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solvation behavior of gold nanorods in water: a monte carlo simulation study
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نویسنده
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esfandiar h. ,hashemianzadeh s. m. ,saffary s. ,ketabi s.
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منبع
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iranian journal of materials science and engineering - 2018 - دوره : 15 - شماره : 3 - صفحه:72 -79
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چکیده
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Gold nanoparticles have become common in many applications of biotechnology due to their specific properties. shape and size are important attributes which affect their solubility in water. in this study, the outcomes of monte carlo simulation for the solvation of gold nanorods in aqueous solution with the different radii, in terms of solvation free energy, are discussed. simulation results show a negative solvation free energy for all the samples with radii of 4 to 9a. the results show that the absolute values of solvation free energy for gold nanorods with smaller radius are larger, which indicate the dependency between the gold nanorods solvation and their radius.
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کلیدواژه
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gold nanorod ,monte carlo simulation ,solvation ,free energy
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آدرس
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iran university of science and technology, school of metallurgy and materials engineering, iran, iran university of science and technology, molecular simulation research laboratory, department of chemistry, iran, iran university of science and technology, school of metallurgy and materials engineering, iran, islamic azad university, east tehran branch, department of chemistry, iran
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Authors
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