Laboratory Explosive and High Energy Materials Policy
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Tolerance and Resistance to Organic Nitrates in Human Blood Vessels
\ö-\2- Tolerance and Resistance to Organic Nitrates in Human Blood Vessels Peter Radford Sage MBBS, FRACP Thesis submit.ted for the degree of Doctor of Philosuphy Department of Medicine University of Adelaide and Cardiology Unit The Queen Elizabeth Hospital I Table of Gontents Summary vii Declaration x Acknowledgments xi Abbreviations xil Publications xtil. l.INTRODUCTION l.L Historical Perspective I i.2 Chemical Structure and Available Preparations I 1.3 Cellular/biochemical mechanism of action 2 1.3.1 What is the pharmacologically active moiety? 3 1.3.2 How i.s the active moiety formed? i 4 1.3.3 Which enzyme system(s) is involved in nitrate bioconversi<¡n? 5 1.3.4 What is the role of sulphydryl groups in nitrate action? 9 1.3.5 Cellular mechanism of action after release of the active moiety 11 1.4 Pharmacokinetics t2 1.5 Pharmacological Effects r5 1.5.1 Vascular effects 15 l.5.2Platelet Effects t7 1.5.3 Myocardial effects 18 1.6 Clinical Efhcacy 18 1.6.1 Stable angina pectoris 18 1.6.2 Unstable angina pectoris 2t 1.6.3 Acute myocardial infarction 2l 1.6.4 Congestive Heart Failure 23 ll 1.6.5 Other 24 1.7 Relationship with the endothelium and EDRF 24 1.7.1 EDRF and the endothelium 24 1.7.2 Nitrate-endothelium interactions 2l 1.8 Factors limiting nitrate efficacy' Nitrate tolerance 28 1.8.1 Historical notes 28 1.8.2 Clinical evidence for nitrate tolerance 29 1.8.3 True/cellular nitrate tolerance 31 1.8.3.1 Previous studies 31 | .8.3.2 Postulated mechanisms of true/cellular tolerance JJ 1.8.3.2.1 The "sulphydryl depletion" hypothesis JJ 1.8.3.2.2 Desensitization of guanylate cyclase 35 1 8.i.?..3 Impaired nitrate bioconversion 36 1.8.3.2.4'Ihe "superoxide hypothesis" 38 I.8.3.2.5 Other possible mechanisms 42 1.8.4 Pseudotolerance ; 42 1.8.4. -
Monopropellant System
~™ mil ii ii nun mi iiiii iiiii (19) J European Patent Office Office europeen des brevets (11) EP 0 950 648 A1 (12) EUROPEAN PATENT APPLICATION (43) Date of publication:ation: (51) Int. CI.6: C06D 5/08 20.10.1999 Bulletin 1999/42 (21) Application number: 98201190.0 (22) Date of filing: 15.04.1998 (84) Designated Contracting States: (72) Inventors: AT BE CH CY DE DK ES Fl FR GB GR IE IT LI LU • van den Berg, Ronald Peter MC NL PT SE 2291 KJ Wateringen (NL) Designated Extension States: • Mul, Johannes Maria AL LT LV MK RO SI 2013 AE Haarlem (NL) • Elands, Petrus Johannes Maria (71) Applicant: 2804 LK Gouda (NL) NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK (74) Representative: ONDERZOEK Smulders, Theodorus A.H.J., Ir. et al TNO Vereenigde Octrooibureaux 2628 VK Delft (NL) Nieuwe Parklaan 97 2587 BN 's-Gravenhage (NL) (54) Monopropellant system (57) The invention is directed to a monopropellant composition for propulsion and/or gas generation, com- prising a solution of hydrazinium nitroformate (HNF) and/or ammonium dinitramide (ADN) in water and/or an alkanol. < CO CO o LO o Q_ LU Printed by Xerox (UK) Business Services 2.16.7/3.6 EP 0 950 648 A1 Description [0001] The present invention is in the area of monopropellant composition systems, for instance for spacecraft pro- pulsion, in emergency systems for jet fighters or in emergency gasgeneration systems for submarines. 5 [0002] Spacecraft propulsion is defined as that needed for the orientation (attitude control) and positioning (orbit con- trol including de-orbiting) of spacecraft after delivery into the required orbit by the launch vehicle. -
Primary-Explosives
