NOT FOR QUOTATION WITHOUT PERMISSION OF
THE
AUTHORADVANCED DECISION-ORIENTED SOFTWARE
FOR THE MANAGEMENT OF HAZARDOUS SUBSTANCES:
Part
11:A Demonstration Prototype System
K u r t F e d r a
C o l l a b o r a t i v e P a p e r s r e p o r t work which h a s not been performed solely at t h e International Institute f o r Applied Systems Analysis and which h a s received only limited review. Views or opinions e x p r e s s e d h e r e i n d o not necessarily r e p r e s e n t t h o s e of t h e Insti- t u t e , i t s National Member Organizations, or o t h e r organizations supporting t h e work.
INTERNATIONAL INSTITUTE FOR APPLIED SYSTEMS ANALYSIS 2361 Laxenburg, Austria
The r e s e a r c h described in this r e p o r t is sponsored by t h e Commission of t h e European Communities' (CEC) Joint Research Centre (JRC), I s p r a Establishment, under Study Contracts No.2524-84-11 ED ISP A and No.
2748-85-07 ED ISP A. I t w a s c a r r i e d out by IIASA's Advanced Computer Applications (ACA) p r o j e c t , within t h e framework of t h e CEC/JRC Industrial Risk Programme, and in cooperation with t h e Centre's activities on t h e Management of Industrial Risk.
The a u t h o r i s indebted to Drs. G. Volta, B. Versino, and H. Otway f o r t h e i r continuing s u p p o r t and constructive criticism.
Special thanks are due t o t h e ACA p r o j e c t team, Stefan Bosnjakovic, Anna John, Elisabeth Weigkricht, and Lothar Winkelbauer, and t h e visiting or guest s c h o l a r s J. Bartnicki, H.4. Diersch, M. Grauer, S. Kaden, D.P.
Loucks, M. Posch, G. Romer, T. Rhys, C. Schiinowitz, M. Skocz, K. S t n e p e k , R. Vetschera, M. Zebrowski and W. Ziembla who contributed substantially to this project.
The opinions expressed in t h e r e p o r t are those of t h e a u t h o r and d o not necessarily r e f l e c t t h o s e of IIASA o r of IIASAss National Member Organi- zations. Neither t h e Commission of t h e European Communities, t h e Joint Research Centre, I s p r a Establishment, n o r any person acting on behalf of t h e above i s responsible f o r t h e use which might be made of t h e information in this r e p o r t .
TABLE OF CONTENTS
1. The S t r u c t u r e of t h e Demonstration Prototype 1.1 Information Management and Decision Support 1.2 Model Integration and U s e r Interface
1.3 System Implementation
1.4 The Scope of t h e Demonstration Prototype System 2. Components of t h e Demonstration Prototype
2.1 Master Menu Level
2.1.01 Chemical Substances D a t a Bases 2.1.02 Industrial Accident Reports 2.1.03 Legislation and Regulations
2.1.04 Regional and Geographical D a t a Bases 2.1.05 Chemical Industry D a t a Bases
2.1.06 Chemical Industry Analysis 2.1.07 Chemical P r o c e s s Plant Analysis 2.1.07.1 The Symbolic P r o c e s s Simulator 2.1.07.2 Chemical P r o c e s s Optimization 2.1.08 Waste: Treatment and Disposal 2.1.09 Waste: Industrial Waste Streams 2.1.10 Transportation System Analysis 2.1.11 Environmental Impact Assessment 2.1.11.1 Environmental Models Master Menu
2.1.11.2 TOXSCREEN Multi-Media Screening Level Model 2.1.11.3 FEFLOW 2 D Groundwater Pollution
2.1.11.4 LRAT Long-Range Atmospheric Transport 2.1.12 Multi-Criteria Data Evaluation and Optimization 2.1.13 Explain Current Options
2.2 Implementation S t r u c t u r e : File Systems 2.3 Software Tools and Libraries
3. Status and Outlook
3.1 Components of t h e Demonstration Prototype: Operational Modules 3.1.01 Graphical U s e r Interface, Menus
3.1.02 D a t a Bases
3.1.03 Simulation/Optimization Models 4. References and Selected Bibliography APPENDIX:
A1. Summary P r o j e c t Description A l . l Background
A1.2 P r o j e c t Objectives
ADVANCED DECISION-ORIENTED SOFTWARE
FOR THE
MANAGEMENT
OF HAZARDOUS SUBSTANCES:Part
IL-A
Demonstration Prototype SyatemKurt
Fedra1.
THESTRUCTURE
OFTHE
DEMONSTRATIONPROTOTYPE
This r e p o r t describes t h e implementation of
a
f i r s t demonstration prototype of a n integrated, interactive, computer-based decision support and information s y s t e m f o r t h e management of hazardous substances. Design guidelines and t h e overallstructure
of t h e system have been described in Fedra (1985).Recognizing t h e potentially enormous development e f f o r t required and t h e open-ended n a t u r e of such a project.
w e
have opted f o r a strategy t h a t takes advantage of t h e l a r g e volume of scientific software a k a a d y available. A modular design philosophy enablesus to
develop individual building blocks, which are valu- able products in t h e i r own right, in t h evarious
phases of t h e project. This also makes i t possibleto
interface and i n t e g r s t e t h e modules ina
framework which, above all. hasto
b e flexible and easily modifiable with growing experience ofuse.
The demonstration prototype can b e constructed at relatively
low cost
and only incremental effort, by using an open a r c h i t e c t u r e ooncept f o r t h i s framework, witha
functional and problem-oriented, r a t h e r than astructural
and methodologi- cal designThe system design combines several methods of applied. systems analysis and operations r e s e a r c h , planning and policy sciences, and artificial intelligence into one fully integrated software system. The basic objective i s
to
provide a broad group ofusers
d i r e c t and easyaccess to
these largely formal and complex methods (see Appendix A l f o r a summary description of t h e overall project).1.1 Information Management and Decision Support
The s h e e r complexity of t h e management of hazardous substances and related r i s k assessment problems calls f o r t h e use of modern information processing tech- nology. However, most problems t h a t go beyond t h e immediate technical design and operational management level involve as much politics and psychology as science.
The demonstration prototype system described h e r e is based on inJ'ormation management and model-based d e c i s i o n s u p p o r t . I t envisions e x p e r t s as i t s u s e r s , as w e l l as decision and policy makers, and in f a c t , t h e computer is seen as a media- t o r and t r a n s l a t o r between e x p e r t and decision maker, between science and policy.
