Industrial Group meetings in 2004
Meetings listed in this file are:
BCA Spring Meeting 2004.
UMIST, Manchester, 6-8 April 2004
There is considerable overlap with the Groups at this meeting
and it important that you review the full programme on the BCA
meeting pages. We concentrate here on items of particular
interest to the Industrial Group.
NOTE: Day registration is only £65 if you
book early and 3 days fully inclusive of registration, meals, two
nights basic accommodation and conference dinner is only
£ 228.70. Fully inclusive rates are available of
less than £150 for students and £165
other concessions.
Industrial Group Highlights
The IG has put together a comprehensive programme.
You have the opportunity to get some real value for money
training from world class experts for yourself, a trainee or
student.
There is something to keep you occupied over the full three days
including a comprehensive exhibition featuring all the major
suppliers, a real chance to update your product knowledge in a
fast changing market place.
There will be a Young Crystallographers Meeting, Lonsdale
Lecture and Exhibition Open Evening (19:30 - 22:00) on Monday 5th
April see BCA Web pages for details.
Individual Session Details Follow
Instrument Calibration, How to be a star!
Chair: Jeremy Cockcroft
Session 1: Wednesday 08:30 - 10:00
08:30 - Introduction to Instrument Calibration Session.
Dave Taylor et.al. ICDD
The aim of this introductory session is to explain
the criteria of a "star" (*) quality pattern in the Powder
Diffraction File (PDF). Describe the procedure and requirements
for submitting new "star" patterns to the database. We will also
look at the checks needed to ensure that your equipment gives
"star" quality data and the standards and tools that can help
you.
09:30 - Aspects of calibration in SAXS,
Manfred Kriechbaum, Institute of Biophysics and X-Ray
Structure Research, Austrian Academy of Sciences
Session 2: Wednesday 10:30 - 12:00
10:30 - The European XRPD Standard.
Steve Norval, ICI plc.
11:00 - Lined-Up or Spot-On? The Ups and Downs of
Diffractometer Alignment.
Martin Vickers, Birkbeck College.
11:20 - Stress Instruments.
Judith Shackleton, University of Manchester.
11:40 - Calibration for Silver Halides.
David Beveridge, ILFORD Imaging UK Ltd.
12:00 - Close
Parallel Session : "Catalysts in Industry"
Wednesday 7 April 15:30 - 16:30
Chair: Steve Norval, ICI plc.
15:30 X-RAY DIFFRACTION AT JOHNSON MATTHEY: FROM CELL
PARAMETER TO FUEL CELL.
Tim Hyde, Johnson Matthey.
15:50 CATALYSTS IN SITU.
Steve Norval, ICI plc.
16:10 POWDER X-RAY DIFFRACTION AND HETEROGENEOUS
CATALYSIS.
Justin Hargreaves, University of Glasgow
Small Angle Scattering Session 1: 13:30 - 15:00
7th April 2004
Chair: Richard Morris
13:30 - Comparative SAXS measurements performed by different
techniques
Vladimir.A.Kogan, PANalytical
13:50 - X-Ray time-resolved SAXS-measurements - Structure
Research at Synchrotrons.
Manfred Kriechbaum Institute of Biophysics, Austrian Academy
of Sciences
14:10 - SAXS Snippets: Solid Polymers to Particles in
Solution.
Mary Vickers, Cambridge University
14:30 - In Situ Diffraction Studies of Microwave-Driven
Processes in Materials Chemistry and Biology.
Andrew Harrison, Edinburgh University
Small Angle Scattering Session 2: 10:30 - 12:00
8th April 2004
Chair: Richard Morris
10:30 - Small-Angle Scattering Studies of Biological
Macromolecules in Solution.
Dmitri Svergun Group Leader, European Molecular Biology
Laboratory, Hamburg Outstation.
11:00 - "He Scrubs Up Well, Doesn't He?" - New Aspects of
Expanded Lamellar Surfactants - Sugar Based Exfoliates.
Richard Morris Huntsman Surface Sciences
11:20 - SAXS from Multi-functional XRD Instruments.
A contribution from BrukerAXS
11:40 - SANS - Practicalities and Prospects.
Richard Heenan ISIS Facility R3 1-21 RAL
12:00 Lunch & Exhibition
Small Angle Scattering Session 3: 13:00 - 14:30
8th April 2004
Chair : Mary Vickers
13:00 - Scattering From Segmented Co-polyurethanes - A
Reinterpretation of SAXS Data.
Peter Laity, Cambridge University
13:30 - X-ray Reflectivity Measurements in the Glass
Industry.
Mark Farnworth, Pilkington plc
14:00 - SAXS Interpretation of Deflocculated Vesicles - The
route to Superconcentrated Detergents.
