Match!
Neeraj Kumbhakarna
Indian Institute of Technology Bombay
9Publications
5H-index
46Citations
Publications 9
Newest
#1Anand Sankaranarayanan (IITB: Indian Institute of Technology Bombay)
#2Sohan Lal (IITB: Indian Institute of Technology Bombay)H-Index: 3
Last.Neeraj Kumbhakarna (IITB: Indian Institute of Technology Bombay)H-Index: 5
view all 6 authors...
Abstract Droplet combustion behaviour of an RP-1 surrogate fuel (RP-1-s), its constituents, and two novel energetic fuels – 1,3-bishomocubane dimer (BHCD) and bis(nitratomethyl)-1-3-bishomocubane (DNMBHC) was investigated. The novel energetic fuels, envisioned as potential fuels in rocket propulsion were observed to be completely miscible with RP-1-s. Experiments were also conducted on a 10% w/w mixture of BHCD in RP-1-s (BHCD10) and a 10% w/w mixture of DNMBHC in RP-1-s (DNMBHC10). Tests were c...
#1Bimal Shyamala (IITB: Indian Institute of Technology Bombay)
#2Sohan Lal (IITB: Indian Institute of Technology Bombay)H-Index: 3
Last.Neeraj Kumbhakarna (IITB: Indian Institute of Technology Bombay)H-Index: 5
view all 5 authors...
Abstract This work focuses on the development of a detailed chemical kinetics mechanism for the decomposition of the high energy density compound cubane. Quantum mechanics based ab initio calculations have been carried out to elucidate the various chemical pathways that lead to the formation of previously known product species from cubane. Optimised structures of ground states and transition states appearing in the chemical reaction scheme were obtained by using various levels of theory. Minimum...
#1Anand Sankaranarayanan (IITB: Indian Institute of Technology Bombay)
#2Lovely Mallick (IITB: Indian Institute of Technology Bombay)H-Index: 3
Last.Neeraj Kumbhakarna (IITB: Indian Institute of Technology Bombay)H-Index: 5
view all 3 authors...
The thermal decomposition behaviour of guanidinium nitrate (GN), an energetic material, was analysed using a combined experimental and computational approach. Simultaneous thermogravimetric analysis, Fourier transform infrared spectroscopy and mass spectrometry (TG-FTIR-MS) experiments were carried out at three different heating rates under closed and open crucible conditions. A two-stage decomposition process was observed, and the major gases evolved were found to be NH3, N2O, NO2 and CO2. Quan...
#1Hardik Panchal (IITB: Indian Institute of Technology Bombay)
#2Neeraj Kumbhakarna (IITB: Indian Institute of Technology Bombay)H-Index: 5
Abstract The objective of this work is to numerically validate a previously formulated detailed chemical kinetics mechanism for the liquid phase decomposition of guanidinium azotetrazolate (GzT). GzT is of keen interest to researchers because of its energetic properties therefore it is critical to thoroughly understand the chemistry involved in its decomposition. The present work is a step in this direction. The reaction mechanism used in the present model, which consists of 76 species and 107 e...
#1Lovely Mallick (IITB: Indian Institute of Technology Bombay)H-Index: 3
#2Sohan Lal (IITB: Indian Institute of Technology Bombay)H-Index: 3
Last.Neeraj Kumbhakarna (IITB: Indian Institute of Technology Bombay)H-Index: 5
view all 6 authors...
Compounds consisting of a carbon-based cage have a highly strained molecular structure and have become the subject of interest in recent years because they possess high heat of formation and so are highly energetic. In the present work, ab initio molecular modelling calculations have been used for analysing 28 carbon-cage structures with the aim of identifying the best candidates for synthesis particularly for use in propellant compositions. Density functional theory (B3LYP) was employed for the...
#1Sohan Lal (IITB: Indian Institute of Technology Bombay)H-Index: 3
#2Lovely Mallick (IITB: Indian Institute of Technology Bombay)H-Index: 3
Last.Irishi N. N. Namboothiri (IITB: Indian Institute of Technology Bombay)H-Index: 29
view all 8 authors...
Synthesis, thermodynamic characterization, and energetic properties of three novel high-nitrogen bishomocubane-based compounds DADMBHC, DTetzBHC and DPTrizDMBHC are reported here. These compounds have higher heats of formation (HoFs) and higher energy densities as compared to traditional hydrocarbon fuels. Densities, gas phase HoF and their optimized molecular structure geometries were calculated with various levels of theory. In general, the calculated HoFs of these compounds turn out to be ext...
#1Neeraj Kumbhakarna (PSU: Pennsylvania State University)H-Index: 5
#2Kaushal J. Shah (PSU: Pennsylvania State University)H-Index: 1
Last.Stefan T. Thynell (PSU: Pennsylvania State University)H-Index: 14
view all 4 authors...
Abstract The objective of this work is to analyze the decomposition of guanidinium azotetrazolate (GzT) in the liquid phase by using a combined experimental and computational approach. The experimental part involves the use of Fourier transform infrared (FTIR) spectroscopy to acquire the spectral transmittance of the evolved gas-phase species from rapid thermolysis, as well as to acquire spectral transmittance of the condensate and residue formed from the decomposition. Time-of-flight mass spect...
#1Neeraj Kumbhakarna (PSU: Pennsylvania State University)H-Index: 5
#2Stefan T. Thynell (PSU: Pennsylvania State University)H-Index: 14
Abstract The objective of this work is to formulate a detailed reaction mechanism of the decomposition of guanidinium 5-amino tetrazolate (GA) in the liquid phase using a combined experimental and computational approach. The experimental information comes from data published in the literature. The computational approach is based on using quantum mechanics for identifying species and determining the kinetic rates, resulting in 55 species and 85 elementary reactions. In these ab initio techniques,...
#1Neeraj Kumbhakarna (PSU: Pennsylvania State University)H-Index: 5
#2Stefan T. Thynell (PSU: Pennsylvania State University)H-Index: 14
Last.Ping Lin (PSU: Pennsylvania State University)H-Index: 2
view all 4 authors...
A detailed model of steady-state combustion of a pseudo-propellant containing cyclotrimethylene trinitramine (RDX) and triaminoguanidinium azotetrazolate (TAGzT) is presented. The physicochemical processes occurring within the foam layer, comprised of a liquid and gas bubbles, and a gas-phase region above the burning surface are considered. The chemical kinetics is represented by a global thermal decomposition mechanism within the liquid by considering 18 species and eight chemical reactions. Th...
#1Neeraj KumbhakarnaH-Index: 5
Last.Stefan T. ThynellH-Index: 14
view all 3 authors...
A detailed model of steady -state combustion of a pseu do -propellant containing cyclotrimethylenetrinitramine and triaminoguanidinium azotetrazolate is presented. The physicochemical processes occurring within the foam layer , comprised of a liquid and gas bubbles, and a gas -phase region above the burning surf ace are considered. The chemical kinetics is represented by a global thermal decomposition mechanism within the liquid by considering 18 species and 8 chemical reactions. The reactions g...
1