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Volumn 169, Issue 1-3, 2009, Pages 158-169

A reliable simple method to estimate density of nitroaliphatics, nitrate esters and nitramines

Author keywords

Correlation; Crystal density; Nitramine; Nitrate ester; Nitroaliphatic

Indexed keywords

CORRELATION; CRYSTAL DENSITY; NITRAMINE; NITRATE ESTER; NITROALIPHATIC;

EID: 67649803155     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2009.03.091     Document Type: Article
Times cited : (35)

References (30)
  • 1
    • 33947651444 scopus 로고
    • Chemistry of detonations. I. A simple method for calculating detonation properties of C-H-N-O explosives
    • Kamlet M.J., and Jacobs S.J. Chemistry of detonations. I. A simple method for calculating detonation properties of C-H-N-O explosives. J. Chem. Phys. 48 (1968) 23-35
    • (1968) J. Chem. Phys. , vol.48 , pp. 23-35
    • Kamlet, M.J.1    Jacobs, S.J.2
  • 3
    • 0035370878 scopus 로고    scopus 로고
    • Important aspects of behaviour of organic energetic compounds: a review
    • Sikder A.K., Maddala G., Agrawal J.P., and Singh H. Important aspects of behaviour of organic energetic compounds: a review. J. Hazard. Mater. A 84 (2001) 1-26
    • (2001) J. Hazard. Mater. A , vol.84 , pp. 1-26
    • Sikder, A.K.1    Maddala, G.2    Agrawal, J.P.3    Singh, H.4
  • 4
    • 54049153919 scopus 로고    scopus 로고
    • A simple theoretical prediction of detonation velocities of non-ideal explosives only from elemental composition
    • Warey P.B. (Ed), Nova Science Publishers, Inc. (Chapter 9)
    • Keshavarz M.H. A simple theoretical prediction of detonation velocities of non-ideal explosives only from elemental composition. In: Warey P.B. (Ed). New Research on Hazardous Materials (2007), Nova Science Publishers, Inc. (Chapter 9)
    • (2007) New Research on Hazardous Materials
    • Keshavarz, M.H.1
  • 5
    • 0035920290 scopus 로고    scopus 로고
    • Holographic QSAR models for estimating densities of energetic materials
    • Cho S.G., Goh E.M., and Kim J.K. Holographic QSAR models for estimating densities of energetic materials. Bull. Kor. Chem. Soc. 22 (2001) 775-778
    • (2001) Bull. Kor. Chem. Soc. , vol.22 , pp. 775-778
    • Cho, S.G.1    Goh, E.M.2    Kim, J.K.3
  • 6
    • 34147110462 scopus 로고    scopus 로고
    • Predictions of densities of acyclic and cyclic nitramines, nitrate esters and nitroaliphatic compounds for evaluation of their detonation performance
    • Keshavarz M.H. Predictions of densities of acyclic and cyclic nitramines, nitrate esters and nitroaliphatic compounds for evaluation of their detonation performance. J. Hazard. Mater. 143 (2007) 437-442
    • (2007) J. Hazard. Mater. , vol.143 , pp. 437-442
    • Keshavarz, M.H.1
  • 7
    • 0018455567 scopus 로고
    • Density estimation for explosives and related compounds using the group additivity approach
    • Tarver C.M. Density estimation for explosives and related compounds using the group additivity approach. J. Chem. Eng. Data 24 (1979) 136-145
    • (1979) J. Chem. Eng. Data , vol.24 , pp. 136-145
    • Tarver, C.M.1
  • 8
    • 54949121780 scopus 로고    scopus 로고
    • Updated atom/functional group and atom_code volume additivity parameters for the calculation of crystal densities of single molecules, organic salts, and multi-fragment materials containing, H, C, B, N, O, F, S, P, Cl, Br and I
    • Ammon H.L. Updated atom/functional group and atom_code volume additivity parameters for the calculation of crystal densities of single molecules, organic salts, and multi-fragment materials containing, H, C, B, N, O, F, S, P, Cl, Br and I. Propell. Explos. Pyrotech. 33 (2008) 92-102
