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Chemical and Isotope Data

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Introduction

The ScientificConstants package contains chemical data

Use the GetElement command to access the properties of elements in the Periodic Table . For example, let's review the properties of Platinum (Pt).

>

withScientificConstants:

>

GetElementPt

78,symbol=Pt,name=platinum,names=platinum,ionizationenergy=value=8.9587,uncertainty=undefined,units=eV,electronegativity=value=2.28,uncertainty=undefined,units=1,boilingpoint=value=4098.,uncertainty=undefined,units=K,electronaffinity=value=2.128,uncertainty=0.002,units=eV,density=value=21.5,uncertainty=undefined,units=gcm3,atomicweight=value=195.078,uncertainty=0.002,units=amu,meltingpoint=value=2041.55,uncertainty=undefined,units=K

(1)

You can also extract the standard atomic weight of platinum.

>

evalfElementPt, atomicweight,units

3.239348611×10−25kg

(2)

With the GetIsotopes command, you can access all instances of platinum.

>

GetIsotopeselement=Pt

Pt168,Pt169,Pt170,Pt171,Pt172,Pt173,Pt174,Pt175,Pt176,Pt177,Pt178,Pt179,Pt180,Pt181,Pt182,Pt183,Pt184,Pt185,Pt186,Pt187,Pt188,Pt189,Pt190,Pt191,Pt192,Pt193,Pt194,Pt195,Pt196,Pt197,Pt198,Pt199,Pt200,Pt201,Pt202

(3)

Example - Molecular Weight

This example determines how many molecules of caffeine are in a 250 gram sample.

The chemical formula for caffeine is C8H12N4O2. Thus, the molecular weight is:

>

MW 8ElementC, atomicweight+12ElementH,atomicweight+4ElementN,atomicweight+2ElementO,atomicweight: evalfMW

3.258087476×10−25

(4)

which, in the current default system of units, SI, is measured in kilograms (kg). However, molecular weight is typically expressed in atomic mass units (amu). To convert a measurement between units, use theconvert/units function.

>

MW__AMUconvertMW, units, kg, amu

MW__AMU196.2064800

(5)

By definition, the number of atomic mass units per molecule is equal to the number of grams per mole. Hence, divide 250 by the above result.

>

NumMoles 250MW__AMU

NumMoles1.274167907

(6)

which is the number of moles in the sample.

To calculate the number of molecules, multiply the above result by Avogadro's constant.

>

NumMolesevalfConstantN'A'

7.673218610×1023

(7)

Example - Radioactive Decay

The following example shows how to plot the decrease in the radioactive decay activity for a sample of radium-229.

The activity is

>

Activity A0ⅇλt:

where, A0 is the initial activity, λ is the mean lifetime of the isotope, and t is the elapsed time.

The mean lifetime is related to the half-life by λ=0.693H

>

λ 0.693evalfElementRa229, halflife

λ0.002887500000

(8)

Plot with A0=1.

>

A01:plotActivity, t=0..2103, labels=Time (s), Activity, title=Radioactive Decay of Radium-229


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