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This text describes the data presented in the paper: The effect of temperature on selectivity in the oscillatory mode of the phenylacetylene oxidative carbonylation reaction. 

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Introductory information
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Files included in the data deposit (include a short description of what data are contained): 

1)Files containing pH, heater power, Qr, energy and product and reactant concentrations at temperatures of 0, 10, 20, 30 and 40 degrees Celsius.
2)
3)


Explain the relationship between multiple data sets, if required:



Key words used to describe the data:

pH oscillations, reaction heat, phenylacetylene

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Methodological information
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A brief method description – what the data is, how and why it was collected or created, and how it was processed:
The data are the values of pH and heater power and reactant and product concentrations recorded during the carbonylation of phenylacetylene at temperatures of 0, 10, 20, 30 and 40 degrees Celsius using power compensation calorimetry. The data was collected to see the effect of reaction temperature on the selectivity of the reaction and also to see if pH and power oscillations continued when the reaction temperature was reduced to 0 degrees Celsius
 

Instruments, hardware and software used: 

Experiments were conducted in an HEL Simular reaction calorimeter using HEL's WinISO software for datalogging and HEL's iQ software for generating the Qr and energy data from the heater power measurements.
A Varian Saturn 2200 GCMS was used for sample analysis giving reactant and product concentrations.
Microsoft's Excel from Office 2013 to produce all graphs.

Date(s) of data collection: 

June - December 2010

Geographic coverage of data:



Data validation (how was the data checked, proofed and cleaned):



Overview of secondary data, if used:



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Data-specific information
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Definitions of names, labels, acronyms or specialist terminology uses for variables, records and their values: 
PhAc - phenylacetylene
Z-isomer - dimethyl (2Z)-2-phenyl-2-butenedioate
E-isomer - dimethyl (2E)-2-phenyl-2-butenedioate
DMO - 5,5-dimethoxy-3-phenyl-2(5H)-furanone
MeAt - methyl atropate
Qr - reaction heat


Explanation of weighting and grossing variables: 



Outline any missing data:



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Contact
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Please contact rdm@ncl.ac.uk for further information