Virtual Organisations and Grids: Applications, Patterns and Infrastructures
The GOLD project
Virtual Organisations and Grids: Applications, Patterns and
Infrastructures
Service-Oriented Middleware Infrastructure for
Highly Dynamic Virtual Organisations
Newcastle University • Lancaster University • SOCSA • NEPIC • Britest • CPACT • Insight Faraday Partnership • ONE
November 2006
Rob Smith
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
Virtual organisations
●
A virtual organisations is virtually an organisation
–
It exhibits some properties of a conventional organisation
without actually being one
–
Coordination, collaboration, cooperation
–
Information management
–
Security
–
Trust
November 2006
Rob Smith
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
Virtual organisations
●
In conventional organisations, these properties are provided by
internal structures
–
●
In VOs, organisational boundaries make this difficult
–
●
Management hierarchies, reporting structures, processes etc.
Different processes, technology, culture, etc.
Common infrastructure (middleware) is required to overcome
these organisational boundaries and enable a coalition to behave
more like a conventional organisation
November 2006
Rob Smith
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
Introducing GOLD
●
●
GOLD is developing service-oriented middleware
infrastructure supporting highly-dynamic heterogeneous
virtual organisations
–
Based on industry requirements; delivering to industry
partners
–
The infrastructure approach to VOs addresses the widest
possible range of requirements
Application area:
–
R&D projects in the fine chemicals industry
–
Highly generic and applicable to a wide variety of other
industry sectors
November 2006
Rob Smith
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
Industry requirements
●
Ethnographic studies of organisations in the chemicals industry have
revealed the following properties:
–
Complex
●
–
Highly dynamic
●
–
Everyone does everything differently
Secretive
●
November 2006
Information in word files, on paper, on a shared drive…
Heterogeneous
●
–
Strong requirements on information capture and flow, a lot of information to
manage
Lacking in standards/abstractions for information and control
●
–
Almost everything about a project can change throughout its lifecycle, including
its goals
Information rich
●
–
Many partners, many stages, each stage highly complex
Even business processes are seen as key success factors
Rob Smith
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
Industry requirements
●
Tight integration
–
–
–
●
Loose coupling
–
–
●
●
●
Management of information and activity across organisational
boundaries
Rich information processing
Visibility of information/activity within organisational units
Dynamism
Heterogeneity
Wide variety of alternative deployment requirements
Companies unable or unwilling to adopt new technological,
procedural, cultural or operational systems in order to
participate in VOs
Time and cost limiting factors of VO adoption
November 2006
Rob Smith
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
Problems: Information
Processdevelopment phase
Use ofphysical proper tydossier
PH YSIC AL PRO PERT Y
D OSSI ER
HAZOP
I NING
L
M ATERI AL
SAF ETY DATA
SH EET
Safety information
Physical property dossier
CHEMICAL PURITY
SYNONYMS
BOX 3
CUSTOMERS
PRELIMINA RY
MARK ETING
INFORMA TION
PRODUCT
SPECIFICATION
TARGET SALES
AS HYPROTECH
DATABASE
PHYSICAL
PROPERTIES
PRICE
HUMAN SAFETY
ASSESSMENTS
COSHH
COSHH ASSESSMENT
ASSESSMEN T
HU MAN HEALTH
HAZARD
ASSESSMENT
BOX 6
SAFETY
INFORMATION
GMP REQUIREMENTS ( EU)
BOX 4
CAS NUMBER
EINECS REGISTRATION
PHYSICAL
PROPERTIES
CH IP CLASSIFIC ATION
BOX 6
PRODUCT LEGAL
REGISTRATION &
CLASSIFACTION
OTH ER PR OD UCT
LEGAL REGISTRATION
HOL
D I NGVESSE
LS
F IL T RAT ION
CH IP 96
CRYST
A L L IS AT ION
LEG ALP ROD UCT
RE GIS TRATI ON
CENT RIF UGE
T RANS
F ER PUMPS
GAS SCRUB
B ERS
ESTIMATION
METHODS
I NE
R T GA
S BL
A NKET ING
HEAT EXCH
A NGERS
PR OCES SE NGI NEER IN G
DE SIG N
DATA
FR AGMENTS
(Various Sources)
BO X17
ST EA
M/ W A
T ER I NL
ET S
SOL
I DS CHARGING
BOX 6
MATERIAL SAFETY
DATA SH EET
CH EMI CAL PRO CESS
DE VELOP MEN T
NONS ‘ 93 COMPLIANCE (EU)
PLANT SAFETY
ASSESSMENTS
SAFETY IN FORMATION
COLLATION
OTHER COUNTRIES REGIS.