The computer is thus not only a vehicle f o r analysis, but even more importantly, a vehicle f o r communication, learning, and experimentation.
The t h r e e basic, though inseparably interwoven elements, are
t o supply j'actual information, based o n e x i s t i n g d a t a , statistics, and scien- tif i c evidence,
t o assist in d e s i g n i n g d t e r n a t i v e s and to assess t h e likely consequences of such new plans o r policy options, and
t o a s s i s t in a systematic m u l t i - c r i t e r i a e v a l u a t i o n a n d comparison of t h e alternatives generated and studied.
The framework f o r e s e e s t h e selection of c r i t e r i a f o r assessment by t h e u s e r , and t h e assessment of scenarios o r alternative plans in terms of t h e s e c r i t e r i a . The evaluation and ranking is again done p a r t l y by t h e u s e r , where t h e machine only assists through t h e compilation and presentation of t h e required information, and p a r t l y by t h e system, on t h e basis of user-supplied c r i t e r i a f o r screening and selection.
The selected approach f o r t h e design of t h i s software system is eclectic as w e l l as pragmatic. W e use proven o r promising building blocks, and
w e
use avail- able modules wherew e
can find them. W e also e x e r c i s e methodological pluralism:any "model", whether i t is a simulation model, a computer language, o r a knowledge representation paradigm, is by necessity incomplete. I t is only valid within a s m a l l and often very specialized domain. No single method can c o p e with t h e full spec- trum of phenomena, o r r a t h e r points of view, called f o r by a n interdisciplinary and applied science.
The d i r e c t involvement of e x p e r t s and decision makers shifts t h e emphasis from a production-oriented "off line" system t o a n explanatory, learning-oriented style of use. The decision s u p p o r t and e x p e r t system i s as much a tool f o r t h e e x p e r t as i t is a testing ground f o r t h e decision maker's options and ideas.
In f a c t , i t is t h e i n v e n t i o n and definition of options t h a t is at least as impor- t a n t as t h e estimation of t h e i r consequences and evaluation. For planning, policy and decision making, t h e generation of new species of ideas i s
as
importantas
t h e mechanisms f o r t h e i r selection. I t is such a n evolutionary understanding of plan- ning t h a t t h i s software system is designed t o support. Consequently, ease of use and t h e necessary g l d b i l i t y a n d e z p r e s s i v e power of t h e software system are t h e c e n t r a l focus of development.1.2
Model Integration andUser
InterfaceThe basic elements of a model-based decision s u p p o r t a n d information system a s outlined above
are
t h e following.From a u s e r p e r s p e c t i v e , t h e system must f i r s t and foremost b e a b l e t o a s s i s t in i t s own u s e , i.e., explain what i t can do, and how i t c a n b e done. The basic con- ceptual components of t h i s system are t h e following:
the i n t e r a c t i v e u s e r i n t e r f a c e t h a t handles the dialog between t h e u s e r s ( s ) and t h e machine; t h i s i s largely menu driven, t h a t is,
at
any given point t h e u s e r is o f f e r e d s e v e r a l possible actions which h e c a n select from a menu of options provided by t h e system;a t a s k s c h e d u l e r o r control program, t h a t i n t e r p r e t s t h e u s e r r e q u e s t
-
and,in f a c t , helps t o formulate and s t r u c t u r e i t
-
and coordinates t h e n e c e s s a r y t a s k s (program executions) t o b e performed; t h i s program contains t h e"knowledge" about t h e individual component software modules and t h e i r inter- dependencies;
t h e control program c a n t r a n s l a t e a u s e r r e q u e s t into e i t h e r :
-
a data/knowledge b a s e query;-
a r e q u e s t f o r "scenario analysis"t h e latter will b e t r a n s f e r r e d t o
a problem generator, t h a t a s s i s t s in defining s c e n a r i o s f o r simulation and/or optimization; i t s main task i s t o elicit
a
consistent and complete set of specifi- cations from t h e u s e r , by iteratively r e s o r t i n g t o a d a t a b a s e a n d / o r knowledge base t o build up t h e i n f o r m a t i o n context o r f r a m e of t h e scenario.A s c e n a r i o i s defined by a delimitation in s p a c e and time, a
set
of (possibly r e c u r s i v e l y linked) p r o c e s s e s , a set of control variables, and a set of c r i t e r i a t o d e s c r i b e results. I t i s r e p r e s e n t e d bya s e t of process-oriented models, t h a t c a n b e used in e i t h e r simulation o r optimization m o d e . The r e s u l t s of c r e a t i n g a s c e n a r i o and e i t h e r simulating o r optimizing i t are passed back t o t h e problem g e n e r a t o r level through a
eucLluation a n d comparison module, t h a t attempts
to
evaluate a s c e n a r i o according t o t h e l i s t of c r i t e r i a specified, and a s s i s t s in organizing t h e r e s u l t s from s e v e r a l scenarios. For t h i s comparison and t h e presentation of r e s u l t s , t h e system u s e s agraphical d i s p l a y a n d report generator, which permits selection from a v a r i e t y of display s t y l e s and formats, and, in p a r t i c u l a r , f a c i l i t a t e s viewing t h e r e s u l t s of t h e s c e n a r i o analysis in g r a p h i c a l form. Finally, although not d i r e c t l y realized by t h e u s e r , t h e system employs a
s y s t e m s a d m i n i s t r a t i o n module, which i s largely responsible f o r housekeep- ing and learning: i t attempts t o i n c o r p o r a t e information gained during a p a r - t i c u l a r session into t h e permanent data/knowledge b a s e s and t h u s allows t h e system t o "learn" a n d improve i t s information background from o n e session t o t h e next.
These conceptual elements cannot d i r e c t l y b e mapped into corresponding software modules; most of t h e above d e s c r i b e d functions are embedded in s e v e r a l program elements. Also, i t mcst b e pointed o u t t h a t most of t h e s e elements a r e linked recursively. For example, a s c e n a r i o analysis will usually imply s e v e r a l data/knowledge b a s e q u e r i e s in o r d e r t o make t h e f r a m e and n e c e s s a r y p a r a m e t e r s t r a n s p a r e n t . Within e a c h functional level, s e v e r a l i t e r a t i o n s are possible, and
at
any decision breakpoint t h a t t h e system cannot resolve from i t s c u r r e n t goal s t r u c t u r e , t h e u s e r can specify alternative branches t o be followed.