Richard Clapperton, Huntsman Surface Sciences
Industrial Group Posters
Posters are invited for display at the Spring Meeting. As an
extra incentive to your participation, in addition to the acclaim
that your poster will no doubt bring, the Industrial Group are
offering a magnificent prize of £50 and a bottle of
champagne for best poster.
Some guidelines follow for what we would prefer to see in our
posters and our adjudicators will work from these.
Posters are encouraged that:
- are relevant to industry (including some background and value
of the work to industry)
- have clear aims, results and conclusions
- concentrate on telling the story, rather than fine
detail
- are not an advertisement for a commercial product
There will be an opportunity to give a brief oral presentation
of the content of each poster.
For more information, contact:
Industrial Group AGM
The 21st ANNUAL GENERAL MEETING of the Industrial
Group will be held at UMIST at 12:00 on 7thApril
2004
Nominations are sought for Chair, Vice-Chair and
two committee member to serve for three years from April
2004.
Nominations, which shall be proposed by not less than two
members of the Group and shall be accompanied by the written
consent of the nominee, shall be sent to reach the Honorary
Secretary of the Group not later than seven days before the
Annual General Meeting.
Contact the Secretary/Treasurer
Introduction to Powder Diffraction - One Day Workshop
To be held at Manchester Materials Science Centre on
10th June 2004.
Aims & Objectives
Tutors: Judith Shackleton, Jeremy Cockcroft & Dave
Taylor.
This workshop will provide a basic introduction, primarily for
phase identification using X-ray powder diffraction (XRPD) &
will cover the following topics.
- What information can be derived using XRPD?
- What are its limitations?
- Principles of diffraction, Bragg's law & some basic
crystallography.
- Powder diffractometers, how they work and how to collect good
data.
- The importance of sample preparation and some tricks of the
trade!
- Using the ICDD Powder Diffraction File (PDF) for phase
identification.
- Some examples of typical applications.
- A basic resume of other diffraction techniques including:
Residual Stress, texture, line broadening.
Who should attend?
This workshop is specifically aimed at people new to powder
diffraction and those with some experience who need a refresher
in the basic methods & instrumentation. It will be
particularly useful for those starting work, in industry or
academia, on projects which will involve powder diffraction
experiments. It will provide useful background for anyone who is
considering the purchase of XRPD equipment or contracts out their
work.
Basic Fee:
£30.00 which includes tea/coffee and lunch (no
concessions) Note: A None BCA Member supplement of £15.00
(£7.50 concessions) applies.
Note: Places are limited to 20 on a first come
basis.
Provisional Programme
Workshop Tutors:
Judith Shackleton, Manchester Materials Science Centre,
Jeremy Cockcroft, Birkbeck College, London
Dave Taylor, Consultant.
10:00 Registration and Coffee
10:25 Welcome and Introduction - Judith Shackleton
10:30 Introduction to Powder Diffraction, and
Basic Crystallography - Jeremy Cockcroft
11:30 Question Time
11:45 Instrumentation and Sample preparation - Judith
Shackleton
12:45 Question Time
13:00 Lunch
14:00 Phase identification - Dave
Taylor
14:40 Question Time
14:50 Quantitative Analysis & Rietveld
Refinement- Jeremy Cockcroft
15:30 Question Time
15:40 Other Diffraction Techniques - Judith
Shackleton
16:20 Question Time
16:30 Close
Note the numerous Question Times will involve all the
tutors and are designed to help consolidate the understanding of
the course material by drawing on the expertise of the course
tutors.
Registration
Registration is now closed for this meeting.
Contact:
Judith Shackleton
Manchester Materials Science Centre
Grosvenor Street
MANCHESTER
M1 7HS
Tel 0161 200 3581
Fax 0161 200 3586
E-mail: [email protected]
Abstracts:
Introduction to Powder Diffraction, and Basic
Crystallography - Jeremy Cockcroft
This session will cover the various factors that determine the
position and intensities of the peaks in a powder diffraction
pattern. Particular attention will be paid to differences between
single-crystal and powder diffraction. The session will also
teach basic symmetry, and especially those aspects of relevance
to powder diffraction. Finally, the session will end with pattern
indexing, determination of symmetry, and unit cell
refinement.
Qualitative Phase Analysis - Dave Taylor
This session will introduce the ICDD powder diffraction file
(PDF) and explore its use in phase identification. The history of
the PDF and its impact on data storage and the development of
identification algorithms will be covered. Data quality issues
and the use of subfiles to segment the data will be discussed.
