What is the reason for obtaining spikes in the energy plot?

During equilibration of pure ionic liquid (TDTHP-DCA) system to estimate molar volume, self-diffusion constant etc, there are spikes arising in the energy plot. The spikes continued to exist even...

01 February 2015 6,242 12 View

Which freeware programs for Windows are capable of converting SMILES formula into a 2D chemical structure?

I am looking for a freeware program for Windows which can take simple input file formats like SMILES, PDB, MOL etc. to give a 2D chemical structure, instead of manually drawing the whole structure.

10 November 2014 7,036 3 View

Can a combination of different force field parameters be used for an MD simulation?

While performing an MD simulation using X force field potential energy functional form (CHARMM/AMBER/OPLS), is it necessary to use force field parameters corresponding to the same X force field?...

09 October 2014 9,849 7 View

What settings are recommended to analyze CO2 and H2 with TCD using Carbo Sieve S-II column?

CO2 is not being detected with N2 as carrier gas. Will Argon work to detect it? What are the flow rate and temperature settings recommended to the above analysis?

09 October 2013 6,532 1 View

What is the purpose of ramping while performing GC?

I'm learning GC recently and came across many analyses performing ramping instead of providing a constant temperature right from the start. What is the purpose and advantage of ramping while...

09 October 2013 8,422 5 View

What care needs to be taken when measuring currents in the order of microamperes?

Will the connection resistances influence the magnitude of the current? What instruments may be used for the purpose of measuring and recording microcurrents?

08 September 2013 8,583 2 View

How can the remanence of magnetic nanoparticles be controlled?

I want to improve the remanence of magnetic nanoparticles. What are the parameters that influence remanence?

08 September 2013 9,846 4 View

Can someone suggest a viscous non-polar solvent?

I need a list of non-polar solvents as well as their viscosity data. Where can I find it? You can even suggest a textbook for reference.

07 August 2013 5,626 14 View

What kinds of gel can be used to maintain a concentration gradient for longer times?

I wanted to maintain a steady concentration gradient of a solvent in a solution. Silica gel is breaking up quickly in minutes. What kind of gel can be used to maintain this gradient over longer...

07 August 2013 3,289 1 View

How can I capture video from optical microscope's eyepiece?

I've been observing my liquid sample under optical microscope and found the digital picture shown in the computer as obscure and less in quality from the actual picture seen through the eyepiece....

07 August 2013 4,882 4 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

what is the simplest definition of ion exchange capacity

What this unit identifies for the ion exchange capacity ca. 0.92 meq. g-1. I am a newcomer in the membrane area. I just started. I highly appreciate your help

08 May 2021 0 0 View

what is the simplest definition of ion exchange capacity

What this unit identifies for the ion exchange capacity ca. 0.92 meq. g-1. I am a newcomer in the membrane area. I just started. I highly appreciate your help

08 May 2021 0 0 View

i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

24 March 2021 0 0 View

How to compare two groups with only two measurements?

Hiiiii everyone! I have an enquiry on statistical analysis. I was looking for many forum and it's still cannot solve my problem. I want to compare means of two groups of data but only with two...

03 March 2021 8,796 3 View

Can we classify HV and LV lines based on line length?

I have dataset which shows the length of power lines. I need to classify the lines based on the line length. Is there a rule to classify the High voltage (HV) and low voltage (LV) lines based on...

03 March 2021 4,116 4 View

Enhanced Yellow Fluorescent Protein (Aequorea victoria) DNA sequence?

I am on the lookout for the Enhanced Yellow Fluorescent Protein (Aequorea victoria) DNA sequence. Does anyone know where I can find it? Thank you in advance

03 March 2021 3,568 1 View

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...

03 March 2021 5,978 5 View