It is also important t o note t h a t none of t h e complexities of system integration a r e directly obvious t o t h e user: irrespective of t h e task specified, t h e style of t h e user interface and interactions with t h e system are always t h e s a m e
at
t h e u s e r end.Individual modules of t h e system a p p e a r as self-contained, autonomous enti- ties. It must b e possible t o select and r u n any of them in random sequence. How- e v e r , much of t h e system's usefulness derives from t h e integration of i t s com- ponent elements. The complexity of this integration, t h e multitude of logical and practical problems resulting f r o m t h e combinatorial explosion of possible options and t h e i r prerequisites and dependencies, as w e l l as t h e heterogeneity of t h e com- ponent elements make i t necessary t o completely automate t h e dynamical inter- dependency of options.
In t h e prototype, s e v e r a l examples and techniques of module integration are implemented. A s a simple example, d a t a bases t h a t provide input t o simulation modules can also be accessed through special interactive browsing programs t o examine t h e i r contents in detail (compare 2.1.01 and 2.1.07).
Simulation models t h a t r e q u i r e input which may b e predetermined by o t h e r models, o r specifications resulting from t h e browsing of data bases (defining a current problem context o r frame) use pass files t o obtain such s t a r t u p informa- tion. If a relevant pass file exists, p r e p a r e d by any previous action of t h e system, t h e model will use i t and automatically determine i t s s t a r t u p
state
as far as t h a t i s possible f r o m t h e frame information. Any remaining control or input options, not defined in t h e f r a m e , e i t h e r default to t h e models' defaultset
of s t a r t u p conditions, or are obtained by querying t h e u s e r (compare 2.1.11.2, 2.1.11.3. and 2.1.11.4).Switching f r o m one module t o another, e.g., using t h e next module
as
a post- processor of t h e c u r r e n t module's output d a t a (compare 2.1.2) is accomplished by just selecting t h e corresponding option in t h e c u r r e n t module's menu. Since s o m e of these options depend on c e r t a i n p r e p a r a t o r y actions, as i s obvious in t h e case of d a t a post processors, t h e s e menu options can only be activated under c e r t a i n conditions. If these conditions are not given, a s h o r t message will invariably follow a n attempt t o invoke them.Alternatively, modules can use d y n a m i c menus, t h a t change with t h e program's s t a t u s and offer only those options t h a t are currently meaningful. While this may reduce f r u s t r a t i o n f o r t h e novice, i t is m o r e difficult t o use in t h e long run. Fixed menus can be used with t h e help of s y e a n d muscle memory in a fairly mechanical manner, reducing t h e necessary re-reading of t h e c u r r e n t options by t h e o p e r a t o r .
1.3 System Implementation
The demonstration prototype software system described h e r e is implemented on a SUN Microsystem's ~ ~ ~ - 2 / 1 6 0 * ) color graphics workstation. The workstation is based on a 32 bit microprocessor (MC68010), supporting virtual memory 9 ~ h e software syatern can be be upgraded t o run under the new S U N 3/160C hardware
(MC68020) and corresponding software r e l e a s e by a few modifications of t h e corresponding configuration control f i l e s (make f i l e s ) and libraries.
management, thus freeing t h e programmer from t h e onerous task of s t o r a g e optimi- zation f o r l a r g e engineering applications. An auxiliary floating point p r o c e s s o r unit s u p p o r t s f a s t floating point operations, t o make t h e interactive use of l a r g e r engineering programs feasible. The workstation o f f e r s sufficient and f a s t Winchester-based mass s t o r a g e f o r l a r g e d a t a bases and t h e i r interactive manage- ment.
The u s e r i n t e r f a c e is based on a high resolution (1152x900, i.e., 1 Mega-pixel) bit-mapped c o l o r s c r e e n (256 simultaneous c o l o r s o r up t o eight individual drawing planes).
The software system, based on UNIX (Berkeley r e l e a s e 4.2 bsd) s u p p o r t s s e v e r a l languages t o allow t h e integration of a l r e a d y existing software. This a l s o makes i t possible t o select t h e most efficient language f o r a given task. In t h e pro- totype described in t h i s r e p o r t , C , FORTRAN 77 and Pascal are used. Applications coded in LISP (Franz Lisp. Common Lisp) and PROLOG a r e under development.
1.4 The Scope of the Demonstration Prototype
When developing a complex software system, like t h e one outlined in t h i s r e p o r t , r a p i d prototyping is v e r y important. Theref o r e , t h i s f i r s t implementation is on a demonstration prototype system level. Given t h e time and r e s o u r c e limi- tation of t h e p r o j e c t , h i g h e r efficiency of t h e code had t o b e t r a d e d off f o r speed of development and ease of implementation. When dealing with l a r g e r systems, s e v e r a l of t h e prototype modules will have t o b e streamlined f o r h i g h e r p e r f o r - mance.
The main p u r p o s e of t h e demonstration prototype is t o implement s e v e r a l working examples of methods and a p p r o a c h e s proposed and discussed in t h e s t r u c - t u r e and design r e p o r t (Fedra, 1985), and t h u s provide a p r a c t i c a l s t a r t i n g point f o r prospective u s e r s t o work with. Only by being exposed t o a n operational pro- totype will u s e r s and co-developers b e a b l e t o specify in g r e a t e r detail t h e f e a t u r e s they want s u p p o r t e d by t h e system.
From t h e e n t i r e r a n g e of applications, a small, but sufficiently r e a l i s t i c and interesting subset h a s t h e r e f o r e t o be chosen f o r t h i s implementation. F o r t h e industrial origin of hazardous substances, t h e s e c t o r o r group of substances chosen i s the chlorination of phenols. H e r e many toxic compounds are involved, including t h e ill-famed 2,3,7,8-tetrachlorodibenzo-p-dioxin (2,3,7,8 TCDD), a reac- tion by-product in t h e production of 2,4,5-trichlorophenol (2,4,5 T).
