Kinetic and thermodynamic modelling of thermal decomposition of bitumen under high pressure enhanced with simulated annealing and artificial intelligence

2021 ◽  
Author(s):  
Olalekan Alade ◽  
Lei Gang ◽  
Zeeshan Tariq ◽  
Mohamed Mahmoud ◽  
Dhafer Al Shehri ◽  
...  
Keyword(s):  
Artificial Intelligence ◽  
Thermal Decomposition ◽  
High Pressure ◽  
Simulated Annealing ◽  
Thermodynamic Modelling

Thermodynamic Modelling of Ultra-high Vacuum Thermal Decomposition for Lunar Resource Processing

2021 ◽  
pp. 105272
Author(s):  
Matthew G. Shaw ◽  
Geoffrey A. Brooks ◽  
M. Akbar Rhamdhani ◽  
Alan R. Duffy ◽  
Mark I. Pownceby
Keyword(s):  
Thermal Decomposition ◽  
High Vacuum ◽  
Thermodynamic Modelling ◽  
Ultra High Vacuum

THE THERMAL DECOMPOSITION OF HEXAFLUOROAZOMETHANE

1962 ◽  
Vol 40 (5) ◽  
pp. 930-934 ◽  
Author(s):  
Elizabeth Leventhal ◽  
Charles R. Simonds ◽  
Colin Steel
Keyword(s):  
Thermal Decomposition ◽  
High Pressure ◽  
Rate Constant ◽  
Static System ◽  
Homogeneous Reaction

The pyrolysis of hexafluoroazomethane has been studied in a static system between 0.3 mm and 73 mm and 572 °K and 634 °K by measuring the rate of nitrogen formation. The rate constant of the high-pressure homogeneous reaction is given by k = 1016.17±0.15 exp (−55,200 ± 400/RT) sec−1

Equation of state for the detonation products of energetic materials

2021 ◽  
Vol 11 (8) ◽  
pp. 1269-1287
Author(s):  
Xiangyu Huo ◽  
Li Zhang ◽  
Mingli Yang
Keyword(s):  
Artificial Intelligence ◽  
High Pressure ◽  
Computer Simulations ◽  
Energetic Materials ◽  
Equations Of State ◽  
Experiment Study ◽  
Detonation Products ◽  
Main Approach ◽  
Practical Applications ◽  
Integrated Theory

Energetic materials (EMs) are one of the necessities in many military and civilian applications. Measuring the thermodynamic behaviors of detonation products of EMs at high temperature and high pressure, their equations of state (EOSs) not only serve as a basis in the design of novel materials, but also provide valuable information for their practical applications. The EOS study has a long history, but keeps moving all the time. Various EMs have been developed, the EOS of detonation products provides abundant information in the thermochemistry, hydromechanics and detonation physics, which in turn feedbacks the development of novel EMs and their EOSs. With the development of experimental techniques and computer simulations, many EOSs have been proposed for various explosives in recent years. While experiments keep their fundamental roles, integrated theory-experiment study has become the main approach to the EOS establishment for novel EMs. Moreover, computer simulations based on interatomic and/or intermolecular interaction will have great potential in the future when big data and artificial intelligence are introduced into the field.

High-Resolution Electron Microscopy Studies of Faults and Intergrowth in Nb3O7F

1990 ◽  
Vol 183 ◽  
Author(s):  
Lotta permér ◽  
Monica Lundberg
Keyword(s):  
Electron Microscopy ◽  
Thermal Decomposition ◽  
High Pressure ◽  
High Resolution Electron Microscopy ◽  
Two Dimensions ◽  
Resolution Electron ◽  
Shear Type ◽  
Pressure Form ◽  
The Common ◽  
Shear Planes

AbstractHREM studies of the low-pressure form of Nb3O7F, obtained by thermal decomposition of NbO2F or by reacting stoichiometric amounts of NbO2F and Nb2O5, confirmed that the crystals are built up of a shear-type structure in which slabs of ReO3 type, infinite in two dimensions and three octahedra wide, separate the shear planes. Most of the crystals were well-ordered, although faults could occasionally be detected. However, some crystals were found to be intergrown with a structure closely related to the high-pressure form of Nb3O7F. The latter structure is composed of wavy rows of edge-sharing NbX7 pentagonal bipyramids, joined to each other by NbX6 octahedra. The connection between the two atomic arrangements can be understood in terms of the common c-axes and a slight distortion of the polyhedra along the boundary.

