Showing posts with label Journal of Chemical. Show all posts
Showing posts with label Journal of Chemical. Show all posts

Thursday, November 17, 2011

Chemical reactions and catalysts

A chemical reaction involves a chemical change, which happens when two or more particles (which can be molecules, atoms or ions) interact. For example, when iron and oxygen react, they change to a new substance, iron oxide (rust). Iron oxide has different chemical properties to iron and oxygen. This is different to a physical change. For example, water can turn to ice, but ice is still water in another physical state – ice and water have the same chemical properties.

    Chemical reactions involve making new combinations
 
When chemicals react, particles need to collide with each with enough energy for a reaction to take place. The more often they collide, the more likely they are to react. Not all collisions result in reactions – often there is not enough energy for this to happen.
Some reactions happen faster than others. The rate depends on the likelihood of collision between particles. A number of things affect the rate of a reaction.
  • Concentration – The more particles there are, the bigger the chance of collisions.
  • Temperature – Particles move around more at higher temperatures, so more collisions are likely, and the collisions will have more energy.
  • Pressure – Particles in gases are very spread out. If you increase the pressure, the particles are forced together, so the chances of collision are increased.
  • Surface area – If one of the reacting chemicals is a solid, only particles at the surface can collide. The bigger the surface, the faster the reaction. Smaller particles have a larger surface area for their size than larger ones. This explains why powder normally reacts faster than lumps.
  • Catalysts – A catalyst is a substance that changes the rate of a chemical reaction, but is chemically unchanged at the end of the reaction. An inhibitor does the opposite – it slows down chemical reactions.

Catalysts

Catalysts play an important part in many chemical processes. They increase the rate of reaction, are not consumed by the reaction and are only needed in very small amounts.
There are two main ways that catalysts work :

I. Adsorption

Particles stick onto the surface of the catalyst (called adsorption) and then move around, so they are more likely to collide and react. A good example is the way the platinum catalyst in a car’s catalytic converter works to change toxic carbon monoxide into less-toxic carbon dioxide. 
           Catalytic converter catalyst

II. Intermediate compounds

In this process, a catalyst first combines with a chemical to make a new compound. This new compound is unstable, so it breaks down, releasing another new compound and leaving the catalyst in its original form. Many enzymes (special biological catalysts) work in this way. Many industrial chemical processes rely on such catalysts.
One example of a catalyst that involves an intermediate compound can be found high in the Earth’s atmosphere. Up there, the chemical ozone (with molecules containing three oxygen atoms) helps protect the Earth from harmful UV radiation. But also up there is chlorine, which gets into the atmosphere from chemicals (chlorofluorocarbons, CFCs) used in some refrigerators, air conditioners and aerosol cans.
Chlorine is a catalyst, which steals an oxygen atom from ozone (O3) leaving stable oxygen (O2). At the same time, it forms an unstable intermediate chlorine-oxygen compound, which breaks down to release its oxygen. This leaves the chlorine free to repeat the process. One chlorine atom can destroy about a million ozone molecules every second. This can have a drastic effect on the atmosphere’s ability to protect us from UV radiation.

Monday, November 14, 2011

Solubility of Ferrate(VI) in NaOH−KOH Mixtures at Different Temperatures

The solubility of potassium ferrate(VI) (K2FeO4) was measured in a mixture solution containing various molar ratios of KOH and NaOH at a total concentration of 14 M from (10 to 60) °C. The solubility of K2FeO4 decreased because of the presence of K+ in the solution mixture. The solubility (S*) was expressed as log S* = 5.830 − 2019/T − 5.845XK+0.5 + 1.595XK+ + 724XK+0.5/T (σ = 0.024), where XK+ is the mole fraction of K+ in the solution mixture and T is in Kelvin. A comparison of the values of S* in different alkali metal hydroxide solutions showed that the solubility of K2FeO4 was diminished in KOH and CsOH and similarly in LiOH and NaOH solutions. The solubility product constant (Ksp*), calculated from the solubility measurements, was given as log Ksp* = 18.10 − 6055/T − 17.535XK+0.5 + 4.785XK+ + 2171XK+0.5/T (σ = 0.061). The heat of dissolution (ΔHdiss) decreased linearly with an increase in the mole fraction of K+ ions. The significance of the solubility results is briefly discussed.


