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Determination of Thermodynamics Functions of the Reaction between Ethylene with Armchair Carbon Nanotube at Different Temperatures
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نویسنده
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Abedini Khorramie Saeid ,Moradi Shahram ,Eftekharjoo Samira ,Miryousefi Somayeh
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منبع
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پژوهش هاي كاربردي در شيمي (jarc) - 1387 - دوره : 2 - شماره : 7 - صفحه:61 -64
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چکیده
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T he thermodynamics functions related to the reaction between ethylene (c2h4)and open ended carbon nanotube with armchair carbon nanotube (5,5)geometry were investigated by semi empirical method with examination ofenergies of reactant (gsl), product (gs2) and the structure of transition state (ts) atam1 level. the enthalpy, gibbs free energy, entropy and total energy are calculatedat 0,292,295,298, 303 and 308 k, under constant pressure (latm).
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کلیدواژه
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Thermodynamics Functions ,Armchair Carbon Nanotube ,Ethylene
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آدرس
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islamic azad university, ایران, islamic azad university, ایران, islamic azad university, ایران, islamic azad university, ایران
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پست الکترونیکی
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rfsm2001@yahoo.com
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Authors
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