PLANT HAZARD
ASSESSMENT
PATENT REGISTRATION
THEMOCHEMICAL
HAZARD TESTING
CHIP96 CLASSIFICATION ( EU)
SELECT THE
DESIRABLE
PHYSIC AL
PROPERTIES
TO BE
REPORTED
PHYSICAL
PROPERTIE S
MEDL INE
TSCA REGISTRATION (USA)
ACADEMIC
LITERATURE
REFERENCES
BOX 1
Y PE
T
COST
HE
AD T
A NKS
X T RACT ION
E
TOXLINE
CURRENT USES
PRELIMINA RY
MANU FACTURING
INFORMA TION
DIS T I L AT ION
DRYING
MERC K INDEX
BOX 5
CUSTOMS & EXCISE
POSITION OF
PRODUCT IN ITS
LIFE CYCLE
ENGIN EERING
R OCESS
P
DAT A
A SOCIA T ED
S
EL E
MENT S
VACUUMPUMPS
PHYSICAL PROPERTY
DOSSIER
EH 40 (OEL’s)
SAFETY
BOX 4
INFORMATION
MAT ERIA L OF
CONST RUCT ION
HE
A T , COOL ,CHI L
PRESSURE RAT ING
UNIT
T PE
Y
TSCA REGISTRATION
SYNONYMS
GMP REQUIREMENTS ( FDA)
ENVIRONMENTAL
BOX 2
COMPETITORS
PRE
S SURE
W O
RK UP V E S SE
L
HEAT EXCH
A NGERS
RTECS
BOX 1
LOCATION OF
MARKETS
PROJEC T
EVALUA TION
CO SH H
AS SES SMENT
THE RMA L
STA BILI TY DATA
BO X18
SAFETY
INFOR MATION
COLLATION
CH EMIC AL N AME
PHYSICAL PROPERTY
SPECIFICATION
CAS NUMBER
MARKET SIZE
OL UME CAPACIT Y
V
HE
X SURF
A CE
Y PE
T
RE
A CT OR
BOX 1
2
Preliminary manufacturing information
CHEMICAL NAME
Engineering process data
NEWO R EXIS T ING
DATA BASE
NUMBER
ALL RISKS ASSESSMENT
PDC 2
HAZOP
CORR OSION H AZAR D
HAZAN
FLASH POINT HAZAR D
SUPPLY
EXPLOSION HAZARD
TRANSPORT
ERGONOMIC DESIGN
BOX 18
Process research phase
Process research
Detailed analysis and evaluation
Development phase
Transition from research to development
Da ta c om pi l ed
o ve r ti m e to
b ui l d p roc e ss
d ev el o pm e nt
d os si e r
NO
PROCESS RES EARCH
(Initial E xperimental )
Ch emistry
wo rks?
