The Experts below are selected from a list of 18 Experts worldwide ranked by ideXlab platform
Qi Yang - One of the best experts on this subject based on the ideXlab platform.
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a low sensitivity energetic salt based on Furazan Derivative and melamine synthesis structure density functional theory calculation and physicochemical property
Journal of Chemical & Engineering Data, 2016Co-Authors: Xin Li, Bozhou Wang, Sheng Zhang, Haipeng Wu, Qi YangAbstract:Reaction of 4,4′-oxybis[3,3′-(1H-5-tetrazol)]Furazan (H2BTFOF, 1) with melamine (MA) leads to a energetic salt (MA+)·(HBTFOF¯)·H2O (2). The structure of 2 was characterized by single-crystal X-ray analysis. Thermogravimetry analysis indicates that the main framework of 2 possesses good thermal stability up to 501 K. Optimized structure, total energy and the frontier orbital energy of 2 were investigated in detail. As to the thermodecomposition reaction of the main framework for 2, the nonisothermal thermokinetics parameters were obtained by Kissinger’s and Ozawa’s methods. The standard molar enthalpy of formation of 2 was calculated as being (518.55 ± 6.30) kJ·mol–1 from the constant-volume combustion energy determined by a rotating-bomb microcalorimeter. Importantly, 2 has a very low sensitivity to friction (>360 N) and impact (38 J), which makes it of interest in new environmentally friendly, insensitive energetic materials.
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A Low Sensitivity Energetic Salt Based on Furazan Derivative and Melamine: Synthesis, Structure, Density Functional Theory Calculation, and Physicochemical Property
2016Co-Authors: Xiangyu Liu, Qi Yang, Sheng Zhang, Bozhou Wang, Gang XieAbstract:Reaction of 4,4′-oxybis[3,3′-(1H-5-tetrazol)]Furazan (H2BTFOF, 1) with melamine (MA) leads to a energetic salt (MA+)·(HBTFOF¯)·H2O (2). The structure of 2 was characterized by single-crystal X-ray analysis. Thermogravimetry analysis indicates that the main framework of 2 possesses good thermal stability up to 501 K. Optimized structure, total energy and the frontier orbital energy of 2 were investigated in detail. As to the thermodecomposition reaction of the main framework for 2, the nonisothermal thermokinetics parameters were obtained by Kissinger’s and Ozawa’s methods. The standard molar enthalpy of formation of 2 was calculated as being (518.55 ± 6.30) kJ·mol–1 from the constant-volume combustion energy determined by a rotating-bomb microcalorimeter. Importantly, 2 has a very low sensitivity to friction (>360 N) and impact (38 J), which makes it of interest in new environmentally friendly, insensitive energetic materials
Xin Li - One of the best experts on this subject based on the ideXlab platform.
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a low sensitivity energetic salt based on Furazan Derivative and melamine synthesis structure density functional theory calculation and physicochemical property
Journal of Chemical & Engineering Data, 2016Co-Authors: Xin Li, Bozhou Wang, Sheng Zhang, Haipeng Wu, Qi YangAbstract:Reaction of 4,4′-oxybis[3,3′-(1H-5-tetrazol)]Furazan (H2BTFOF, 1) with melamine (MA) leads to a energetic salt (MA+)·(HBTFOF¯)·H2O (2). The structure of 2 was characterized by single-crystal X-ray analysis. Thermogravimetry analysis indicates that the main framework of 2 possesses good thermal stability up to 501 K. Optimized structure, total energy and the frontier orbital energy of 2 were investigated in detail. As to the thermodecomposition reaction of the main framework for 2, the nonisothermal thermokinetics parameters were obtained by Kissinger’s and Ozawa’s methods. The standard molar enthalpy of formation of 2 was calculated as being (518.55 ± 6.30) kJ·mol–1 from the constant-volume combustion energy determined by a rotating-bomb microcalorimeter. Importantly, 2 has a very low sensitivity to friction (>360 N) and impact (38 J), which makes it of interest in new environmentally friendly, insensitive energetic materials.
Bozhou Wang - One of the best experts on this subject based on the ideXlab platform.
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a low sensitivity energetic salt based on Furazan Derivative and melamine synthesis structure density functional theory calculation and physicochemical property
Journal of Chemical & Engineering Data, 2016Co-Authors: Xin Li, Bozhou Wang, Sheng Zhang, Haipeng Wu, Qi YangAbstract:Reaction of 4,4′-oxybis[3,3′-(1H-5-tetrazol)]Furazan (H2BTFOF, 1) with melamine (MA) leads to a energetic salt (MA+)·(HBTFOF¯)·H2O (2). The structure of 2 was characterized by single-crystal X-ray analysis. Thermogravimetry analysis indicates that the main framework of 2 possesses good thermal stability up to 501 K. Optimized structure, total energy and the frontier orbital energy of 2 were investigated in detail. As to the thermodecomposition reaction of the main framework for 2, the nonisothermal thermokinetics parameters were obtained by Kissinger’s and Ozawa’s methods. The standard molar enthalpy of formation of 2 was calculated as being (518.55 ± 6.30) kJ·mol–1 from the constant-volume combustion energy determined by a rotating-bomb microcalorimeter. Importantly, 2 has a very low sensitivity to friction (>360 N) and impact (38 J), which makes it of interest in new environmentally friendly, insensitive energetic materials.
