Questions tagged [numerical-analysis]

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7 questions with no upvoted or accepted answers
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Good software/module in python to determine nuclear attraction integral in Slater type orbital basis sets

I am trying to solve a Hamiltonian of one electron and 10 stationary nuclear centers. here, the electron is treated quantum mechanically and nuclear centers are treated classically objects. The ...
3
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0answers
44 views

Limit to volume change in a discretized mathematical model?

I have set up a mathematical model describing the diffusion of ozone out of a gas bubble. The bubble is surrounded by a thin gas film. So actually, the model describes the diffusion of ozone through ...
2
votes
0answers
287 views

Data analysis in TCSPC for fluorescene decay (reconvolution with measured IRF)

I am trying to understand the data analysis of fluorescence decay counts measured by TCSPC technique, particularly with reconvolution with measured IRF. I am able to get the fitted counts (given by ...
2
votes
0answers
63 views

How to define a flame in numerical combustion?

I am running a CFD simulation (computational fluid dynamics) opposed jet case, where a stream of fresh reactants is opposed to a stream of burnt products. I am looking at the effects of stratification ...
1
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0answers
37 views

Column Dispersive Mass Balance analytical / numerical solution

Is there any analytical solution for the most common expression of column mass balance: $\dfrac{\partial C}{\partial t} + \left(\dfrac{1+\varepsilon}{\varepsilon}\right)\dfrac{\partial q} {\partial t} ...
0
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49 views

Calculating the weight of a chemical within a liquid mixture

I want to know the weight of ethylene glycol in a mixture of Shellzone 50/50 Antifreeze. I have taken the mid-range of 40-60% from the safety data sheet(SDS) for the amount of ethylene glycol in the ...
-2
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1answer
374 views

Chemistry - Solutions

Please give me a few hints as to how I can approach this problem A mixture of two miscible volatile ideal liquids P and Q (obeying Raoult’s law) is kept in a vessel (molar ratio of P and Q in the ...