Y ES
RAW MAT ERIAL
SELECT ION
UNIT
OP ERATI ON
CATALYST
QUENCH
REA CTI ON
S EP ARA TI ON /
WORK UP
REACT ION
MECHANISM
P URI FI CA TI ON
PROC ESS
RESEARCH
Exp e rim e nta l
ROUT E
ANA LYSER
WORKUP
P RE P ARA TIO N
PURIFICAT ION
DEFINE
SYNTHETIC
RO UTE
Ch em i stry
wo rks
SIMU LTANEOU S
PROC ESS
DEVELOPM ENT
ROUT E
ANA LYSER
OPERATING
CONDITI ONS:
RE ACTOR
PREPARATION
TEMPERATURE
PRESSURE
AGITATI ON
TIME
VOLUME
CLEA NING
Project launch
PROJECT
LAUNH
UNIT OPE RATION
PROCESS OUTLI NE
PROCESS
BOUNDARIES
MASS BALANCE
WA STE DISPOSA L
WORK UP
CHEMICALS
OPERATING
CONDITI ONS:
TEMPERATURE
PRESSURE
AGITATI ON
TIME
VOLUME
pH
LIQUI DS
SOLIDS
THERMO
CHEMIST RY
UNIT OPE RATION
PROCESS OUTLI NE
PROCESS
BOUNDARIES
MASS BALANCE
UNIT OPE RATION
PROCESS OUTLI NE
PROCESS
BOUNDARIES
MASS BALANCE
ANALYTICAL
MET HODS
ANALYSIS
OPERATING
CONDITI ONS:
OPERATING
CONDITI ONS:
TEMPERATURE
PRESSURE
AGITATI ON
TIME
VOLUME
SOLVENT
TEMPERATURE
PRESSURE
AGITATI ON
TIME
VOLUME
TOTAL COST
BO X 9
ST OICHIO MET RY
REACT ION
ANALYSIS
Auto m ati c ISO 9 00 1
c om pl i an t rec ord a nd
a rch iv e o f ex p eri me n ts
MASS BALANCE
VOLUME
REQUIREMENTS
Process development phase
Operational analysis
Reaction Mechanism
React ion Ki net ic Data
Mass Balance
T hermo chem istry
Chemical Yield
Physical Properti es
Process Outline
COSHH
ROUTE
AN ALYSER
B ack of envelope
design
Selection process
PUR POSE
PLANT
REQ UIREMENT S
AND DESIGN
SCOPE
Exper ience a nd
kno wled ge
ORGANISATION
Best
synthetic
rou te
sel ected
TIME
COST
Lit erat ure and patent
search
Process research phase
DEMAND FOR
NEW
PRODUCTION
PERSONNEL
PAC 10
PAC 11
BOX 11
BOX 12
Product ion P lanning &
Throughput Analysis
BOX 13
Raw Materi al Cost s
PAC 5
Chemical Process Data
M ore da ta
re qu i red
Processing Costs
PAC 6
Engineering Process Data
Safety Evaluation
BOX 14
Environmental I . A .
BOX 5
BO X 1 0
Basic Operating Procedures
DIRE CT
MANUFA CTURING
COS TS
INDI RECT
MANUFA CTURING
COS TS
PAC 7
TOTAL
MANUFA CTURING
COS TS
OVERALL
AN ALYSIS
In house knowledge
S YNONY MS
2
ST RUCTURE
3
CA S NUMBER
4
RA W MAT ERI AL
S PECIF ICATION
5
QUANTI TY
RE QUI RE MENTS
6
PROCESS & INSTRUM ENTATION
DI AGRAM S
M6
Changes to
intermediates?
Change protecting
group?
Choice of Solvent?
PREPARE FLOW SHEET
CHEMICAL PURI TY
9
P HYS ICAL P ROP ERTY
S PECIF ICATION
10
VENDOR
INFORM ATION
DESI GN HEAT COOL CHILL SYSTEM
M6
S AFE TY
INFORM ATION
17
ENVI RONMENTAL
18
M5
LEGAL
RE GIST RA TION/
CLAS SIF ICATION
PRICE
12
AV AILA BILI TY
13
LE AD TI ME
14
RA W MAT ERI AL
S PECIF ICATION
15
CREATE OPERATI ONS SHEET /LIST
REGARDING EACH STAGE CONSIDER
FILLING, DRAINING, CLEANING TIMES
M6
Are the intermediates
available in bulk?