Improvised Primary Explosives © 1998 Dirk Goldmann No part of the added copyrighted parts (except brief passages that a reviewer may quote in a review) may be reproduced in any form unless the reproduced material includes the following two sentences: The copyrighted material may be reproduced without obtaining permission from anyone, provided: (1) all copyrighted material is reproduced full-scale. WARNING! Explosives are danegerous. In most countries it's forbidden to make them. Use your mind. You as an explosives expert should know that. 2 CONTENTS Primary Explosives ACETONE PEROXIDE 4 DDNP/DINOL 6 DOUBLE SALTS 7 HMTD 9 LEAD AZIDE 11 LEAD PICRATE 13 MEKAP 14 MERCURY FULMINATE 15 "MILK BOOSTER" 16 NITROMANNITE 17 SODIUM AZIDE 19 TACC 20 Exotic and Friction Primers LEAD NITROANILATE 22 NITROGEN SULFIDE 24 NITROSOGUANIDINE 25 TETRACENE 27 CHLORATE-FRICTION PRIMERS 28 CHLORATE-TRIMERCURY-ACETYLIDE 29 TRIHYDRAZINE-ZINC (II) NITRATE 29 Fun and Touch Explosives CHLORATE IMPACT EXPLOSIVES 31 COPPER ACETYLIDE 32 DIAMMINESILVER II CHLORATE 33 FULMINATING COPPER 33 FULMINATING GOLD 34 FULMINATING MERCURY 35 FULMINATING SILVER 35 NITROGEN TRICHLORIDE 36 NITROGEN TRIIODIDE 37 SILVER ACETYLIDE 38 SILVER FULMINATE 38 "YELLOW POWDER" 40 Latest Additions 41 End 3 PRIMARY EXPLOSIVES ACETONE PEROXIDE Synonyms: tricycloacetone peroxide, acetontriperoxide, peroxyacetone, acetone hydrogen explosive FORMULA: C9H18O6 VoD: 3570 m/s @ 0.92 g/cc. 5300 m/s @ 1.18 g/cc. EQUIVALENCE: 1 gram = No. 8 cap .75 g. = No. 6 cap SENSITIVITY: Very sensitive to friction, flame and shock; burns violently and can detonate even in small amounts when dry. DRAWBACKS: in 10 days at room temp. 50 % sublimates; it is best made immediately before use. -
Nitric Oxide Releasing Chelating Agents and Their
Europäisches Patentamt *EP001060174B1* (19) European Patent Office Office européen des brevets (11) EP 1 060 174 B1 (12) EUROPEAN PATENT SPECIFICATION (45) Date of publication and mention (51) Int Cl.7: C07D 401/12, A61K 31/44 of the grant of the patent: 22.09.2004 Bulletin 2004/39 (86) International application number: PCT/GB1998/003840 (21) Application number: 98962567.8 (87) International publication number: (22) Date of filing: 18.12.1998 WO 1999/033823 (08.07.1999 Gazette 1999/27) (54) NITRIC OXIDE RELEASING CHELATING AGENTS AND THEIR THERAPEUTIC USE STICKSTOFFOXID FREISETZENDE CHELATBILDNER UND IHRE THERAPEUTISCHE VERWENDUNG CHELATEURS LIBERANT DE L’OXYDE NITRIQUE ET LEUR EMPLOI A DES FINS THERAPEUTIQUES (84) Designated Contracting States: (74) Representative: AT BE CH CY DE DK ES FI FR GB GR IE IT LI LU Hammett, Audrey Grace Campbell et al MC NL PT SE Amersham plc Amersham Place (30) Priority: 23.12.1997 GB 9727226 Little Chalfont, Bucks. HP7 9NA (GB) 13.03.1998 GB 9805450 (56) References cited: (43) Date of publication of application: EP-A- 0 292 761 WO-A-93/20806 20.12.2000 Bulletin 2000/51 WO-A-95/12394 WO-A-96/31217 WO-A-96/39409 WO-A-97/49390 (73) Proprietor: Amersham Health AS US-A- 5 250 550 0401 Oslo (NO) • MOORADIAN D L ET AL: "NITRIC OXIDE (NO) (72) Inventors: DONOR MOLECULES: EFFECT OF NO • TOWART, Robertson RELEASE RATE ON VASCULAR SMOOTH Stoke Poges SL2 4PT (GB) MUSCLE CELL PROLIFERATION IN VITRO" • KARLSSON, Jan, Olof, Gustav JOURNAL OF CARDIOVASCULAR N-1450 Nesoddtangen (NO) PHARMACOLOGY, vol. -
Chemical Name Federal P Code CAS Registry Number Acutely
