چکیده مقاله
The synthesis of gold nanoparticles GNPs by seeding growth method was performed with well dispersed and stable structure Combining experimental and computational approaches in this work helps to understand the dependent and independent variables in individual and combined systems In the present project, a Statistical and material studio software has been statistically initiated using constrained surfaces and mixture model and Flory Huggins model respectively From the results, design of experiment DOE was able to show the most important variables that take part in the synthesis of GNPs and actually, measures the variables significance The results proved that in both the computational and experimental approach HAuCl4 was the most responsible factor in optical density Also, Trisodium Citrate was the most responsible factor in effect of formulation parameters on absorption peak and particle size In addition, Molecular Dynamic Simulation MDS show the variables energies and mechanism of reaction thermodynamic properties Trisodium Citrate in MDS has higher energies in free and mixing energy and the mechanism of reaction occur between the individual and blended component Consequently, it indicates repulsive and attractive interactions due to positive and negative free energy
کلیدواژهها
نویسندگان
شیوه ارجاع
Sahabi Asma, Mukhtar and A.Adebileje, Tajudeen and Babaei Afrapoli, Zoha and Kharrazi, Sharmin and Faridi Majidi, Reza,1399,Synthesis of Gold Nanoparticles : An approach based on Mixture design and Molecular Dynamics Simulation,6th International Conference on Science and Technology with Sustainable Development Approach
ارائهشده در
مجموعه مقالات ششمین همایش بین المللی علوم و تکنولوژی با رویکرد توسعه پایدار20 اسفند 1399