A t t h e same time, a realistic f i r s t prototype implementation c a n only involve a c e r t a i n small subset of simulation models from t h e set discussed in t h e
struc-
t u r e and design r e p o r t (Fedra, 1985), t h a t would ultimately b e integrated in a r e a l production system.F u r t h e r , t h e d a t a and knowledge bases implemented are not extended t o t h e full size and t h e level of detail n e c e s s a r y f o r a real production system. Data col- lection and verification i s a major t a s k in itself, undoubtedly beyond t h e scope of this study. The p r o t o t y p e implementation will use collections of fictional and/or readily available d a t a from various s o u r c e s and
at
various levels of aggregation.However, t h e prototype examples include a r i c h collection of major geographical f e a t u r e s t h a t need t o b e r e p r e s e n t e d in any fully configured system. The d a t a used are taken from o r based upon historical d a t a from various existing regions, res- caled wherever necessary. The p r o t o t y p e implementation s p a n s t h e e n t i r e scale
Figure 1.1: ELements of the simuLation s y s t e m .
from local t o regional and up t o national and European.
The production system and information
basesof t h e prototype implementation
is reduced t o
a minimumset
of functional elements t h a t stillallow t h e descrip-
tion of t h e e n t i r e coupled system
asoutlined in Figure
1.1.The s t r u c t u r e and
framework, t h e style of t h e u s e r interface, and t h e
basicprinciples
oft h e system's
operation,
arethose of
afully configured production system. The development
of acoherent family of such fully configured systems, implemented in s e v e r a l regional
t o national versions
as w e l l as a set ofderived systems focused on individual prob-
lem
areas,but integrated into
acompatible European s u p e r s e t and framework ver-
sion,
ist h e ultimate long-term goal of t h e project.
W e certainly d o not believe in t h e usefulness o r feasibility of one all- embracing s u p e r system, but see this as just one, albeit extremely powerful and effective, tool out of t h e a r r a y of tools required to deal with t h e complex problem area addressed h e r e . But w e also believe t h a t only a r i c h and well-integrated set of useful and usable took which are readily available o r can at least b e recon- figured f o r a new task at low cost in a s h o r t period, can e x p e c t t o make a meaning- ful contribution t o real-world problem solving.
Any p a r t i c u l a r problem t h a t can possibly be s t r u c t u r e d , analyzed and p r e p a r e d f o r decision making by t h e tools in t h i s system, will have strong case- specific peculiarities, involving individuals' idiosyncrasies as well as institutional c u l t u r e s and regional o r national features. These elements will have
to
b e con- sidered if this system i s t o be broadly accepted by potential users. Only a well- organized and truly modular-base system will b e able t o cope with t h e s e require- ments.The purpose of t h e demonstration prototype as t h e nucleus of t h i s base sys-
t e m
is t h e r e f o r e fourfold:f i r s t , i t is t o s e r v e as a demonstration system t h a t allows prospective u s e r s t o gain hands-on experience with tools t h a t might be a b l e t o help them solve t h e i r specific problems;
second, i t i s a set of tools in i t s own r i g h t , t h a t c a n b e used t o study t h e set of problems f o r which i t is implemented;
t h i r d , i t i s
an
operational r e f e r e n c e collection of standardized building blocks, modules, and p r o c e d u r e s and concepts t h a t can be used as a basis from which similar tools f o r specific applications may b e built;and finally, i t is
r a w
material, toolbox, and workbenchat
t h e s a m e time, f o r f u r t h e r development of t h e base system and a number of possible spinoffs.Due t o i t s modularity, h e t e r a r c h i c a l organization, and t h e flexibility resulting from t h e standardized input/output s t r u c t u r e s used f o r t h e linkage of modules, t h e system can grow without getting complicated and intractable. The d e g r e e of reso;
lution and detail required f o r any p a r t i c u l a r problem and application i s largely determined by t h e d a t a b a s e s supplied with t h e system, and does not directly affect t h e basic software elements.
The c u r r e n t prototype implementation i s designed as a n open-ended system.
No limitations on number, size, and connectivity of t h e modules are built into t h e design. The s y s t e m i s also open in t h e sense t h a t f u r t h e r development can go in any of s e v e r a l directions with various d e g r e e s of e f f o r t and emphasis. By gaining experience with t h e potential of t h e approach in hands-on experiments with t h e prototype, t h e u s e r community should increasingly be involved in defining f u t u r e development options and goals.
2. COMPONENTS OF THE DEMONSTRATION
PROTOTYPE
2.1
Yanter Yenu LevelThe Master Menu Level provides t h e top level of e n t r y points
to
t h e system's functions. All components are directly o r indirectly accessible from h e r e , and all major functional units can r e t u r n t o this level. The s t r u c t u r e of t h e menu program i s flexible, s o t h a t different items c a n v e r y easily b e incorporated into t h e menu and t h e corresponding control programs. Modules accessible a r e e i t h e r linked t o t h e body of t h e main(RUN)
program, o r , alternatively, they are implemented func- tionally as stand-alone modules, invoked through systems level calls. In t h e latter c a s e , communication with t h e stand-alone modules is e i t h e r through pass-files, o r via a limitedset
of command line arguments t h a t can b e passed with a systems call.D-onstratron Prototype: Hazardous Substances Risk Management
Rototypc Daoclstratioa V a s i m WtS.
lhes m f h s*.U Is O M I - br III.
. J o ~ n t Lrw+n
-.
1.p.a E s U D l l m t . I u I ~ .A l l Rights RcKI.ved.
to rla a lcno Item, pomltloa tbs ~DI.C poimtar, a d prar tLc left lDElC h t t o a
...
f i g u r e 2.1: Top level system master menu.
Access t o t h e system's functions and options i s always through a system of menus. To ease t h e t a s k of learning f o r t h e novice, and t o provide a n efficient working environment f o r t h e daily u s e r , a consistent style of menus (Figure 2.1) i s used wherever possible.
To select options from t h e menu, t h e mouse p o i n t e r i s positioned in t h e a p p r o p r i a t e section of t h e menu display, which will i n v e r t text/background c o l o r s
to
acknowledge p r o p e r positioning. Actual selection i s performed by pressing t h e l e f t mouse button. Instructions such as t h i s (pressing t h e l e f t mouse button), and information on t h e c u r r e n t s t a t u s of t h e selection p r o c e s sare
displayed in one o r two s t a t u s linesat
t h e bottom of t h e s c r e e n , usually in r e d whenever u s e r action i s expected.Each menu contains at least:
a
QUIT AND
BETURN option, t h a t terminates t h e c u r r e n t level and r e t u r n s t o t h e previous, h i g h e r level;a n
EXPLAIN CURRENT
OFTIONS option, t h a t gives possibly h i e r a r c h i c a l l y s t r u c t u r e d information on t h e c u r r e n t l y a c t i v e menu options; 'one o r more OPTIONS, as described by t h e EXPLAIN function.