Acutely / Extremely Hazardous Waste List Federal P CAS Registry Acutely / Extremely Chemical Name Code Number Hazardous 4,7-Methano-1H-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro- P059 76-44-8 Acutely Hazardous 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10- hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide P050 115-29-7 Acutely Hazardous Methanimidamide, N,N-dimethyl-N'-[2-methyl-4-[[(methylamino)carbonyl]oxy]phenyl]- P197 17702-57-7 Acutely Hazardous 1-(o-Chlorophenyl)thiourea P026 5344-82-1 Acutely Hazardous 1-(o-Chlorophenyl)thiourea 5344-82-1 Extremely Hazardous 1,1,1-Trichloro-2, -bis(p-methoxyphenyl)ethane Extremely Hazardous 1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta (cd) pentalene, Dechlorane Extremely Hazardous 1,1a,3,3a,4,5,5,5a,5b,6-Decachloro--octahydro-1,2,4-metheno-2H-cyclobuta (cd) pentalen-2- one, chlorecone Extremely Hazardous 1,1-Dimethylhydrazine 57-14-7 Extremely Hazardous 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4,4a,5,6,7,8,8a-octahydro-1,4-endo-endo-5,8- dimethanonaph-thalene Extremely Hazardous 1,2,3-Propanetriol, trinitrate P081 55-63-0 Acutely Hazardous 1,2,3-Propanetriol, trinitrate 55-63-0 Extremely Hazardous 1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetra- hydro- indane Extremely Hazardous 1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]- 51-43-4 Extremely Hazardous 1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, P042 51-43-4 Acutely Hazardous 1,2-Dibromo-3-chloropropane 96-12-8 Extremely Hazardous 1,2-Propylenimine P067 75-55-8 Acutely Hazardous 1,2-Propylenimine 75-55-8 Extremely Hazardous 1,3,4,5,6,7,8,8-Octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methanoisobenzofuran Extremely Hazardous 1,3-Dithiolane-2-carboxaldehyde, 2,4-dimethyl-, O- [(methylamino)-carbonyl]oxime 26419-73-8 Extremely Hazardous 1,3-Dithiolane-2-carboxaldehyde, 2,4-dimethyl-, O- [(methylamino)-carbonyl]oxime. -
DEPARTMENT of JUSTICE Bureau of Alcohol
This document is scheduled to be published in the Federal Register on 12/28/2017 and available online at https://federalregister.gov/d/2017-28010, and on FDsys.gov (Billing Code: 4410-FY-P) DEPARTMENT OF JUSTICE Bureau of Alcohol, Tobacco, Firearms, and Explosives [Docket No. 2017R-19] Commerce in Explosives; 2017 Annual List of Explosive Materials AGENCY: Bureau of Alcohol, Tobacco, Firearms, and Explosives (ATF); Department of Justice. ACTION: Notice of List of Explosive Materials. SUMMARY: Pursuant to Federal law, the Department of Justice must publish and revise at least annually in the Federal Register a list of explosives determined to be explosive materials. The list covers not only explosives, but also blasting agents and detonators, all of which are defined as “explosive materials.” This notice contains the 2017 Annual List of Explosive Materials, which remains unchanged from the 2016 Annual List of Explosives. DATES: The list becomes effective [INSERT DATE OF PUBLICATION IN THE FEDERAL REGISTER]: FOR FURTHER INFORMATION, CONTACT: William E. Frye Jr., Chief, Explosives Industry Programs Branch; Firearms and Explosives Industry Division; Bureau of Alcohol, Tobacco, Firearms, and Explosives; United States Department of Justice; 99 New York Avenue, N.E., Washington, D.C. 20226; (202) 648-7120. SUPPLEMENTARY INFORMATION: Each material listed, as well as all mixtures containing any of these materials, constitute “explosive materials” under 18 U.S.C. 841(c). Materials constituting blasting agents are marked by an asterisk. While the list is comprehensive, it is not all-inclusive. The fact that an explosive material is not on the list does not mean that it is not within the coverage of the law if it otherwise meets the statutory definition in 18 U.S.C. -
Acutely / Extremely Hazardous Waste List