M1
Results fed into
route analyser to
refine model and to
suggest further
improvements
INI TIAL PLANT M4
LAYOUT
M
HAZO P
STUDY
Temperature
MARKETING
DOSSIER
Raw Material Costs
PROJECT
EXECUTIVE
REPORT
PRELI MINARY EQUIPM ENT
REQUIREM ENTS LIST
PLANT MODIFI CATIONS
REQUIRED
M5
M5
16
By-product s
produced?
NO
NEW
PLANT ?
M5
SYNONYMS
P2
Demand on
existing
manufacturing
equipment
NO
IGNORE
SECT ION
YES
Availability of existing plant
Capacity
Modifications to existing plant
P4
CHEMI CAL
PURITY
ISOLATE
&
I.D.
PHYSI CAL
PROPERTI ES
P6
QUANT ITY
GENERAT ED
P7
SAF ETY
INFO RM AT ION
LEG AL
REGISTRATI ON/
CLASSIFI CAT ION
RESALE
P12
RECYCLE
P13
POTENTI AL
BUYERS
P15
PRI CE
P16
Demand on
support services
Instrumentation
QC and PC support
Logistics and warehousing
BOX 16
M ETHOD OF
RET URN
P18
Can t he by-product
be used ?
NO
Energy - steam, cooling water
Utilities - nitrogen, compressed air
Electricity
Demand on
utility supply
YES
ST OICHIO MET RY P11
T O KEY REAGENT
New process operators
Training for new process
How much, by whom
Engineering & maintenance
USER
P17
SPECIFI CAT ION
P9
ENVI RONMENT AL P10
HAZARD
19
Manning
Demand for new
production
personnel
Phase changes
YES
SELECT
EXIST ING PLANT
P1
CAS NUMBER
BY PRODUCTS
Concentration
Resource demand assessment
Organic synthesis
CHEM ICA L NA ME
STRUCTURE
Pressure
M8
7
PA CK AGING
S PECIF ICATION
PAC 14
Change leaving
group?
Rate & Order of addition
of reagent & catalyst?
Agitation
COST
ESTIMAT E
PAC 13
Operating Procedures
Process research phase
Change salt?
Stoichiometry- ratio of
Reagents/Catalyst?
Are the raw materials
available in bulk?
11
CATALY ST
ST OICHI OMETRY
COSHH
ASSESSMENT S
PAC 12
FINAL MANUFACTURING
DOSSIER
Process Costs
Process Time
Customers i nformat ion
on process
V ENDOR LI ST
M9
NEW
TECHNOLOGY
Production Planning and
Throughput Analysis
PAC 8
For Automat ed P lant: conversion
of P rocess t o a Sof tware Code
ROUTE
ROUTE
ANALYSER
ANALYSER
pH
1
DEMAND
ON
UTILITY
SUPPLY
Selection of the Catalyst
Is the reaction
mechanism understood?
M1
Organic synthesis
CHEMICAL NA ME
DEMAND ON
SUPPORT
SERVICES
Selection of Reagents
SCALE UP CONSI DERING T HERM AL
SAFETY, YI ELD AND BAT CH TIM E
PERF ORM MASS & ENERG Y BALANCES
RA W MAT ERI AL
SELECTION
Retrosynt hesis
analysis
DEMANDS ON
EXISTING
MANUFACTURING
EQUIPMENT
Chemical Process Data
Preliminary check
PROCESS
DEVELOPMENT
Optimise Yield &
Process Costs
Has the reaction gone to
completion?
What and how are the
by-products formed?
NUMBER O F PROCESS ST EPS
P EOP LE
Research chem ist s
A nalyt ical chem ist s
P rocess engineers
Chemi cal engineers
P roducti on staf f
S upply chain staf f
S afet y off icer
E nvironm ental off icer
Marketi ng
QUALITY
MANUFACTURING
PROCESS
Environmental I. A.