Options are d e s c r i b e d with a s h o r t explanatory title. If a n option i s selected t h a t is not c u r r e n t l y a c t i v e because i t may r e q u i r e o t h e r options as p r e r e q u i s i t e s , a visible "bell" ( s h o r t inversion of t h e c u r r e n t background c o l o r
to
black) and a p p r o p r i a t e diagnostic and explanatory message, where n e c e s s a r y ,are
displayed.In general, illegal u s e r input (e.g., pressing t h e mouse buttons o v e r non- selectable p a r t s of t h e display) t r i g g e r s t h e visible bell, o r i s silently ignored. A diagnostic message i s supplied only if necessary.
A s a special c a s e , whenever t h e system waits f o r e x p e c t e d u s e r input f o r more t h a n a c e r t a i n time i n t e r v a l ( c u r r e n t l y about 1 0 s e c s ) , t h e visible bell (inversion of background c o l o r ) and a s h o r t message: "waiting f o r u s e r input" is displayed on t h e s t a t u s line (bottom line of s c r e e n ) f o r about a second. This w i l l b e r e p e a t e d e v e r y 1 0 s e c s , until some input e v e n t o c c u r s .
Data Structures:
Control information f o r menus i s s t o r e d
as
s t a t i c s t r u c t u r e s in t h e programs using them. The s t r u c t u r e s include t h e position and size specifications as w e l las
t h e t e x t written into t h e menu's slots. S e v e r a l routines (creating, hiding,restor-
ing, and deleting menus) access t h i s information through t h e s t r u c t u r e p o i n t e r passed with t h e call.Possible
Extensions:
The menus could b e improved by providing a b r o a d e r r a n g e of visual a n d / o r audible feedback t o t h e u s e r . F o r example, t h e slot (menu option) c u r r e n t l y picked should b e highlighted, e.g., by changing t h e t e x t a n d / o r baakground color.
This i s p a r t i c u l a r l y useful whenever t h e s l o t i s used
to
toggle (switch between enable and disable by r e p e a t e d picking) a c e r t a i n option (see, f o r example, c r i - t e r i a selection in sections 2.1.06 o r 2.1.12).In t h e long r u n , inclusion of more extensive sound and voice g e n e r a t o r s as w e l l as voice understanding input should b e considered
to
broaden t h e bandwidth of man-machine interaction and ease t h e t a s k of using t h e system.2.1.01
Chemical Substances Data BaseaThe chemical substances data bases
are
built around a subset (about 500 sub- stances and substance classes) of ECDIN, EC regulations, and various national and international listings of hazardous substances (see Fedraet
al., 1986b).The chemical substances data base currently has t h e following possible entry points:
-
a list of t h e substances available in t h e data base with t h e option of scrolling up and down t o pick one specific substance f o r f u r t h e r information-
a list of basic class names with t h e possibilityto
go down t h e tree of groups and subgroups:o chemical h e t e r a r c h y
o "black list" (EEC list C 176/4) o "grey list" (EEC list C 167/7) o industrial use
o danger a t storage
o transportation risks and regulations o hazard groups
o possible reactions
0 toxicity
-
t h e input of a substance name f o r some f u r t h e r information-
production process- waste
streams-
product and usersA special questionnaire has been developed f o r some additional properties of interest (Fedra
et
al., 1986b). Additional information covers ph ysical-chemical properties as well as specific data f o r different models t h a t have been imple- mented and can be linked t o the data base. This questionnaire can continuously b e updated f o r t h e different substances of interest. Auxiliary software is used t o generate a random access data base f r o m the individual (one p e r substance included) sequential files generated by the questionnaire manager.D a t a Stmcturer:
The minimum data f o r every chemical stored is loaded at t h e beginning of t h e data base program:
- a
flag of ten c h a r a c t e r s , giving t h e following information:1 ) if t h e chemical is on t h e EEC list C 176/4 2) if t h e chemical is on t h e EEC list C 167/7 3) if t h e chemical is on t h e EEC list L 230/11 4 ) if t h e chemical i s highly toxic
5) if t h e chemical !s explosive
glm
Demonstration Prototype: Chemical Substanca/Classa Data B- -.: '.I1.CPi' of D.rI.tbase C o r . 1 e r . t ~caw ies .
- of m i c a 1 Classes uall.ble $0
rihr of -t- avai l&le 357
Basic Drraip-S
~ h r ~ i ~ c a t ~ ~ m ( n a . q n c * r ) a , i . U ~ . L % W ) 357 a s s ~ g m m t to substance classes
i k m ~ c a l data and structure i n i ~ r r u t i ~ m 320 110
- m
baslc jcscriptiuo (appearance, state,
...
) 50=
other prupcrties (solubility, persistance) 1s0
-
health iqscts (toxicity, carc~nogenicity) : ~ m s t r i a I p r r b c 1 icn 3n.i waste. ,:: ... ~ m x 100 80
- m
prducr~.m and u s r 110
-
dircctinr and rqlulations 70
-
E:
-*.
LI. b - V . d IIM.C.J. (-1:-1- d klldlo -1 I-'. u L.W
-
-1.: b LI.Y e- -1-1 b I O I .
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r,- . , . -
M E-
to rl- a
-
it-, p i t i m tbe-
p o i m e . wsss tbe left muse b ~ t t o n...
f i g u r e 2.2: Top LeveL m e n u Qor t h e chemicaL s u b s t a n c e s d a t a base 6) if t h e chemical i s a
water
pollutant7) if t h e chemical i s flammable 8 ) if t h e chemical i s c o r r o s i v e 9) if t h e chemical is r a d i o a c t i v e
10) if t h e r e i s more d a t a on t h i s chemical s t o r e d
-
a n identification number-
t h e name of t h e chemical.Additional information i s s t o r e d in s e p a r a t e files. These f i l e s c a n b e edited d i r e c t l y a n d t h e r e f o r e b e t r a n s f o r m e d a n d updated easily.