High-Pressure Thermal Decomposition of Tetrahydrotricyclopentadiene (THTCPD) and Binary High-Density Hydrocarbon Fuels of JP-10/THTCPD in a Tubular Flowing Reactor

2017 ◽  
Vol 31 (8) ◽  
pp. 8023-8035 ◽  
Author(s):  
Xueke Jia ◽  
Baoman Guo ◽  
Baitang Jin ◽  
Xiangwen Zhang ◽  
Kai Jing ◽  
...  
Keyword(s):  
Thermal Decomposition ◽  
High Pressure ◽  
High Density ◽  
Hydrocarbon Fuels

scholarly journals Deeply subducted continental fragments – Part 1: Fracturing, dissolution–precipitation, and diffusion processes recorded by garnet textures of the central Sesia Zone (western Italian Alps)

Solid Earth ◽  
2018 ◽  
Vol 9 (1) ◽  
pp. 167-189 ◽  
Author(s):  
Francesco Giuntoli ◽  
Pierre Lanari ◽  
Martin Engi
Keyword(s):  
High Pressure ◽  
Diffusion Processes ◽  
Shear Zones ◽  
Granulite Facies ◽  
Thermodynamic Modelling ◽  
Italian Alps ◽  
Eclogite Facies ◽  
Compositional Patterns ◽  
And Diffusion ◽  
Insight Into

Abstract. Contiguous continental high-pressure terranes in orogens offer insight into deep recycling and transformation processes that occur in subduction zones. These remain poorly understood, and currently debated ideas need testing. The approach we chose is to investigate, in detail, the record in suitable rock samples that preserve textures and robust mineral assemblages that withstood overprinting during exhumation. We document complex garnet zoning in eclogitic mica schists from the Sesia Zone (western Italian Alps). These retain evidence of two orogenic cycles and provide detailed insight into resorption, growth, and diffusion processes induced by fluid pulses in high-pressure conditions. We analysed local textures and garnet compositional patterns, which turned out remarkably complex. By combining these with thermodynamic modelling, we could unravel and quantify repeated fluid–rock interaction processes. Garnet shows low-Ca porphyroclastic cores that were stable under (Permian) granulite facies conditions. The series of rims that surround these cores provide insight into the subsequent evolution: the first garnet rim that surrounds the pre-Alpine granulite facies core in one sample indicates that pre-Alpine amphibolite facies metamorphism followed the granulite facies event. In all samples documented, cores show lobate edges and preserve inner fractures, which are sealed by high-Ca garnet that reflects high-pressure Alpine conditions. These observations suggest that during early stages of subduction, before hydration of the granulites, brittle failure of garnet occurred, indicating high strain rates that may be due to seismic failure. Several Alpine rims show conspicuous textures indicative of interaction with hydrous fluid: (a) resorption-dominated textures produced lobate edges, at the expense of the outer part of the granulite core; (b) peninsulas and atoll garnet are the result of replacement reactions; and (c) spatially limited resorption and enhanced transport of elements due to the fluid phase are evident along brittle fractures and in their immediate proximity. Thermodynamic modelling shows that all of these Alpine rims formed under eclogite facies conditions. Structurally controlled samples allow these fluid–garnet interaction phenomena to be traced across a portion of the Sesia Zone, with a general decrease in fluid–garnet interaction observed towards the external, structurally lower parts of the terrane. Replacement of the Permian HT assemblages by hydrate-rich Alpine assemblages can reach nearly 100 % of the rock volume. Since we found no clear relationship between discrete deformation structures (e.g. shear zones) observed in the field and the fluid pulses that triggered the transformation to eclogite facies assemblages, we conclude that disperse fluid flow was responsible for the hydration.

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