en گروه شبیه سازی Materials Modeling and Simulation Research Paper Research Paper <a name="OLE_LINK16"></a><a name="OLE_LINK15">Gold nanoparticles have become common in many applications of biotechnology due to their specific properties. </a>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 9&Aring;. 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. Gold Nanorod, Monte Carlo Simulation, Solvation, Free energy. 72 79 http://ijmse.iust.ac.ir/browse.php?a_code=A-10-1623-2&slc_lang=en&sid=1 H. Esfandiar h.esfandiar65@gmail.com 1800319475328460010345 1800319475328460010345 Yes Department of Materials Engineering, Iran University of Science & Technology, Tehran, Iran S. M. Hashemianzadeh 1800319475328460010346 1800319475328460010346 No 2Molecular Simulation Research Laboratory, Department of Chemistry, Iran University of Science& Technology, Tehran, Iran S. Saffary 1800319475328460010347 1800319475328460010347 No Department of Materials Engineering, Iran University of Science & Technology, Tehran, Iran S. Ketabi 1800319475328460010348 1800319475328460010348 No Department of Chemistry, East Tehran Branch, Islamic Azad University, Tehran, Iran