Atefe Farahani

7 Questions 21 Answers 0 Followers

Questions related from Atefe Farahani

How to combine two reaxff files in MD simulation?

I am working on MD simulation of a nanocomposite .Based on some reactions ,I need to use reaxff forcefield for a better insight. But a force field file for B,N,Si,C,O elements is not available.I...

14 March 2023 4,104 3 View

how to Functionalize a surface with Materials Studio?

Hello every one I want to hydroxylate a surface in Material Studio .What are the steps ? How can I find the partial charges? I appreciate all response. Thanks

22 December 2021 8,373 4 View

How to estimate auto correlation functions in LAMMPS?

Hello I want to use Green_Kubo method to estimate thermal conductivity.But I dont know how to plot heat auto correlation function with the output data. You know I got 100000 data and it is so...

03 August 2021 9,504 9 View

How to make oilgomer( polymer with low molecular weight )from ethylene glycol ?

I want to polymerize( in low molecular weight) ethylene glycol ,but based on my information most of the polymerizations have done using ethylene oxide and not ethylene glycol. I know that water...

06 July 2021 7,142 3 View

What are main Characteristics of PDMS after polymerization and before curing?

I want to know that after polymerization of PDMS and before curing,what is the phase and viscosity?Does it have some visual chacteristics which show the polymerization has happened? I will...

09 March 2021 1,198 7 View

How to polymerize TEOS?

I want to polymerize TEOS on a surface. I know that NH4OH is a preferred catalyst and an alcoholic solvent should be used .But I can not find certain amounts of each material to use. Does any one...

03 March 2021 1,773 6 View

What is the best solvent to remove PDMS from nano particles?

I want to remove PDMS oligomers from the surface of nanolayers. I have just read a very helpful paper about the compatibility of PDMS with different solvents( Solvent Compatibility of...

25 February 2021 8,526 5 View