Collaboration on sucrose derivative computational project?

08 September 2014 1,717 5 View

Why almost every element would be metallized in sufficiently high pressure and low temperature?

(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...

02 March 2021 3,309 2 View

How Can I bring as much common elements in steel as possible to calculate stable phase(s) in OpenCalphad?

As I was tweaking step-by-step OpenCalphad6 Macros step1.ocm involving phase and thermal property calculation of a High-speed steel, I could not incorporate more than 6 elements in the steel...

01 March 2021 8,840 1 View

What is the error of the Txy diagram?

Hi, I know the attached Txy diagram has an error but can't figure it out. Could you please look at the diagrams and explain it to me?

23 February 2021 4,239 1 View

How the values of errors can be calculated for thermodynamic data?

I have calculated thermodynamic parameters for surfactant solutions in aqueous and mixed alcoholic solvents. I want to calculate the value of errors in the data and represent it in the table along...

22 February 2021 239 2 View

How we can measure Kemp % in wool without using of benzene?

Would you please let me to know about the methods for measurement of medullation and Kemp % on animal? My problem is that the wool sampling and sending to laboratory is not possible. So I would...

21 February 2021 7,260 4 View

Phenol-pH graphic?

We want to use phenol pH graphic to measure the pH of mediums before and after inhibitor application to cells. We have phenol absorbence values at 460, 560 and 720 nm wavelength. When we measure...

20 February 2021 7,700 3 View

How to obtain parameters to run a simulation for benzene using CHARMM forcefield in GROMACS?

I have been reading this paper Soft Matter, 2017, 13, 1904 and in this paper, they simulate benzene in GROMACS using CHARMM. They mention that they performed simulations of benzene using the...

15 February 2021 5,561 3 View

What will happen when we assume an upper bound of OFV lower than the global minimum OFV ?

if we assume 20 is the upper bound of an objective function (OF) based on permutation a square matrix (nxn) , The minimum value of the OF=22, then we run a random operator to compute the OF by...

14 February 2021 6,056 5 View

Which non-coordinating solvent dissolves anhydrous Iron(II)chloride?

Hallo, i am looking for a non coordinating solvent that dissolves anhydrous FeCl2 for a synthesis in which i can not use solvents like thf, pyridin etc.. I already tried benzene (no solubility),...

11 February 2021 6,105 1 View

What is suitable temperature at reaction mixture of lipase activity assay?

I use para nitrophenyl palmitate substrate with tris buffer ph 8... i read many temperature for Yellow color of para nitro phenol production.. 37 and 50 and 40 at water bath ... I confused as i...

04 February 2021 9,100 5 View