To make t h e access to t h e s e d a t a f a s t a n d efficient, a n d to k e e p t h e run-time s t o r a g e at a minimum, a n i n t e r m e d i a t e p r o g r a m t h a t c o n v e r t s s e p a r a t e , sequentially-structured chemical d a t a f i l e s i n t o a random access f i l e w a s developed. E v e r y time u p d a t e s are made o r new chemicals are added, t h i s t r a n s f o r m a t i o n p r o g r a m h a s to b e used.
When t h e u s e r r u n s t h e d a t a b a s e program and wants some information o n
a
chemical, just t h a t p a r t i s loaded from t h e random access file: t h i s p r o c e d u r e s a v e s time a n d s p a c e . Input of t h e o r i g i n a l d a t a , however, c a n b e d o n e by t h e u s e rD-stion Prototype: chexnid ~ u b s t a n c e . / ~ ~ r u e . ~ a t a .I.B
4
m cd&
-
m cd& W
m crid
7 1 1
t l I T @ J m r
9 11 a . J a c y l l ) c b l a i b 1 . 1 1 5s c b l a o f a r
1 1 8 1 b s r r b l a r o - l . % h t d i m
U 1 B T 11-
1 3 1 1 k p u c h l a r
1 4 1 1 diel&tn
1 s ~a ~ c a i r n
1 6 1 1
u i c h l a r o p k a o l
r o c l a l254
1 EEC l i s t C 176/4 highly t m i c 0 f l l k l e
1 EEC l i s t C 167/7 q l o a i n 4 c a r o r i v e EEC l i s t L U O / I water pol lutant r r d i o c t i n
F i g u r e 2.3: L i s t i n g of b a s i c s u b s t a n c e s
by straightforward editing of t h e corresponding raw d a t a files.
The information is s t o r e d in two kinds of r e c o r d s : chem, which contains t h e basic information f o r e v e r y chemical (fixed s t r u c t u r e , fixed length), and proc, with t h e information on r e l a t e d industrial prooesses (variable length, depending on t h e number of p r o c e s s e s involved).
c h e m o name o s y n o n y m s
o c a s : Chemical Abstracts Number o un: UN Number
o f o r m u l a : chemical formula
o d i a m o n d : f o u r flags f o r hazard r a t i n g s o mw: molecular weight
o m p : melting point o bp: boiling point
C l w Demonstration Protot:.pe. C h e n l c a l 5 r ; b s t a n c e s Classes Data B a s e $.i$-
m e a l -rely
sr M I L X 8. Page
-
1 o M I L X H. --I -I-a M I L X s. ..c.L.)c.
I L r B C ) l l ( r 11 I- ,
a i r nh(r 11 ,-,
1 L r % a rp)C.. - U l C d .LItl.r
I M I L X -1 -tc -L
I x ..La11 .-e
"
1 1 ; . 3 - - I d ) q.r..I IHi.x I C l t C 11 ' ,
I H d - 1 1 11
I I 1 I -1- d-
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I L r s # dd ,-c
a D I r 5 i -11-
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I x s IL.118- d
I L x I w a r .II
I B m a d --I -8
rn I r x x 3.8
-
(rrllk- 4 8
-
6 L r 3.O **- ) I r l l ( c I
I EEC l i s t C 17W4 Y L i C l y tosrlc 8 fl-lr
I EEC 1 l s t C l67rl iL q l o s i \ r 8 m i - L E E C l i s t L t 1 0 / l 2 8 1 u t e r p I l . + r c *r&iorti*r i
Figure 2.4: L i s t i n g of s u b s t a n c e classes o l p : flash point
o u p : v a p o r p r e s s u r e o v d : v a p o r density o s g : specific g r a v i t y
o a p p : a p p e a r a n c e of t h e chemical o o d o u r
o s t a t e : solid, liquid, g a s o roe: r o u t e s of e n t r y
o symptoms: symptoms in case of intoxication o carc: health impacts e.g., carcinogenicity
o i r r i : health impacts e . g . , i r r i t a t i o n of skin o r e y e s o sol: water solubility of t h e chemical
o p e r s : p e r s i s t e n c e of t h e chemical
o mak: Maximale Arbeitsplatz Konzentration (TLV) o apf: a i r pollution f a c t o r
-
C I w Demonstration Protot:qe Chemical S u b s t a n c e s Classes D a t a B a s e $&.
- -
?r
-
no l i u : 1 0 1 S 2 L* 1671_rn.>t I < xld, h \ d r r y b e n z e m , phrnb I I C d c t d
urn
* %State rol ld
-pFYarance: colurlas t ~ l l brsmu-blrlr
~ U w r : ledlc~oal, s l d a l q ~ -t ud arid L ~ ~ u b ~ l r t y : slur water s o l d l l l t ~
Prrsrstencc: -at p r r S I S t ~ t
h.11 th: suspecred carcinogen lrrrrar~re S\pt,u: kd.ck.col ~ ~ . r m c o n r c : l o a s m s . h e u t fa1 lure Lywsure: ~ n h a l a t ~ m . skin, dlrect tptake
s :y
Prducrl~n: 850. KT (EEC 1980)
Lse: solveat. u s d for dyes and ~n petrol- ~n&stry r f ~ r u l a d ~ s t ~ l l a t ~ o n of petroleu
I ~ ~ ~ ~ I . V U I O U S orqsnlc chem~cals
I1 111
Waste srrers caollag t a r sludge &
r u t e b ~ o sludge Uolrcular .- - rr~ght 94.11a/m-l dlssolnd alr f l o t a t ~ m float -- Y r l t ~ n e F \ > I I ~ ~ 41.30 1'
slop 011 eulslon s o 1 1 6 h ~ l ~ n p p > l n t 182.3Oi beat exchanger bundle clean~ng sludgc Flash p r n r 77 ,:
91 rrpuatar sludgc 1 apr prrssurt. 0.20 a u
l e a t d bottom 1 apor dens I t > 3.21 p / v l a x c l o b l e d d t d bottom S p c ~ t ~ c g r a ~ ~ t ! 1.07
-Oh t d hot- 4 1 r pol lur 1,-n 3.26-
silt f n a rater runoff .W; 5-00 p
Leg~slat ~un:
:- **
I ~ F O = = l ~ 7 D ~ r e c t ~n 76/J6UEEC Dirative 6 7 / W / E E CF i g u r e 2.5: S u m m a r y p a g e d e s c r i p t i o n f o r a b a s i c s u b s t a n c e
o p w : amount of production o u s e : u s e of t h e chemical
o drnr: number of d i r e c t i v e s a n d r e g u l a t i o n s r e l a t e d to t h i s chemical o dr: d i r e c t i v e s a n d r e g u l a t i o n s c o n c e r n e d ( d r n r times)
o ip: number of i n d u s t r i a l p r o d u c t i o n p r o c e s s e s c o n c e r n e d proc
o 2.114: u p t o 1 6 g r o u p s of r e c o r d s c o v e r i n g t h e following topics:
p r o c e s s , f e e d s t o c k , main p r o d u c t s , by-products, number of waste s t r e a m s , r e f e r e n c e f o r e a c h
waste
stream t o t h e waste stream d a t a b a s eo p r o c e s s : t e x t l i n e s with information d e s c r i b e d above.
