Hans gren, Gleb V. Baryshnikov* und Michael Pittelkow* Abstract: We present ahigh-yielding intramolecular oxidative coupling within adiazadioxa[10]helicene to give adihydro- diazatrioxa[9]circulene.This is the first [n]circulene contain- ing more than eight ortho-annulated rings (n > 8). The single- crystal X-raystructure reveals atight columnar packing, with aproton from apendant naphthalene moiety centred directly abovethe central nine-membered ring. This distinct environ- ment induces asignificant magnetic deshielding effect on that particular proton as determined by 1HNMR spectroscopy. The origin of the deshielding effect was investigated computation- ally in terms of the NICS values.Itisestablished that the deshielding effect originates from an induced paratropic ring current from the seven aromatic rings of the [9]circulene structure,and is not due to the nine-membered ring being antiaromatic.UV/Vis spectroscopyreveals more efficient Figure 1. Simplified illustration of the influence of diatropic and para- conjugation in the prepared diazatrioxa[9]circulene compared tropic ring currents on the 1Hchemical shift inside and outside of to the parent helical azaoxa[10]helicenes,and -
Synthesis of Functionalized Benzenoid Macrocycles: an Approach to Accessing Functionalized Cycloparaphenylenes
Synthesis of Functionalized Benzenoid Macrocycles: An Approach to Accessing Functionalized Cycloparaphenylenes by Rolande Meudom A thesis submitted to the Graduate Faculty of Auburn University in partial fulfillment of the requirements for the Degree of Master of Science Auburn, Alabama May 8, 2016 Keywords: Carbon nanotubes, Cycloparaphenylenes, p-terphenylophanes, Bent p-phenylene Macrocycles, Copyright 2016 by Rolande Meudom Approved by Bradley L. Merner, Chair, Assistant Professor of Chemistry and Biochemistry Peter Livant, Associate Professor of Chemistry and Biochemistry Anne E. V. Gorden, Associate Professor of Chemistry and Biochemistry Steven Mansoorabadi, Assistant Professor of Chemistry and Biochemistry Abstract Carbon nanotubes (CNTs) are cylindrically shaped allotropes of carbon with exceptionally good electronic and optical properties. The current state of art for making these CNTs involves heating graphite in a high temperature furnace (above 600 °C). The use of harsh temperatures makes the process unselective and produces CNTs as an inseparable mixture of products. Currently, there is no efficient purification technique for isolating pure CNTs. In order to fully exploit the electronic properties of CNTs, they need to be made as homogeneous and monodispersed structures. Thus, synthetic chemists envisioned using chemical synthesis from the ground-up via a template strategy as a more viable approach to achieve the selective synthesis of uniform CNTs structures with a defined chirality and diameter. This is because the selective synthesis of curved PAHs like [n]ciruclenes and CNT substructures could only be accomplished through chemical synthesis. The work described herein focuses on a new approach to accessing highly distorted p-phenylenes, which does not rely on cross coupling reactions and the use of the Burgess reagent as a mild dehydrative aromatization agent, giving access to highly strained benzenoid macrocycles. -
![[7]Helicene to a Planar Hetero[8]Circulene Bodil Lousen,[A] Stephan K](https://docslib.b-cdn.net/cover/9648/7-helicene-to-a-planar-hetero-8-circulene-bodil-lousen-a-stephan-k-1969648.webp)
[7]Helicene to a Planar Hetero[8]Circulene Bodil Lousen,[A] Stephan K
Communication Chemistry—A European Journal doi.org/10.1002/chem.201905339 & Non-Planar Aromatics Compressing aNon-Planar Aromatic Heterocyclic [7]Helicene to a Planar Hetero[8]Circulene Bodil Lousen,[a] Stephan K. Pedersen,[a] Pernille Bols,[a] Kasper H. Hansen,[a] MichelleR.Pedersen,[a] Ole Hammerich,[a] Sergey Bondarchuk,[b] Boris Minaev,[b] Glib V. Baryshnikov,[c] Hans gren,[c, d] and MichaelPittelkow*[a] cally chiral moleculeshave found vast applications in such di- Abstract: This work describes asyntheticapproachwhere verse fields as molecular recognition,catalysis anddetection or anon-planar aromatic heterocyclic [7]helicene is com- emissionofcircularlypolarized light.[2–5] Structurally related pressedtoyield ahetero[8]circulene containing an inner motifstothe [n]helicenes are the [n]circulenes. These struc- antiaromatic cyclooctatetraene (COT) core. This [8]circu- tures also consist of ortho-annulatedaromatic rings, but in- lene consists of four benzene rings and four heterocyclic stead forms acyclic structure, having acentral ring with n rings, and it is the first heterocyclic[8]circulenecontaining sides.Itisillustrative to view the all-benzene series of [n]circu- three differentheteroatoms. The synthetic pathway pro- lenes,which consistsofthe bowl-shaped carba[5]circulene ceeds via athe flattened dehydro-hetero[7]helicene, (corannulene), the planar carba[6]circulene(coronene) andthe which is partially ahelicene and partially acirculene:itis saddle-shaped[7]- and [8]circulenes. Hetero[8]circulenes incor- non-planar and helically chiral as helicenes, and contains a poratingfour five-membered heterocycles(furans,pyrroles, COT motif like [8]circulenes. The antiaromaticity of the thiophenes)are planar,[6,7] and these structures can be viewed COT core is confirmed by nucleusindependent chemical as containingantiaromaticcyclooctatetraene(COT) cores.