Acutely / Extremely Hazardous Waste List Federal P CAS Registry Acutely / Extremely Chemical Name Code Number Hazardous 4,7-Methano-1H-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro- P059 76-44-8 Acutely Hazardous 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10- hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide P050 115-29-7 Acutely Hazardous Methanimidamide, N,N-dimethyl-N'-[2-methyl-4-[[(methylamino)carbonyl]oxy]phenyl]- P197 17702-57-7 Acutely Hazardous 1-(o-Chlorophenyl)thiourea P026 5344-82-1 Acutely Hazardous 1-(o-Chlorophenyl)thiourea 5344-82-1 Extemely Hazardous 1,1,1-Trichloro-2, -bis(p-methoxyphenyl)ethane Extemely Hazardous 1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta (cd) pentalene, Dechlorane Extemely Hazardous 1,1a,3,3a,4,5,5,5a,5b,6-Decachloro--octahydro-1,2,4-metheno-2H-cyclobuta (cd) pentalen-2- one, chlorecone Extemely Hazardous 1,1-Dimethylhydrazine 57-14-7 Extemely Hazardous 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4,4a,5,6,7,8,8a-octahydro-1,4-endo-endo-5,8- dimethanonaph-thalene Extemely Hazardous 1,2,3-Propanetriol, trinitrate P081 55-63-0 Acutely Hazardous 1,2,3-Propanetriol, trinitrate 55-63-0 Extemely Hazardous 1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetra- hydro- indane Extemely Hazardous 1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]- 51-43-4 Extemely Hazardous 1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, P042 51-43-4 Acutely Hazardous 1,2-Dibromo-3-chloropropane 96-12-8 Extemely Hazardous 1,2-Propylenimine P067 75-55-8 Acutely Hazardous 1,2-Propylenimine 75-55-8 Extemely Hazardous 1,3,4,5,6,7,8,8-Octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methanoisobenzofuran Extemely Hazardous 1,3-Dithiolane-2-carboxaldehyde, 2,4-dimethyl-, O- [(methylamino)-carbonyl]oxime 26419-73-8 Extemely Hazardous 1,3-Dithiolane-2-carboxaldehyde, 2,4-dimethyl-, O- [(methylamino)-carbonyl]oxime. -
Potentially Explosive Chemicals*
Potentially Explosive Chemicals* Chemical Name CAS # Not 1,1’-Diazoaminonaphthalene Assigned 1,1-Dinitroethane 000600-40-8 1,2,4-Butanetriol trinitrate 006659-60-5 1,2-Diazidoethane 000629-13-0 1,3,5-trimethyl-2,4,6-trinitrobenzene 000602-96-0 1,3-Diazopropane 005239-06-5 Not 1,3-Dinitro-4,5-dinitrosobenzene Assigned Not 1,3-dinitro-5,5-dimethyl hydantoin Assigned Not 1,4-Dinitro-1,1,4,4-tetramethylolbutanetetranitrate Assigned Not 1,7-Octadiene-3,5-Diyne-1,8-Dimethoxy-9-Octadecynoic acid Assigned 1,8 –dihydroxy 2,4,5,7-tetranitroanthraquinone 000517-92-0 Not 1,9-Dinitroxy pentamethylene-2,4,6,8-tetramine Assigned 1-Bromo-3-nitrobenzene 000585-79-5 Not 2,2',4,4',6,6'-Hexanitro-3,3'-dihydroxyazobenzene Assigned 2,2-di-(4,4,-di-tert-butylperoxycyclohexyl)propane 001705-60-8 2,2-Dinitrostilbene 006275-02-1 2,3,4,6- tetranitrophenol 000641-16-7 Not 2,3,4,6-tetranitrophenyl methyl nitramine Assigned Not 2,3,4,6-tetranitrophenyl nitramine Assigned Not 2,3,5,6- tetranitroso nitrobenzene Assigned Not 2,3,5,6- tetranitroso-1,4-dinitrobenzene Assigned 2,4,6-Trinitro-1,3,5-triazo benzene 029306-57-8 Not 2,4,6-trinitro-1,3-diazabenzene Assigned Not 2,4,6-Trinitrophenyl trimethylol methyl nitramine trinitrate Assigned Not 2,4,6-Trinitroso-3-methyl nitraminoanisole Assigned 2,4-Dinitro-1,3,5-trimethyl-benzene 000608-50-4 2,4-Dinitrophenylhydrazine 000119-26-6 2,4-Dinitroresorcinol 000519-44-8 2,5-dimethyl-2,5-diydroperoxy hexane 2-Nitro-2-methylpropanol nitrate 024884-69-3 3,5-Dinitrosalicylic acid 000609-99-4 Not 3-Azido-1,2-propylene glycol dinitrate -
Pharmaceutical Appendix to the Tariff Schedule 2
