Thermal Decomposition of Epoxy Resin Contained in Printed Circuit Boards from Reactive Dynamics Using the ReaxFF Reactive Force Field
نویسندگان
چکیده
منابع مشابه
Thermal decomposition of hydrazines from reactive dynamics using the ReaxFF reactive force field.
We report reactive dynamics (RD) studies on: the decomposition of bulk hydrazine (N(2)H(4)); the decomposition of bulk monomethyl-hydrazine (CH(3)N(2)H(3)), hereafter referred to simply as methyl-hydrazine; the decomposition of hydrazine in the presence of hydrogen peroxide (H(2)O(2)); and decomposition hydrazine on catalytic surfaces Pt[100] and Pt[111] under various conditions. These studies ...
متن کاملMolecular Dynamics Simulation of Al/NiO Thermite Reaction Using Reactive Force Field (ReaxFF)
In this work, the thermal reaction of aluminum (Al) and nickel oxide (NiO) was investigated by molecular dynamics simulations. Some effective features of reaction such as reaction temperature, the reaction mechanism, and diffusion rate of oxygen into aluminum structure were studied. ReaxFF force field was performed to study the Al/NiO thermite reaction behavior at five different temperatures (5...
متن کاملSimulations on the thermal decomposition of a poly(dimethylsiloxane) polymer using the ReaxFF reactive force field.
To investigate the failure of the poly(dimethylsiloxane) polymer (PDMS) at high temperatures and pressures and in the presence of various additives, we have expanded the ReaxFF reactive force field to describe carbon-silicon systems. From molecular dynamics (MD) simulations using ReaxFF we find initial thermal decomposition products of PDMS to be CH(3) radical and the associated polymer radical...
متن کاملThermal decomposition of condensed-phase nitromethane from molecular dynamics from ReaxFF reactive dynamics.
We studied the thermal decomposition and subsequent reaction of the energetic material nitromethane (CH(3)NO(2)) using molecular dynamics with ReaxFF, a first principles-based reactive force field. We characterize the chemistry of liquid and solid nitromethane at high temperatures (2000-3000 K) and density 1.97 g/cm(3) for times up to 200 ps. At T = 3000 K the first reaction in the decompositio...
متن کاملReaxFF: A Reactive Force Field for Hydrocarbons
Adri C. T. van Duin,†,| Siddharth Dasgupta,‡ Francois Lorant,§ and William A. Goddard III*,‡ Department of Fossil Fuels and EnVironmental Geochemistry, Drummond Building, UniVersity of Newcastle, Newcastle upon Tyne NE1 7RU, United Kingdom, Materials and Process Simulation Center, Beckman Institute (139-74), DiVision of Chemistry and Chemical Engineering, California Institute of Technology, Pas...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Chimica Sinica
سال: 2012
ISSN: 0567-7351
DOI: 10.6023/a12070451