    • (2008) Propell. Explos. Pyrotech. , vol.33 , pp. 92-102
    • Ammon, H.L.1
  • 9
    • 0034624420 scopus 로고    scopus 로고
    • Crystal structure prediction by global optimization as a tool for evaluating potentials; role of the dipole moment correction term in successful predictions
    • Pillardy J., Wawak R., Arnautova Y., Czaplewski C., and Scheraga H.A. Crystal structure prediction by global optimization as a tool for evaluating potentials; role of the dipole moment correction term in successful predictions. J. Am. Chem. Soc. 122 (2000) 907-921
    • (2000) J. Am. Chem. Soc. , vol.122 , pp. 907-921
    • Pillardy, J.1    Wawak, R.2    Arnautova, Y.3    Czaplewski, C.4    Scheraga, H.A.5
  • 10
    • 42749106784 scopus 로고    scopus 로고
    • Systematic prediction of crystal structures: an application to sp(3)-hybridized carbon polymorphs
    • Strong R.T., Pickard C.J., Milman V., Thimm G., and Winkler B. Systematic prediction of crystal structures: an application to sp(3)-hybridized carbon polymorphs. Phys. Rev. B 70 (2004) 045101
    • (2004) Phys. Rev. B , vol.70 , pp. 045101
    • Strong, R.T.1    Pickard, C.J.2    Milman, V.3    Thimm, G.4    Winkler, B.5
  • 11
    • 0006531063 scopus 로고    scopus 로고
    • Molecular volumes and densities of liquids and solids by molecular mechanics-estimation and analysis
    • Piacenza G., Legsaï G., Blaive B., and Gallo R. Molecular volumes and densities of liquids and solids by molecular mechanics-estimation and analysis. J. Phys. Org. Chem. 9 (1998) 427-432
    • (1998) J. Phys. Org. Chem. , vol.9 , pp. 427-432
    • Piacenza, G.1    Legsaï, G.2    Blaive, B.3    Gallo, R.4
  • 13
    • 9944242343 scopus 로고    scopus 로고
    • Assessing a generalized CHNO intermolecular potential through ab initio crystal structure prediction
    • Rice B.M., and Sorescu D.C. Assessing a generalized CHNO intermolecular potential through ab initio crystal structure prediction. J. Phys. Chem. B 108 (2004) 17730-17739
    • (2004) J. Phys. Chem. B , vol.108 , pp. 17730-17739
    • Rice, B.M.1    Sorescu, D.C.2
  • 14
    • 47149105849 scopus 로고    scopus 로고
    • Prediction of densities for solid energetic molecules with molecular surface electrostatic potentials
    • published online in Wiley InterScience (www.interscience.wiley.com)
    • Kim C.K., Cho S.G., Kim C.K., Park H., Zhang H., and Lee H.W. Prediction of densities for solid energetic molecules with molecular surface electrostatic potentials. J. Comput. Chem. (2008). http://www.interscience.wiley.com/ published online in Wiley InterScience (www.interscience.wiley.com)
    • (2008) J. Comput. Chem.
    • Kim, C.K.1    Cho, S.G.2    Kim, C.K.3    Park, H.4    Zhang, H.5    Lee, H.W.6
  • 15
    • 0002163968 scopus 로고
    • Additive physcial properties. 11. Molar volume as an additive property
    • Exner O. Additive physcial properties. 11. Molar volume as an additive property. Collect. Czech. Chem. Commun. 32 (1967) 1-23
    • (1967) Collect. Czech. Chem. Commun. , vol.32 , pp. 1-23
    • Exner, O.1
  • 16
    • 64549085541 scopus 로고    scopus 로고
    • Calculation of densities of fuel and explosives from molar volume additive increments
    • NWC TP 5452, February 1973
    • A.T. Nielsen, Calculation of densities of fuel and explosives from molar volume additive increments, Naval Weapons Center Report NWC TP 5452, February 1973.
    • Naval Weapons Center Report
    • Nielsen, A.T.1