Synthesis of hollow BaSO4 nanospheres templated by core–shell–corona type polymeric micelles


Graphical abstract: Synthesis of hollow BaSO4 nanospheres templated by core–shell–corona type polymeric micelles

Saturday, October 30, 2010

Definition of Index of Hydrogen Deficiency ( IHD ) and methods for calculating the IHD in a molecule.

The Index of Hydrogen Deficiency (IHD), is a count of how many molecules of H2 need to be added to a structure in order to obtain the corresponding saturated, acyclic species.
Hence it takes a count of how many rings and care present in the structure, so IHD can also be thought of as (multiple bonds + rings) or (p + r).
The degree of unsaturation (also known as the index of hydrogen deficiency (IHD) or rings plus double bonds[1]) formula is used in organic chemistry to help draw chemical structures. The formula lets the user determine how many rings, double bonds, and triple bonds are present in the compound to be drawn. It does not give the exact number of rings or double or triple bonds, but rather the sum of the number of rings and double bonds plus twice the number of triple bonds. The final structure is verified with use of NMR, mass spectrometry and IR spectroscopy, as well as inspection.
The formula for degree of unsaturation is

DU = 1 + \frac{1}{2} \sum n_i(v_i-2)

where ni is the number of atoms with valence vi.[2]

That is, an atom that has a valence of x contributes a total of x-2 to the degree of unsaturation. The result is then halved and increased by 2.
[edit] Rings plus double bonds formulation

For molecules containing only carbon, hydrogen, monovalent halogens, nitrogen, and oxygen, the formula

R+DB = C - \frac{H}{2} - \frac{X}{2} + \frac{N}{2}+1\,

where C = number of carbons, H = number of hydrogens, X= number of halogens and N = number of nitrogens[3], gives an equivalent result. Oxygen and other divalent atoms do not contribute to the degree of unsaturation, as (2-2) = 0.

The degree of unsaturation is used to calculate the number of rings and pi bonds, where

* Rings count as one degree of unsaturation
* Double bonds count as one degree of unsaturation
* Triple bonds count as two degrees of unsaturation

Once the molecular formula of an unknown compound is known, structural information can be elucidated (for example, what functional groups are probably present, is the compound cyclic or linear...). The first step involves the calculation of the index of hydrogen deficiency, or IHD. The IHD tells us the number of p bonds and/or rings a molecule contains. This information is based on the following general molecular formulas:

alkane CnH2n+2
cycloalkane or alkene CnH2n
alkyne CnH2n-2

Notice that each time a ring or p bond is introduced into a molecule, the number of hydrogens is reduced by two. Therefore, if the molecular formula of an unknown compound has two less hydrogens than a straight chain alkane with the same number of carbon atoms would have, then the IHD is 1 and the unknown compound must have one p bond or one ring. Note that interesting structural information has been gleaned from just knowing the molecular formula of the compound in question.

There are two methods for calculating the index of hydrogen deficiency in a molecule as described below.

A. Determination of IHD - Painful Method

There are several steps to determining the IHD for a molecule.

1. Determine the formula for the saturated, acyclic hydrocarbon containing the same number of carbon atoms as the unknown substance.

2. Correct the formula for the nonhydrocarbon elements present in the unknown. Add one hydrogen atom for each Group V element present, and subtract one hydrogen atom for each Group VII element present.

3. Compare this formula with the molecular formula of the unknown. Determine the number of hydrogens by which the two formulas differ.

4. Divide the difference in the number of hydrogens by two to obtain the index of hydrogen deficiency. This equals the number of p bonds and/or rings in the structural formula of the unknown substance.

Example:

1. Question:

An unknown substance has the molecular formula C2H3Cl3O2. What is the IHD for this unknown?

Answer:

1. The formula for the two-carbon saturated, acyclic hydrocarbon is C2H6.

2. Correction for oxygens in the formula: C2H6O2

Correction for chlorines: C2H3Cl3O2

3. Difference in hydrogens between two formulas: 0

4. Divide by two: 0

Therefore, IHD = 0 and the unknown substance has no p bonds and/or rings.

2. Question:

Nicotine has the molecular formula C10H14N2. What is the IHD for nicotine?

Answer:

1. The formula for the ten-carbon saturated, acyclic hydrocarbon is C10H22.

2. Correction for nitrogens in the formula: C10H24N2

3. Difference in hydrogens between two formulas: 10

4. Divide by two: 5

Therefore, IHD = 5 and the unknown substance has 5 p bonds and/or rings.


