How to set up pH? - FAQS.TIPS

More Deepali Sharma's questions See All

How can I determine the size of the nanocluster?

I have created ZnO cluster in GaussView by increasing the lattice parameters in all three dimensions with total number of atoms as 32. Is it possible to know the size of this cluster from the...

02 March 2016 8,634 1 View

Any suggestions on simulating DPPC lipid bilayer using OPLSAA forcefield?

I am trying to simulate dppc lipid bilayer using OPLSAA forcefield. I downloaded 128-dppc.pdb, 128-dppc.top, dppc-opls.itp and opls-ua-lipid atomtypes.itp (contains only atom types) files from...

03 April 2015 5,915 5 View

Free version of CRYSTALMAKER SOFTWARE?

Is free version of CRYSTALMAKER software available for download? I downloaded demo version but that does not allow to save file.

03 April 2015 4,861 2 View

Can somone help with an error while creating topology file using topolbuild?

I converted the pdb file to mol2file using openbabel 2.3.2. When I am trying to execute the topology of the file using the following command: ./topolbuild -dir...

03 April 2015 5,464 12 View

Can anyone help me use martinize.py to generate coarse grain structure of a iron pyrite nano cluster?

I created iron pyrite nanocluster in material studio 7.0 and exported it as .pdb file. I downloaded martinize.py to convert this nanocluster to coarse grain and create simultaneously cg.gro and...

02 March 2015 1,485 4 View

Can anyone help me o build coarse grain model for metal oxide nanoparticles using GROMACS?

I want to build coarse grain model for metal oxide nanoparticles using GROMACS. CNT simulation steps are available on gromacs site (Andrea Minoia's tutorial) but I need steps for metal oxide...

02 March 2015 5,740 3 View

I have installed GROMACS 4.6.5 and FFTW3.3.4. In the steps of installing FFTW, I also installed steps for Double Presicion Versio. What is this?

I am a beginner in the field of GROMACS.

01 February 2015 8,353 0 View

Could GROMACS be used to study cytotoxicity of metal oxide nanoparticles?

GROMACS

05 June 2014 2,024 1 View

Could you recommend any books about Number Theory?

Beginner level books. High level books. Analytical Number Theory. Algebraic Number Theory. Combinatorical Number Theory. Books about partitions. Books about primes.

03 March 2021 7,174 5 View

I need to image mesoporous silica nanoparticles that are in ~100 nm size and do high resolution TEM to look at mesopores. what grids should I use?

Need to image mesoporous silica nanoparticles using the TEM. Also, need high resolution TEM images to see the mesoporous structure. Kindly suggest what kind of grids to use. Thanks, Shatadru

02 March 2021 1,787 2 View

Arena simulation - how do i model the following model in ARENA (see description) (new to ARENA)?

Hello, I'm fairly new to ARENA and I have the following problem: I have two queues in which, in each queue, a different order type arrives (both having an arrival rate of exponential 10). Order...

02 March 2021 2,431 3 View

Can chitosan alone can act as a reducing agent for Cu(0) nanoparticle sythesis?

[Synthesizing Cu nanoparticles without using chemical reductants]

01 March 2021 8,359 1 View

What are the new 2D nanomaterials were used for Silver nanoparticles stabilization?

In the stabilization of AgNPs are vital in current research interest. However, some of the 2D nano-materials like graphene oxide, MoS2, etc... previously used to stabilize it. But still they shown...

01 March 2021 2,207 3 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

How to check the uv-vis absorption of nanoparticle by surface plasmon resonance?

I try to check the uv-vis absorption of Indium nanoparticle. Now I am measuring in solution, can I measure it in the form of a film?

01 March 2021 930 3 View

Distribution of particles in metal matrix?

How would define the "good" and "poor" distribution of particles within the matrix. Is there a quantitative solution to assess the distribution of the particles, which then having denotation of...

28 February 2021 7,397 8 View

Is there a deep reason for using the squared modulus of the wave function as the probability density of the existence of the particle?

I think we were all surprised at the first time we got to know quantum mechanics that the squared modulus of the wave function is the probability density of the existence of the particle? The role...

28 February 2021 6,282 9 View

How can I calculate the rdf of water molecules around 'Na' ions that are closest(adsorbed) to the nanoparticle(solute)?

Hi, I want to calculate the radial distribution function for water molecules around the Na+ ions adsorbed on the surface of a spherical nanoparticle using the gromacs trajectory dynamically? For...

28 February 2021 5,650 1 View

Md. Aminul Islam

It is, at first, a good idea to carry out conventional adsorption expriments by batch or continuous mode method and then consider DFT. This will be very interesting.

Segun Michael Abegunde

0.1 M HCl and 0.1 M NaOH solutions are normally used to control the working pH in adsorption.

Waqas Hassan Tanveer

DFT in pH , such an exciting technique for material engineers