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A Low Sensitivity Energetic Salt Based on Furazan Derivative and Melamine: Synthesis, Structure, Density Functional Theory Calculation, and Physicochemical Property
2016Co-Authors: Xiangyu Liu, Qi Yang, Sheng Zhang, Bozhou Wang, Gang XieAbstract:Reaction of 4,4′-oxybis[3,3′-(1H-5-tetrazol)]Furazan (H2BTFOF, 1) with melamine (MA) leads to a energetic salt (MA+)·(HBTFOF¯)·H2O (2). The structure of 2 was characterized by single-crystal X-ray analysis. Thermogravimetry analysis indicates that the main framework of 2 possesses good thermal stability up to 501 K. Optimized structure, total energy and the frontier orbital energy of 2 were investigated in detail. As to the thermodecomposition reaction of the main framework for 2, the nonisothermal thermokinetics parameters were obtained by Kissinger’s and Ozawa’s methods. The standard molar enthalpy of formation of 2 was calculated as being (518.55 ± 6.30) kJ·mol–1 from the constant-volume combustion energy determined by a rotating-bomb microcalorimeter. Importantly, 2 has a very low sensitivity to friction (>360 N) and impact (38 J), which makes it of interest in new environmentally friendly, insensitive energetic materials
Sheng Zhang - One of the best experts on this subject based on the ideXlab platform.
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a low sensitivity energetic salt based on Furazan Derivative and melamine synthesis structure density functional theory calculation and physicochemical property
Journal of Chemical & Engineering Data, 2016Co-Authors: Xin Li, Bozhou Wang, Sheng Zhang, Haipeng Wu, Qi YangAbstract:Reaction of 4,4′-oxybis[3,3′-(1H-5-tetrazol)]Furazan (H2BTFOF, 1) with melamine (MA) leads to a energetic salt (MA+)·(HBTFOF¯)·H2O (2). The structure of 2 was characterized by single-crystal X-ray analysis. Thermogravimetry analysis indicates that the main framework of 2 possesses good thermal stability up to 501 K. Optimized structure, total energy and the frontier orbital energy of 2 were investigated in detail. As to the thermodecomposition reaction of the main framework for 2, the nonisothermal thermokinetics parameters were obtained by Kissinger’s and Ozawa’s methods. The standard molar enthalpy of formation of 2 was calculated as being (518.55 ± 6.30) kJ·mol–1 from the constant-volume combustion energy determined by a rotating-bomb microcalorimeter. Importantly, 2 has a very low sensitivity to friction (>360 N) and impact (38 J), which makes it of interest in new environmentally friendly, insensitive energetic materials.
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A Low Sensitivity Energetic Salt Based on Furazan Derivative and Melamine: Synthesis, Structure, Density Functional Theory Calculation, and Physicochemical Property
2016Co-Authors: Xiangyu Liu, Qi Yang, Sheng Zhang, Bozhou Wang, Gang XieAbstract:Reaction of 4,4′-oxybis[3,3′-(1H-5-tetrazol)]Furazan (H2BTFOF, 1) with melamine (MA) leads to a energetic salt (MA+)·(HBTFOF¯)·H2O (2). The structure of 2 was characterized by single-crystal X-ray analysis. Thermogravimetry analysis indicates that the main framework of 2 possesses good thermal stability up to 501 K. Optimized structure, total energy and the frontier orbital energy of 2 were investigated in detail. As to the thermodecomposition reaction of the main framework for 2, the nonisothermal thermokinetics parameters were obtained by Kissinger’s and Ozawa’s methods. The standard molar enthalpy of formation of 2 was calculated as being (518.55 ± 6.30) kJ·mol–1 from the constant-volume combustion energy determined by a rotating-bomb microcalorimeter. Importantly, 2 has a very low sensitivity to friction (>360 N) and impact (38 J), which makes it of interest in new environmentally friendly, insensitive energetic materials
Haipeng Wu - One of the best experts on this subject based on the ideXlab platform.
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a low sensitivity energetic salt based on Furazan Derivative and melamine synthesis structure density functional theory calculation and physicochemical property
Journal of Chemical & Engineering Data, 2016Co-Authors: Xin Li, Bozhou Wang, Sheng Zhang, Haipeng Wu, Qi YangAbstract:Reaction of 4,4′-oxybis[3,3′-(1H-5-tetrazol)]Furazan (H2BTFOF, 1) with melamine (MA) leads to a energetic salt (MA+)·(HBTFOF¯)·H2O (2). The structure of 2 was characterized by single-crystal X-ray analysis. Thermogravimetry analysis indicates that the main framework of 2 possesses good thermal stability up to 501 K. Optimized structure, total energy and the frontier orbital energy of 2 were investigated in detail. As to the thermodecomposition reaction of the main framework for 2, the nonisothermal thermokinetics parameters were obtained by Kissinger’s and Ozawa’s methods. The standard molar enthalpy of formation of 2 was calculated as being (518.55 ± 6.30) kJ·mol–1 from the constant-volume combustion energy determined by a rotating-bomb microcalorimeter. Importantly, 2 has a very low sensitivity to friction (>360 N) and impact (38 J), which makes it of interest in new environmentally friendly, insensitive energetic materials.
