نتایج جستجو برای: High energy energy derivatives
تعداد نتایج: 2655937 فیلتر نتایج به سال:
In this research, HMX energy derivatives with different carbon-containing fullerenes in different temperature conditions were studied using density functional theory. For this purpose, the materials were first geometric optimized, then the thermodynamic parameters were calculated for all of them. Then, the process of changing the energy-dependent parameters such as specific heat capacity, entha...
a one dimensional dynamic model for a riser reactor in a fluidized bed catalytic cracking unit (fccu) for gasoil feed has been developed in two distinct conditions, one for industrial fccu and another for fccu using various frequencies of microwave energy spaced at the height of the riser reactor (fccu-mw). in addition, in order to increase the accuracy of component and bulk diffusion, instanta...
this research is about the political economy of china in central asia. in this research the political & economic interactions affected on chinas political economy in central asia are examined. chinas goal of presence in central asia including political-security, economic and energy goals is described in one part. in another part, the trade relations between china and central asian countries ar...
in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...
استفاده واقعی از روش مونت کارلو به عنوان یک ابزار تحقیقاتی، به سال های پایانی جنگ جهانی دوم بر می گردد که در جریان ساخت بمب اتمی از آن استفاده کردند و از نمونه گیری های تصادفی برای این منظور بهره بردند. با پیشرفته تر شدن ابزارهای محاسباتی و ظهور کامپیوترهای پر- سرعت،استفاده از این روش در علوم مختلف به شدت گسترش یافت. در این پایان نامه، ابتدا به معرفی و تاریخچه روش مونت کارلو پرداخته و سپس با ا...
In this study, high energy energy derivatives of TEX with different carbon-containing fullerenes at different temperature conditions were studied using density functional theory. For this purpose, the materials were first geometric optimized, then the thermodynamic parameters were calculated for all of them. Then, the process of changing the energy-dependent parameters such as specific heat cap...
the quest for power has formed much of the world history especially in 20th and 21st centuries. oil (energy) particularly after industrial revolution has been a tool for conquest and power and has been transformed to a geopolitical issue. from a geopolitical point of view this has been the case for the last two centuries in central asia and caucasus. central asia and caucasus has always been...
on this project we try to calculated power of hydrogen on dycarbonil compound in different ways ; the first way is shoster way , for sain power of hydrogen notice the different power between central conforms on it and main conform that’s didn’t have hydrogen joint . or in other way different of energy between open and close form. second way, is average way? this is for way that studied conf...
در این تحقیق اثر الکترونگاتیوی برای استخلاف های f, cl, no2 , cf3 برروی آروماتیسیته مولکول بنزن مورد مطالعه قرار گرفته است. nics, ase, homa, homo-lumo energy gapsشاخص هایی هستند که برای نمایش تاثیر استخلاف ها به کار برده می¬شوند.علاوه بر این الکترون های انتقالی توسط پیوند سیگما وپای نیز برای همه مولکول های استخلاف شده مورد نظر محاسبه شده¬اند.نتایج بدست آمده برای این روش ها با یکدیگر متفاوت است.ب...
abstract part one: the electrode oxidation potentials of a series of eighteen n-hydroxy compounds in aqueous solution were calculated based on a proper thermodynamic cycle. the dft method at the level of b3lyp-6-31g(d,p) was used to calculate the gas-phase free energy differences ,and the polarizable continuum model (pcm) was applied to describe the solvent and its interaction with n-hydroxy ...
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