  • 17
    • 84944812512 scopus 로고
    • Prediction of density in organic crystals
    • Immirzi A., and Perini B. Prediction of density in organic crystals. Acta Crystallogr. A 33 (1977) 216-218
    • (1977) Acta Crystallogr. A , vol.33 , pp. 216-218
    • Immirzi, A.1    Perini, B.2
  • 19
    • 67649682349 scopus 로고    scopus 로고
    • J.R. Stine, Predictions of crystal densities of organic explosives by group additivity, Report LA-8920, Los Alamos National Laboratory, Los Alamos, NM, USA, 1981.
    • J.R. Stine, Predictions of crystal densities of organic explosives by group additivity, Report LA-8920, Los Alamos National Laboratory, Los Alamos, NM, USA, 1981.
  • 20
    • 2442674406 scopus 로고    scopus 로고
    • Calculation of the crystal densities of molecular salts and hydrates using additive volumes for charged groups
    • Beaucamp S., Marchet N., Mathieu D., and Agafonov V. Calculation of the crystal densities of molecular salts and hydrates using additive volumes for charged groups. Acta Crystallogr. B 59 (2003) 498-504
    • (2003) Acta Crystallogr. B , vol.59 , pp. 498-504
    • Beaucamp, S.1    Marchet, N.2    Mathieu, D.3    Agafonov, V.4
  • 21
    • 0012218974 scopus 로고    scopus 로고
    • Fast estimation of crystal densities
    • Hofmann D.W.M. Fast estimation of crystal densities. Acta Crystallogr. B 57 (2002) 489-493
    • (2002) Acta Crystallogr. B , vol.57 , pp. 489-493
    • Hofmann, D.W.M.1
  • 22
    • 0032178827 scopus 로고    scopus 로고
    • Anew atom/functional group volume additivity data base for the calculation of the crystal densities of C, H, N, O and F-containing compounds
    • Ammon H.L., and Mitchell S. Anew atom/functional group volume additivity data base for the calculation of the crystal densities of C, H, N, O and F-containing compounds. Propell. Explos. Pyrotech. 23 (1998) 260-265
    • (1998) Propell. Explos. Pyrotech. , vol.23 , pp. 260-265
    • Ammon, H.L.1    Mitchell, S.2
  • 23
    • 0042180414 scopus 로고    scopus 로고
    • New atom/functional group volume additivity data bases for the calculation of the crystal densities of C, H, N, O, F, S, P, Cl and Br-containing compounds
    • Ammon H.L. New atom/functional group volume additivity data bases for the calculation of the crystal densities of C, H, N, O, F, S, P, Cl and Br-containing compounds. Struct. Chem. 12 (2000) 205-212
    • (2000) Struct. Chem. , vol.12 , pp. 205-212
    • Ammon, H.L.1
  • 24
    • 34249817579 scopus 로고    scopus 로고
    • New method for calculating densities of nitroaromatic explosive compounds
    • Keshavarz M.H. New method for calculating densities of nitroaromatic explosive compounds. J. Hazard. Mater. 145 (2007) 263-269
    • (2007) J. Hazard. Mater. , vol.145 , pp. 263-269
    • Keshavarz, M.H.1
  • 27
    • 64549151394 scopus 로고    scopus 로고
    • Novel method for predicting densities of polynitro arene and polynitro heteroarene explosives in order to evaluate their detonation performance
    • in press
    • M.H. Keshavarz, Novel method for predicting densities of polynitro arene and polynitro heteroarene explosives in order to evaluate their detonation performance, J. Hazard. Mat., in press.
    • J. Hazard. Mat
    • Keshavarz, M.H.1
  • 30
    • 0032309342 scopus 로고    scopus 로고
    • Recent trends in high-energy materials
    • Agrawal J.P. Recent trends in high-energy materials. Prog. Energy Combust. Sci. 24 (1998) 1-30
    • (1998) Prog. Energy Combust. Sci. , vol.24 , pp. 1-30
    • Agrawal, J.P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.