Harmonized Tariff Schedule of the United States (2007) (Rev. 2) Annotated for Statistical Reporting Purposes PHARMACEUTICAL APPENDIX TO THE HARMONIZED TARIFF SCHEDULE Harmonized Tariff Schedule of the United States (2007) (Rev. 2) Annotated for Statistical Reporting Purposes PHARMACEUTICAL APPENDIX TO THE TARIFF SCHEDULE 2 Table 1. This table enumerates products described by International Non-proprietary Names (INN) which shall be entered free of duty under general note 13 to the tariff schedule. The Chemical Abstracts Service (CAS) registry numbers also set forth in this table are included to assist in the identification of the products concerned. For purposes of the tariff schedule, any references to a product enumerated in this table includes such product by whatever name known. ABACAVIR 136470-78-5 ACIDUM LIDADRONICUM 63132-38-7 ABAFUNGIN 129639-79-8 ACIDUM SALCAPROZICUM 183990-46-7 ABAMECTIN 65195-55-3 ACIDUM SALCLOBUZICUM 387825-03-8 ABANOQUIL 90402-40-7 ACIFRAN 72420-38-3 ABAPERIDONUM 183849-43-6 ACIPIMOX 51037-30-0 ABARELIX 183552-38-7 ACITAZANOLAST 114607-46-4 ABATACEPTUM 332348-12-6 ACITEMATE 101197-99-3 ABCIXIMAB 143653-53-6 ACITRETIN 55079-83-9 ABECARNIL 111841-85-1 ACIVICIN 42228-92-2 ABETIMUSUM 167362-48-3 ACLANTATE 39633-62-0 ABIRATERONE 154229-19-3 ACLARUBICIN 57576-44-0 ABITESARTAN 137882-98-5 ACLATONIUM NAPADISILATE 55077-30-0 ABLUKAST 96566-25-5 ACODAZOLE 79152-85-5 ABRINEURINUM 178535-93-8 ACOLBIFENUM 182167-02-8 ABUNIDAZOLE 91017-58-2 ACONIAZIDE 13410-86-1 ACADESINE 2627-69-2 ACOTIAMIDUM 185106-16-5 ACAMPROSATE 77337-76-9 -
List of Explosive Materials Mixtures (Cap Sensitive)
64446 Federal Register / Vol. 80, No. 205 / Friday, October 23, 2015 / Notices Dated: January 15, 2015. list supersedes the List of Explosive Cyanuric triazide. Ray Sauvajot, Materials dated October 7, 2014 (Docket Cyclonite [RDX]. Associate Director, Natural Resources, No. 2014R–25T, 79 FR 60496). Cyclotetramethylenetetranitramine Stewardship and Science, Washington Office, [HMX]. Notice of the 2015 Annual List of National Park Service. Cyclotol. Explosive Materials Cyclotrimethylenetrinitramine [RDX]. Editorial Note: This document was Pursuant to 18 U.S.C. 841(d) and 27 received for publication by the Office of the D Federal Register on October 20, 2015. CFR 555.23, I hereby designate the following as explosive materials covered DATB [diaminotrinitrobenzene]. [FR Doc. 2015–26999 Filed 10–22–15; 8:45 am] under 18 U.S.C. 841(c): DDNP [diazodinitrophenol]. BILLING CODE 4312–52–P DEGDN [diethyleneglycol dinitrate]. A Detonating cord. Acetylides of heavy metals. Detonators. DEPARTMENT OF JUSTICE Aluminum containing polymeric Dimethylol dimethyl methane propellant. dinitrate composition. Bureau of Alcohol, Tobacco, Firearms, Aluminum ophorite explosive. Dinitroethyleneurea. and Explosives Amatex. Dinitroglycerine [glycerol dinitrate]. [Docket No. 2015R–23] Amatol. Dinitrophenol. Ammonal. Dinitrophenolates. Commerce in Explosives; 2015 Annual Ammonium nitrate explosive Dinitrophenyl hydrazine. List of Explosive Materials mixtures (cap sensitive). Dinitroresorcinol. * Ammonium nitrate explosive Dinitrotoluene-sodium nitrate AGENCY: Bureau of Alcohol, Tobacco, mixtures (non-cap sensitive). explosive mixtures. Firearms, and Explosives (ATF); Ammonium perchlorate having DIPAM [dipicramide; Department of Justice. particle size less than 15 microns. diaminohexanitrobiphenyl]. ACTION: Notice of list of explosive Ammonium perchlorate explosive Dipicryl sulfone. materials. mixtures (excluding ammonium Dipicrylamine. SUMMARY: Pursuant to 18 U.S.C. 841(d) perchlorate composite propellant Display fireworks. -
Modular Impulsive Green Monopropellant Propulsion System (MIMPS-G): for Cubesats in LEO and to the Moon