B. Determination of IHD - Best Method

A much simpler method for obtaining the IHD of a molecule involves the use of the following equation:

IHD = n + 1 - [(m - t) / 2]

where:

n = # of tetravalent atoms in formula (usually Carbon, Silicon, and Sulfur in the +6 oxidation state)

m = # monovalent atoms in formula (usually hydrogen and the halogens)

t = # trivalent atoms in formula (usually nitrogen and phosphorus)

Example:

1. Question:

An unknown chemical compound has the molecular formula C7H10. What is the IHD for the molecule?

Answer:

IHD = 7 + 1 - [(10 - 0) / 2] = 8 - 5 = 3

Therefore, IHD = 3 and the unknown substance has 3 p bonds and/or rings.

2. Question:

An unknown chemical compound has the molecular formula C8H6ClNO4. What is the IHD for the molecule?

Answer:

IHD = 8 + 1 - [(7 - 1) / 2] = 9 - 3 = 6

Therefore, IHD = 6 and the unknown substance has 6 p bonds and/or rings.

Thursday, September 30, 2010

What is Material Safety Data Sheet (MSDS) and Where can we get it

An MSDS is a document containing important information about a hazardous chemical (which may be hazardous substance and/or dangerous goods) and must state:
  • a hazardous substance's product name
  • the chemical and generic name of certain ingredients
  • the chemical and physical properties of the hazardous substance
  • health hazard information
  • precautions for safe use and handling
  • the manufacturer's or importer's name, Australian address and telephone number.

The MSDS provides employers, self-employed persons, workers and other health and safety representatives with the necessary information to safely manage the risk from hazardous substance exposure.
It is important that everyone in the workplace knows how to read and interpret a MSDS.

Access to MSDS

Access to a MSDS can be provided in several ways including:
  • paper and microfiche copy collections of MSDS with microfiche readers open to use by all workers
  • computerised and internet MSDS databases.

The register of MSDS should be used as an information tool to make sure everyone is involved in managing hazardous substances exposure at the workplace.
A MSDS should be reviewed whenever there is:
  • a change in formulation which:
    • affects the hazardous properties of the substance
    • alters the form, appearance or mode of application of the substance
  • a change to the hazardous substance which alters its health and/or safety hazard or risk
  • new health and/or safety information on the hazardous substance such as exposure standard changes or a substance previously considered not harmful is now established to be harmful (e.g. carcinogenic
  • at least every five years.

In respect of MSDS and labels, employers and self-employed persons must:
  • Obtain an MSDS of a hazardous substance from the supplier.
  • Keep a register containing a list of all hazardous substances used at the workplace and put a copy of any MSDS obtained in the register.
  • Take reasonable steps to ensure the MSDS is not changed other than by the manufacturer or importer.
  • Keep the MSDS close to where the substance is being used.
  • Ensure a label is fixed to a hazardous substance container.
  • Ensure warnings are given about enclosed systems containing hazardous substances.

Retailers are not required to distribute MSDSs. However, if a hazardous substance is purchased from a retailer, and the substance is for use at a workplace, an MSDS can be requested from another supplier of the hazardous substance such as the manufacturer or importer.
In certain circumstances a supplier must provide copies of the MSDS to the workplace and fix a label to the containers of all classified hazardous substances because the substances:
  • are on the National Occupational Health and Safety Commission (NOHSC) List of Designated Hazardous Substances
  • on the designated list and are contained in a substance above a certain concentration
  • meet the Approved Criteria (because of health effects).

More information about MSDS is provided in Section 1 of the Hazardous Substances Advisory Standard 2003 (now known as a Code of Practice) .
The format and content for a MSDS used in Australia is set out in the 'National Code of Practice for the Labelling of Workplace Substances'.
Employers can also ask the supplier of a hazardous substance for a 'National Industrial Chemicals Notification and Assessment Scheme (NICNAS) summary report' which provides more detailed advice about health hazards and control measures.

Labelling and decanting

Suppliers, employers and self-employed persons have specific labelling obligations for all hazardous substances containers in the workplace.
What is on the label?
The label must be in English and contain the following:

If the manufacturer has amended a MSDS, the label should be changed to ensure that it is consistent with the information in the amended MSDS.
Containers of decanted hazardous substances at the workplace must be labelled with the product name and basic health and safety information (risk and safety phrases) from the supplier's label.

 Where can I get MSDS's?