Massive expansion of the PDF has occurred over recent years and
the PDF is now available as three distinct products. The
philosophy and differences between these products will be
explained with reference to future planned expansion. The
mechanics of Hanawalt and Fink search methods will be
demonstrated and the development into the computerised methods of
today will be discussed.
Quantitative Analysis and Rietveld Refinement - Jeremy
Cockcroft
This session will explain the basic concepts underpinning the
use of powder diffraction as a quantitative analytical technique.
Examples will be taken from both mineral and pharmaceutical
systems with an explanation of the limitations of the different
methods. Since one method makes extensive use of crystal
structure information, an overview of the Rietveld method for
structure refinement will be provided and its use in quantitative
analysis explained.
5th October 2004 Pharmaceutical SIG, AstraZeneca,
Alderley Park. 
Meeting Abstracts and Speakers photograph
10:00 - 10:30 Coffee on arrival.
10:30 Introductory Remarks.
Anne Kavanagh (AstraZeneca)
10:40 'Hydrate or
anyhdrate: that is the question'
Rebecca Booth (AstraZeneca)
11:10 'A 1H NMR study of crystal nucleation in solution'
Chris Hunter (University of Sheffield)
11:50 COFFEE
12:10 'Crystal structure analysis as an aid to salt selection studies'
Gareth Lewis (AstraZeneca)
12:40 'A crystallisation/crystal
engineering approach to aid salt selection'
Ed Collier (UMIST)
13:10 LUNCH
14:10 'The hunt for
polymorphs using PXRD'
Chris Gilmore (University of Glasgow)
14:50 'Ab initio vibrational circular
dichroism (VCD) and optical rotation: new tools for the
determination of absolute configuration'
Doug Minick (GSK)
15:40 'High-pressure
recrystallisation - a new method of screening for polymorphs and
solvates'
Colin Pulham (University of Edinburgh)
16:20 Concluding Remarks & discussion.
16:40 CLOSE
Fees : £30.00 (non members £45.00) - Concessions (students/retired/unemployed): £15.00 (non members £22.50)
Download a Printable version of the PROGRAMME(26kb PDF file).
Please register for this meeting using our on-line REGISTRATION FORM. NOTE: Registration closes at 5pm on Thursday 30th September and your fees must be paid by BACS or go into the post first class that day!
The location
Air & Rail travel - download a 93kb PDF map and instructions note an agreed taxi fare of �25 operates from Manchester airport.
Car drivers - download a 256kb PDF format map with good details of road signs.
Local organiser:
Dr Anne Kavanagh
PAR&D AstraZeneca,
Silk Road Business Park,
Macclesfield, Cheshire.
SK10 2NA
Tel:01625 517454
Email: anne.kavanagh@astrazeneca.com
4th November 2004 Autumn Meeting "DIY
Crystallography",
School of Crystallography, Birkbeck College, London.
Glaxo-Wellcome Lecture Room - B62 in extension building.
Sponsored by  Maps and Local hotels.
Please register for this meeting using our on-line REGISTRATION FORM FREE PLACES for CONCESSIONS!
PROGRAMME Download a printer friendly 25 kb PDF version of the programme.
10:30 - COFFEE
10:55 - Introduction - Jeremy Cockcroft (BBK)
11:00 - Building a High-Resolution Powder Diffractometer - Chiu Tang (DIAMOND)
11:40 - Oscillating a Sample for In-situ Furnace Studies - Olivier Leynaud (BBK/UCL)
12:00 - Industrial Polymer Processing Studies using Combined SAXS/WAXS Techniques - Ellen Heeley (Sheffield)
12:30 - LUNCH
13:30 - Multiple Sample Holders - Mark Farnworth (Pilkington)
13:50 - A Multiple Sample X-ray Diffractometer with Photographic and Counter Recording - Jamie Nelson (Nelson Gemmological Instruments)
14:10 - MATLAB - A Software Tool for Quick Data Analysis - Christopher Hall (Edinburgh)
14:40 - Sharing Software Toolkits - Ron Ghosh (ILL)
15:00 - TEA
15:30 - DIY Single Crystal Structure Analysis - Richard Cooper (Oxford)
15:50 - CCP14 Developments - Richard Stephenson (UCL/BBK)
16:10 - Making do without the PDF - David Beveridge (Ilford Imaging UK Ltd)
16:25 - CRYSFIRE Update - Robin Shirley (Surrey)
16:40 - Jeremy Cockcroft (BBK) - Concluding Remarks
16:45 - FINISH
Local organiser:
Dr Jeremy K Cockcroft
Birkbeck College,
Department of Crystallography,
Malet Street, London,
WC1E 7HX
Tel:020 7631 6849
Email: cockcroft@img.cryst.bbk.ac.uk
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Industrial Group of the BCA