aerospace Article Modular Impulsive Green Monopropellant Propulsion System (MIMPS-G): For CubeSats in LEO and to the Moon Ahmed E. S. Nosseir 1,2,* , Angelo Cervone 1,* and Angelo Pasini 2,* 1 Department of Space Engineering, Faculty of Aerospace Engineering, Delft University of Technology (TU Delft), 2629 Delft, The Netherlands 2 Sede di Ingegneria Aerospaziale, Dipt. di Ingegneria Civile e Industriale, Università di Pisa (UniPi), 56122 Pisa, Italy * Correspondence: [email protected] or [email protected] (A.E.S.N.); [email protected] (A.C.); [email protected] (A.P.) Abstract: Green propellants are currently considered as enabling technology that is revolutioniz- ing the development of high-performance space propulsion, especially for small-sized spacecraft. Modern space missions, either in LEO or interplanetary, require relatively high-thrust and impulsive capabilities to provide better control on the spacecraft, and to overcome the growing challenges, particularly related to overcrowded LEOs, and to modern space application orbital maneuver require- ments. Green monopropellants are gaining momentum in the design and development of small and modular liquid propulsion systems, especially for CubeSats, due to their favorable thermophysical properties and relatively high performance when compared to gaseous propellants, and perhaps simpler management when compared to bipropellants. Accordingly, a novel high-thrust modular impulsive green monopropellant propulsion system with a micro electric pump feed cycle is pro- posed. MIMPS-G500mN is designed to be capable of delivering 0.5 N thrust and offers theoretical total impulse I from 850 to 1350 N s per 1U and >3000 N s per 2U depending on the burnt mono- Citation: Nosseir, A.E.S.; Cervone, tot A.; Pasini, A. -
Prediction of the Crystalline Densities of Aliphatic Nitrates by Quantum Chemistry Methods
Central European Journal of Energetic Materials ISSN 1733-7178; e-ISSN 2353-1843 Copyright © 2019 Sieć Badawcza Łukasiewicz – Institute of Industrial Organic Chemistry, Poland Cent. Eur. J. Energ. Mater. 2019, 16(3): 412-432; DOI 10.22211/cejem/112306 Article is available in PDF-format, in colour, at: http://www.wydawnictwa.ipo.waw.pl/cejem/Vol-16-Number3-2019/CEJEM_00978.pdf Article is available under the Creative Commons Attribution-Noncommercial-NoDerivs 3.0 license CC BY-NC-ND 3.0. Research paper Prediction of the Crystalline Densities of Aliphatic Nitrates by Quantum Chemistry Methods Guixiang Wang,* Yimin Xu, Chuang Xue, Zhiyuan Ding, Yan Liu, Hui Liu, Xuedong Gong** Computation Institute for Molecules and Materials, Department of Chemistry, Nanjing University of Science and Technology, Nanjing 210094, China E-mails: * [email protected]; ** [email protected] Abstract: Crystal density is a basic and important parameter for predicting the detonation performance of explosives, and nitrate esters are a type of compound widely used in the military context. In this study, thirty-one aliphatic nitrates were investigated using the density functional theory method (B3LYP) in combination with six basis sets (3-21G, 6-31G, 6-31G*, 6-31G**, 6-311G* and 6-31+G**) and the semiempirical molecular orbital method (PM3). Based on the geometric optimizations at various theoretical levels, the molecular volumes and densities were calculated. Compared with the available experimental data, the densities calculated by various methods are all overestimated, and the errors of the PM3 and B3LYP/3-21G methods are larger than those of other methods. Considering the results and the computer resources required by the calculations, the B3LYP/6-31G* method is recommended for predicting the crystalline densities of organic nitrates using a fitting equation.