PROCESS
DEVELOPMENT
Preliminary
Check
FROM PROCESS RESEARCH
Re view mee ti ng
B rai nst orm ing
BOX 16
DISTRIBUTION
DISPOSA L OF OLD
STOCK
Safety Evaluation
Kno wn pla nt
li mitations
Synthetic rou te
op ti ons
n
PROCESS YIELD
R OUTE ANALYSIS
Preliminary engineering
TOTAL COST
Project
objectives
UNIT
OPERATION
DEFINITIO N
2
TRANSP ORTATI ON
Engineering Process Dat a
PR ELIMINARY EN GINEERIN G
OPERATIONAL ANALYSIS
Exa m in e
a lt e rna ti ve rou tes
o rr ea ss ig n
p roj e ct tea m
STORA GE LIFE
Physical f orm of final
product prescribes
downstream handl ing
S tag e
Anal ysis
BOX 16
WARE HOUS ING &
STORA GE
FI NAL
P RO DUCT
n
M AKE OR BUY
ASSESSMENT
S tag e
Anal ysis
1
Re j ec t p ro je ct
UNIT OPE RATION
PROCESS OUTLI NE
PROCESS
BOUNDARIES
MASS BALANCE
PREPARATION
PRECHARGING
PREMIXI NG OF
RE AGENTS
UNIT
OP ERATI ON
2
S tag e
Anal ysis
REACT ION
KINETICS
RA W MA TE RIA LS :
UNIT
OP ERATI ON
1
SOLVENT
BY PRODUCT
I.D.
Resource demand assessment
PACKAGI NG
REAGENTS
PRODUCT
SPECIFICAT ION
ROUTE
ROUTE
ANALYSER
AN
ALYSER
P RE LIM INA RY
S TAG E DEFI NIT ION
Consolidated analysis
CUSTOMER
SUPPLY
SPE CI FICA TION
Modi fications to accommodat e
downstream processing
BOX 10
M ore da ta re q ui re d
REA CTI ON S CHEM E
COSHH
Pro je ct te am rev ie w to
d ete rmi n e e co n om ic
v ia bi l i ty of p roc es s
ROUTE
ROUT E
AN
ALYSER
ANALYSER
PROCESS RESEARCH
Organic Synthesis
PRELIMINARY
PROCESS DES IGN
Integration of unit operations
DI SPOSAL
REQUIREMENTS
P14
COST
P19
Raw materials stocks
Work in progress
Finished goods
Working capital
requirements
Process development phase
8
Definition of boundary conditions
Cost of new technology
NEW
TECHNOLOGY
Process research phase
PROCESS
DEVELOPMENT
Define Boundary
Conditions
Competitors
Organic synthesis
Solvent
COM P
AN YNAME
LOCATIO N
CHEMICAL NAME
1
SYNONYMS
2
STR UCTURE
3
CAS NUMBER
PRODUCT
SPECIFICATION
5
PACKAGING
SPECIFICATION
16
SAFETY
INFORMATION
CHEMICAL PURITY
9
PHYSICAL PROPERTY
SPECIFICATION
10
PRE LIM IN ARY
MA RKE TING
I NFOR MATI ON
P RODUCT S PEC
Effect of higher/lower Temperatures
Effect of hi gher/lower Pressure
Effect of higher/lower pH
SIZE OFCOM PANY
SALESVOLUM E
MARKET SHARE
CUSTOMER BASE
BOX 11
DEFINE
CRITICAL
PARAMETERS
P HY SI CA L PROPE RT Y
DOSSI ER
B Y-PRODUCT DAT A
CHEMI CA L PROCESS
DAT A
Effect of varying agitation
COMPANY SIZE
LOCATION
PATENT
REFERENCE
NUMBER
CURRENT
SUPPLIERS SHARE
CORROS ION DAT A
ANALY TICAL METHODS
DOSSI ER
STA BI LI TY STUDIES
CRITI CA L PA RA MET ERS
PRODUCTI ON
CAPACI T
Y
ANNUAL USAGE
THERMO-CHE MIS TRY DAT A
PRELIMINAR Y
MARKETING
INFORMATION
CUSTOMERS
BOX 3
USE OF PRODUCT
INFORMATION
CUSTOMER
PRODUCT
SPECIFICATION
BOUNDARY CONDITI ONS
CONT INGENCY P LANS
CLEA NING PROCEDURES
November 2006
COMPANY NAME
Y IELD DAT A
M ASS B ALANCE
V OLUME ANA LY SI S
Effect o f exten ded proce ssin g time
L17
LEGAL
REGISTRATION/ L19
CLASSIFICATION
Customers and market locations
RAW MATE RI AL
REQUIREME NT S
Ch anges to order of addi tio n of
reagents or catal yst?