Possible Extensions:
Another p e r s p e c t i v e of information o n t h e d i f f e r e n t chemicals,
a
h e t e r a r c h i - c a t v e r s i o n of t h e Chemical Data Base, i s c u r r e n t l y u n d e r design (Weigkricht a n d Winkelbauer , 1986).Each e n t r y point for t h e u s e r will be internally represented by a class of chemicals. Each class consists of several subclasses, which are o t h e r e n t r y points
to
t h e d a t a base, or of a number of chemical s u b s h n c e s . These classes form a heterarchicaltree,
i.e., each substance or class of chemicals can belongto
s e v e r a l superclasses.This enables t h e system
to
support many e n t r y pointsto
t h e d a t a base and still keep s h o r t s e a r c h paths to detailed information. Moreover t h e system then will be ableto
provide general information about classes of chemicalsas
well, which w f l l be stored together with t h e description of a class and t h e r e f o r e immediately avail- ableto
t h e u s e r when he e n t e r s t h e d a h base.This general information can b e input f r o m an "expert" or a synthesis of t h e specific information s t o r e d for t h e corresponding subclasses or substances in t h e form of a range, a statistical distribution or a verbal d e s c r i p t o r for t h e possible value. If t h e d a t a for a specific substance
or
a class i s insufficientor
is missed at all, it should b e possible t o go up t h e path in t h e h e t e r a r c h i c a ltree
and use t h em o r e
general information available t h e r e .To combine t h e benefits of a n object-oriented approach with those of condition-action pairs, a h e t e r a r c h i c a l f r a m e s t r u c t u r e for t h e chemical d a t a and knowledge bases i s being developed in Common Lisp, i.e., an object c a n b e a member of several classes and each class can belong t o s e v e r a l superclasses, and by adding "rule abilities" t o a special slot called a c t i o n s , i.e., t h i s slot does not s t o r e information but performs procedural t a s k s which are defined as condition- action pairs. A detailed description of t h e h e t e r a r c h i c a l frame-structure is given below.
Our approach foresees t h e use of a basic list of about 500 substances ( o r molecular substances, i.e., entities t h a t do not have any sub-elements), con- s t r u c t e d as a s u p e r s e t of EC and
USEPA
lists of hazardous substances. In parallel w e construct a set of substance cLasses which must haveat
least one element in them. Every substance has a list of properties or attributes; i t also hasat
least one parent substance cLass in which i t is a member. Every member of a group inherits all t h e p r o p e r t i e s of t h i s group.In
a similar s t r u c t u r e , a11 t h e groups are members of various o t h e r p a r e n t groups (but only t h e immediate upper level i s specifiedat
each level), ultimately a11 subgroups belongto
t h e top group h a z a r - d o u s substances.While a t t r i b u t e s of individual substances a r e , by and large, numbers (e.g., a flash point
or
an LDS0), t h e corresponding a t t r i b u t eat
a class level will b e a r a n g e (flash point: 18-30°C)or
a symbolic, linguistic label (e.g., toxicity: very high).The s t r u c t u r e outlined below also takes care of unknowns at various levels within t h i s classification scheme. Whenever a c e r t a i n p r o p e r t y i s not known
at
any level, t h e value from t h e immediate p a r e n t ~ l a s s ( o r t h e composition of more than one value f r o m more than one immediate p a r e n t n l a s s ) will b e substituted. The s t r u c t u r e is also extremely flexible in describing any d e g r e e of p a r t i a l overlap and missing levels in a hierarchical scheme.Frame Syntax:
Each chssframe consists of t h e fcllowing six slots:
Explanation:
v e r b a l information about t h e c u r r e n t frame, concerning t h e substance class which i s r e p r e s e n t e d by t h e frame, i t s a t t r i b u t e s , t h e default values a n d / o r i n d i r e c t r e f e r e n c e s and t h e position of t h e f r a m e in t h e h e t e r a r c h i c a l s t r u c t u r e ; t h e main purpose of t h i s information i s f o r updating and editing t h e f r a m e by a knowledge engineerSuperclasses: r e f e r e n c e s t o t h e alasses t o which t h e c u r r e n t f r a m e belongs D e s c r i p t i o n : a t t r i b u t e s with values a n d / o r p r o c e d u r a l attachments (i.e., p r o - c e d u r e s which a a l c u l a t e t h e values or r e f e r t o them, or both) which d e s c r i b e t h e s u b s t a n c e class r e p r e s e n t e d by t h e c u r r e n t f r a m e
Subclasses: r e f e r e n c e s t o t h e classes which belong t o t h e c u r r e n t f r a m e
Instances:
r e f e r e n c e sto
t h e instances (i.e., substances) of t h e substance class r e p r e s e n t e d by t h e c u r r e n t frameActions: conditionaction p a i r s , where t h e actions of a n action p a r t
are car-
r i e d o u t if t h e frame r e c e i v e s n message which matches t h e corresponding condition p a t t e r n .The formal description of a f r a m e i s as follows:
( C l a s s classname
( E x p l a n a t i o n (<Verbal Information>)) ( S n p e r c l a 8 s e a ( G i s t of Classnames >)) ( D e s c r i p t i o n (
( <Slotname >-2 Qiller >-2)
...
