May the PMF calculation in non-equilibrium simulations through PDF or RDF be corrected?

Dear All, I want to calculate the PMF (Potential men force) in my system. I am doing Non-equilibrium MD simulation of water/ion transport through CNTs. I am wondering about PMF calculation using...

09 October 2016 8,634 2 View

Could anybody let me know what kind of experimental methods can be used to obtain a uniform cylindrical pore mode constructed by multilayer graphene?

Dear All, I am wondering how does it possible experimentally to obtain a uniform cylindrical pore model in multilayer graphene? Thanks in advance

06 July 2016 1,288 2 View

What the real thickness of a single layer graphene sheet is?

Dear All, I am going to compare the ion/water transport through a single layer graphene with that through a carbon nanotube. I just wondering what the exact thickness of a single layer graphene...

03 April 2016 9,881 8 View

Does it correct to model a flexible monolayer graphene through combination of tersoff and LJ in LAMMPS?

03 April 2016 5,570 3 View

What peer reviewed journals in molecular dynamic simulation do answer quickly?

01 February 2016 7,323 2 View

Can anybody let me know why Mean Square Displacement (MSD) doesn't show a rational manner when increasing the pressure?

Dear All, I am wondering why MSD doesn't show a rational behaviour when increasing the pressure? I am simulating water permeation through graphene layers nanopore by varying the pressure. But, MSD...

11 December 2015 3,423 2 View

Should I neutralize my system when simulating charge effect on graphene sheets nanopore with LAMMPS?

Dear all, I am simulating water transport through graphene sheets. I would like to analyze the charge effect on water transport properties through graphene sheets. So, I applied some charges on...

10 November 2015 9,734 1 View

What is the cause of having bidirectional water molecules motion while implementing a non-equilibrium MD simulation?

Dear All, I am doing non-equilibrium MD simulation to analyze water transport properties through CNT. My model composed of a pool region filled by water molecules and CNT. I have applied an...

09 October 2015 6,506 7 View

How to separate water from glycerol solvent in a solvent recovery vacuum distillation column?

I am currently doing my third year design project. I have been assigned to design a glycerol recovery column in vinyl acetate monomer production. The process unit before the recovery column is an...

01 March 2021 9,525 4 View

What is the state of the drug inside solid lipid nanoparticles (SLNs)?

I am a little confuse with the mechanism of solid lipid nanoparticles (SLNs). The main point of encapsulating drugs into SLNs is because some drugs have low solubility in water. Therefore, SLNs...

01 March 2021 3,703 3 View

Why is the sum of the elements in a row in a Q matrix equal to zero?

When explaining substitution models, the substitutions are expressed as Q matrix. Why is the sum of the elements in a row zero?

28 February 2021 3,864 3 View

Does different dilution factors affect negatively on NH3 reading ?

I have a sample of treated water sample & asked to obtain ammonia conc. in sample using a machine with 5-25 ppm detection range. However, upon testing with different dilution factors, all...

27 February 2021 8,483 3 View

LEDs on Vis Light photo degradation of MB water sol via N doped TiO2 in a mini flume?

Good day to all, I have no experience with light emitting diodes. I am building a glass mini flume to demonstrate the photo degradation of Methylene Blue in water running over self cleaning...

26 February 2021 4,026 5 View

How to replicate the well conditions of a crystal hit with 20%(w/v) isopropanol?

I had a crystal hit in a well with 0.1M HEPEs pH 7.5, 10%(w/v) PEG 4000, and 20%(w/v) isopropanol. Why is isopropanol in w/v here if it's just solvent? How do I recreate this well condition?

25 February 2021 9,761 1 View

To date, according to health authorities, 30% of the population's diseases are initiated by drinking water pollution. Do you know this problem?

The main studies are as follows: * regular and timely receipt of information about the state of the environment using automated systems (stationary and mobile); * operational analysis of the...

23 February 2021 912 5 View

Can I use a protein-devoid condition as my negative control in ELISA?

Hello, I am running a sandwich-type ELISA where I am trying to inhibit a protein-protein interaction using small molecules. For each experiment, I determine my Z' (Z-prime) to determine the...

23 February 2021 7,429 1 View

How to build fluid structure interaction simulation for elastic ring squeeze film damper in COMSOL?

How to build fluid structure interaction simulation for elastic ring squeeze film damper in COMSOL?

22 February 2021 5,408 1 View

Multinomial probabilities and confidence intervals - obtaining the CI of the reference category?

Hi, Some background to my question: I have fitted 1st order multinomial Markov models with covariates. Since all probabiilties (for each row of the transition matrix) sum to 1, I estimate only...

22 February 2021 2,541 4 View