COM PETI
BOX TO
2 RS
ENVIRONMENTAL L18
CO NTINGENCY
PLANS
Cata lyst
Chan ges to ra te of add iti on o f reagent
or cata lyst, too fast too slow?
PRIC E
PRODUCT
SPECIFI CATION
TEC
NOLO
UH
SED
INGY
MANUFACTUR E
PATENTSI NUSE
Licensing
Training and staff costs
Chemical process data
Reagen ts
PR
OEN
DUAM
CTE
TR
AD
PRODUCT
CATALOGUE
NUMBER
4
RAW MATER IAL
SPECIFICATION
Changes to Stoi ch iometry
Overcharging/Underchargi ng
Process development phase
Rob Smith
SUPPLY CHAIN
PREFERENCE
CUSTOMER
ANALYSIS
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
Problems: Dynamism
●
●
Everything may change throughout a project’s lifecycle
–
Partners
–
The basis of relationships between partners
–
The goals of the VO (what it is trying to do)
–
The objectives of the partners (how they are going to do it)
The basis for change will probably not be understood in advance
–
The implications of a missed objective or changed goal depends on
the context of the running development process: this will not generally
be known in advance
–
Unexpected disruptions might result in novel decisions
November 2006
Rob Smith
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
Problems: control
●
●
●
Inability to manage and impart knowledge across
multiple organisations
Little control over outsourced components
Poor visibility of activity across organisational
boundaries
November 2006
Rob Smith
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
Service oriented infrastructure approach
●
●
●
Set of fundamental services for
overcoming organisational
boundaries, enabling security,
trust, control and resource
management in VOs
Application
Deployment
Services
Flexible, dynamic deployment enabling scalability and
the provision of 3rd-party value-added services
Applications demonstrating VO functionality
November 2006
Rob Smith
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
Overview of GOLD services
Security
Authentication/Authorisation based around a RoleBased Access Control Scheme
Storage
Interface to GOLD distributed information model
Resource
November 2006
Resource management: people, companies, VO-level
roles…
Policy
Management of XACML access control policies
Project
Management and coordination of project-related
resources: projects, tasks, assignments, project roles…
Rob Smith
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
Deployment scenarios
November 2006
Rob Smith
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
Visulalisation
GOLD
notification
service
Deployment
View
View
Manager
Project
View
November 2006
Rob Smith
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
GOLD architecture
●
The combination of a loosely-coupled service oriented
approach with dynamic deployment scenarios is the
basis of highly-dynamic VOs in GOLD
November 2006
Rob Smith
‹#›/15
Virtual Organisations and Grids: Applications, Patterns and Infrastructures
The future
●
Personalisation of services to individuals
●
Value-added services from 3rd parties
●
Tool support for dynamic deployment
●
Highly complex scenarios
Sure Start
Clinic
Parole
service
Barnardo’s
Mary
Pete
Abuse clinic
November 2006
Prison
Service
Rob Smith
‹#›/15