( <Slotname >-n Qiller >-n))) ( S n b c l a s s e a ( G i s t of Classnames >)) ( I n s t a n c e s ( G i s t of Substances>)) ( A c t i o n s
(If
<Condition P a t t e r n>
Then <Action P a r t >)))
<Verbal Information>
=
InfoText r e p r e s e n t e d by a l i s t of words G i s t of Classnames> =
classnameI
classname G i s t of Classnames>
a i s t of Substances>
=
s u b s t a n c e ( s u b s t a n c e G i s t of Substances>CSlotname>
=
a t t r i b u t e of t h e r e p r e s e n t e d class G i l l e r> =
(Class classname)I
(Value value)
I
(default (Lisp s-expression))
I
($if -needed (Lisp s-expression))
I
($ifadded (Lisp s-expression))
I
($if-changed (Lisp s-expression))
I
($if-deleted (Lisp s-expression))
C o n d i t i o n P a t t e r n
> =
( G a t t e r n 2.1Gattern
>-2. . .
G a t t e r n >-m)< P a t t e r n >
=
constantI
?variableI #
a c t i o n P a r t
> =
(Lisp s-expression)A s a n example, two class-frames from t h e h e t e r a r c h i c a l knowledge base struc- t u r e f o r phenols are given below:
(Class aromatics
(Superclasses (Object))
(Description (attribute-1
. . ..
.)( a t t r i b u t e 2
...) . . .
(attribute-n
. . . .
.)) (Actions (If (List your members)Then (prog (ask self subclasses) (ask self instances)))) (Subclasses (arornatic-h ydrocarbons aromatic-heterocyclics))
(Instances NIL))
(Class mixe~ydrocarbonlbatitutehrrithtwchlorineg
(Super classes (aromatic-h ydrocarbonsdoublesubstituted c h l o r i n a t e d ~ h e n o l
mixed~hlorinatedaromatic~ydrocarbons)) (Descriptions (attribute-o+l
. . . .
.)(attribute-o+Z
...) . . .
(attribute-p
. . . . .
)) (Subclasses NIL)(Instances (2,4-Dichlorophenol2.6-Dichlorophenol)))
To r e t r i e v e information t h e u s e r may directly e n t e r t h e name of a substance o r of a substance class, or h e may specify value r a n g e s (numerical and/or sym- bolic) for one o r more substanoe (class) attributes. The Information System transforms this specifications into messages
for
t h e top level classes (also called viewpoints). By receiving t h e s e messages t h e frames which r e p r e s e n t t h e viewpoints are activated.The f r a m e s then check if they are selected by t h e u s e r ' s specification, and if they are, then proceed t o create messages f o r t h e i r subframes which again per- form t h e i r matching operations and
create
messages, and s o on. This r e c u r s i v e procedure does not need to s e a r c h through t h e whole s t r u c t u r e becauseit
i s directed by t h e r u l e s in t h e Actions slots and t h e r e f e r e n c e s in t h e @if- slots, sup- ported by t h e inherited information.This procedure r e s u l t s in a substructure of valid substance classes which r e p r e s e n t s t h e systems view of t h e u s e r ' s level of expertise. This sub-structure is from then on used
to
guide t h e u s e r ta t h e more detailed information, if he a g r e e sto
proceed with t h e interaction.Then this r e c u r s i v e message sending and receiving can b e applied again, starting from t h e c u r r e n t top level(s) of t h e s u b s t r u c t u r e using t h e additional information provided by t h e u s e r (based on t h e displayed s t a t u s of t h e a t t r i b u t e s of t h e classes level reached), until e i t h e r t h e u s e r is satisfied by t h e given infor- mation about t h e c u r r e n t substructure's a t t r i b u t e s
or
until t h e level of instances(a single substance) terminates t h e u s e r ' s attempts t o get f u r t h e r information.
Updating i s quite similar
to
t h e r e t r i e v a l of information. First, t h e substruc- t u r e which w i l l b e a f f e c t e d i s localized by an interframe message sending/receiving sequence. Then t h e updates of t h e a t t r i b u t e values are e n t e r e d and checked if they are consistent within t h e selected s u b s t r u c t u r e by using t h e $iJ-added and t h e Oil-needed slot f i l l e r s t o g e t h e r with t h e r u l e s of t h e Actions s l o t which deal with consistencytests.
After t h e consistency of t h e s u b s t r u c t u r e h a s been proved, t h e same pro- c e d u r e i s used f o r t h e n e x t h i g h e r aggregation levels until t h e whole s t r u c t u r e h a s been proved t o b e consistent with t h e new and/or changed a t t r i b u t e values.
2.1.02 Industrial Accident Reports
The industrial accident r e p o r t s d a t a b a s e contains n a r r a t i v e accounts of major industrial accidents involving hazardous substances. A summary r e p o r t , fol- lowing t h e r e p o r t format of t h e Seveso Directive, p r e c e d e s e a c h n a r r a t i v e account.
n l m
Demonstratlor. Prototype: Major Industrial Acc~dents Data Base P E P O F T O F MAJOI? ACCIDEST~ bState: a I t a l y
I l e p a t i q authority: f k g i o u l H w l t b -ity
m ,
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k t e .ad DATA t l r : 1976 7 10, 12 brsh a t I- Smso
I O E S 1 V G i v r d r / l b f f n La lbck .*t I V l q ' Z c h i c . 1 M w f r t a r i q g TYPE OF WJOR AlXIDPCT q l a i d a i s s i a m
S b s m emitted:
v r i - d l a i v t s d -1s Z , l , S t r i d l ~ l
Z,3,7,L-w.dlaodit-di~i11 (250400s)
sate o f ucidenr lad a f f a t a i .rsr
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. h * T L R E APO m OF Iwu[Ts REPmTEDa casualties: m l . L I m UDLI- ~ UUPLI- L
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f i g u r e 2.6: Example page from the i n d u s t r i a l a c c i d e n t s d a t a base @ a r t i a l l y f i c t i t i o u s d a t a ) .
Access t o t h e d a t a b a s e i s c u r r e n t l y from
a
menu list of r e p o r t s , where a h e a d e r line i s shown f o r e a c h of t h e r e p o r t s in t h e system. Selecting a n a p p r o p r i - a t e h e a d e r , t h e u s e r will t h e n r e a d one o r s e v e r a l s c r e e n s of information, com- posed of t e x t and g r a p h i c s . Within a given r e p o r t , forward and backward paging i s supported.The basic components of any accident descriptionL) include:
Place, d a t e and time of accident
q ~ a r r e d on OPfi cia1 Journal o f t h e European Communities, No. L 230/3 7, 5.8.82, Annex VI.