Chemical enterprise model and decision-making framework for sustainable chemical product design

Computers in Industry

Volumn 65, Issue 3, 2014, Pages 505-520

  Heintz, Juliette ^a,b,c   Belaud, Jean Pierre ^a,b   Gerbaud, Vincent ^a,b  

^a UNIVERSITÉ PAUL SABATIER   (France)

^b LABORATOIRE DE GÉNIE CHIMIQUE   (France)

^c ProSim SA Immeuble Stratège A   (France)

Author keywords

Collaborative decision making; Computer aided product design; ICT; Molecule substitution; Process system engineering; Sustainable chemical product development

Indexed keywords

CHEMICAL INDUSTRY; DECISION MAKING; ECODESIGN; INDICATORS (CHEMICAL); MIXTURES; PHYSICOCHEMICAL PROPERTIES; SUSTAINABLE DEVELOPMENT;

CHEMICAL PRODUCTS; COLLABORATIVE DECISION MAKING; COMPUTER AIDED MOLECULAR DESIGN; COMPUTER AIDED PRODUCT DESIGNS; DECISION-MAKING FRAMEWORKS; ENVIRONMENT HEALTH AND SAFETIES; INFORMATION AND COMMUNICATION TECHNOLOGIES; PROCESS SYSTEM ENGINEERING;

PRODUCT DESIGN;

EID: 84896315317     PISSN: 01663615     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compind.2014.01.010     Document Type: Article

References (86)

1. REACH, 2008. Documentation available at EC web site: http://ec.europa.eu/ enterprise/sectors/chemicals/reach/index-en.htm.
2. VOC VOC Solvents Emissions Directive (Directive 1999/13/EC) amended through article 13 of the Paints Directive (Directive 2004/42/EC) 2004
3. M. Nieddu, E. Garnier, and C. Bliard The emergence of doubly green chemistry, a narrative approach European Review of Industrial Economics and Policy 2012/1 2012
4. R. Costa, G.D. Moggridge, and P.M. Saraiva Chemical product engineering: an emerging paradigm within chemical engineering AIChE Journal 52 2006 1976 1986
5. M. Hill Chemical product engineering - the third paradigm Computers & Chemical Engineering 33 2009 947 953
6. G. Hall, and J. Howe Sustainability of the chemical engineering manufacturing industry-towards a new paradigm? Education for Chemical Engineers 5 2010 e100 e107
7. L. Patil, L. Srinivas, K. Murthy, D. Dutta, and R. Sudarsan Toward an integrated decision support framework for sustainability analysis NIST IR 2013 10.6028/NIST.IR.7909
8. P.T. Anastas, and J. Warner Green Chemistry Theory and Practice 1998 Oxford University Press Oxford 135
9. P.T. Anastas, and J.B. Zimmerman Design through the 12 principles of green engineering Environmental Science Technology 2003 94 101
10. A. Azapagic, and S. Perdan An integrated sustainability decision-support framework. Part I. Problem structuring International Journal of Sustainable Development & World Ecology 12 2005 98 111
11. A. Azapagic, A. Millington, and A. Collett A methodology for integrating sustainability considerations into process design Chemical Engineering Research and Design 84 2006 439 452
12. H.F. Hung, H.P. Kao, and Y.S. Juang An integrated information system for product design planning Expert Systems with Applications 35 1-2 2008 338 349
13. B. Smith, and M.G. Ierapepritou Framework for consumer-integrated optimal product design Industrial and Engineering Chemistry Research 48 18 2009 8566 8574
14. B.V. Smith, and M.G. Ierapepritou Integrative chemical product design strategies: reflecting industry trends and challenges Computers & Chemical Engineering 34 2010 857 865
15. W.D. Seider, W. Soemantri, J.D. Seader, and D.R. Lewin Perspectives on chemical product and process design Computers & Chemical Engine 33 2009 930 935
16. M. Hill Product and process design for structured products AIChE Journal 50 8 2004 1656 1661
17. R. Gani, and E.A. Brignole Molecular design of solvents for liquid extraction based on UNIFAC Fluid Phase Equilibria 13 1983 331 340
18. P.M. Harper, R. Gani, P. Kolar, and T. Ishikawa Computer-aided molecular design with combined molecular modeling and group contribution Fluid Phase Equilibria 1999 158 160 337-347
19. L.E.K. Achenie, R. Gani, and V. Venkatasubramanian Computer Aided Molecular Design: Theory and Practice 2003 Elsevier Asmterdam, Netherlands
20. K.G. Joback, and R.C. Reid Estimation of pure-component properties form group contributions Chemical Engineering Communications 57 1987 233 243
21. L. Constantinou, and R. Gani New group contribution method for estimating properties of pure compounds AIChE Journal 40 1994 1697 1710
22. J. Marrero, and R. Gani Group-contribution based estimation of pure component properties Fluid Phase Equilibria 2001 183 184 183-208
23. A.S. Hukkerikar, B. Sarup, A.T. Kate, J. Abildskov, G. Sin, and R. Gani Group-contribution+ (GC+) based estimation of properties of pure components: improved property estimation and uncertainty analysis Fluid Phase Equilibria 321 2012 25 43
24. M. Karelson, V.S. Lobanov, and A.R. Katrinsky Quantum-chemical descriptors in QSAR/QSPR studies Chemical Reviews 96 1996 1027 1043
25. S.A. Gallenos Mini-review on chemical similarity and prediction of toxicity Current Computer-Aided Drug Design 2 2006 105 122
26. M. Korichi, V. Gerbaud, P. Floquet, A.-H. Meniai, S. Nacef, and X. Joulia Computer aided aroma design. II. Quantitative structure-odour relationship Chemical Engineering and Processing: Process Intensification 47 2008 1912 1925
27. R. Gani Chemical product design: challenges and opportunities Computers and Chemical Engineering 28 2004 2441 2457
28. E. Conte, R. Gani, and K.M. Ng Design of formulated products: a systematic methodology AIChE Journal 57 2011 2431 2449
29. A.I. Papadopoulos, M. Stijepovic, P. Linke, P. Seferlis, and S. Voutetakis Molecular design of working fluid mixtures for organic rankine cycles Computer Aided Chemical Engineering 32 2013 289 294
30. M. Mattei, M. Hill, G.M. Kontogeorgis, and R. Gani Design of an emulsion-based personal detergent through a model-based chemical product design methodology Computer Aided Chemical Engineering 32 2013 817 822
31. A.T. Karunanithi, L.E.K. Achenie, and R. Gani A new decomposition-based computer-aided molecular/mixture design methodology for the design of optimal solvents and solvent mixtures Industrial Engineering Chemical Research 44 2005 4785 4797
32. J. Heintz, V. Gerbaud, and J.-P Belaud Models driven conception of an Computer Aided Mixture Design tool 21st European Symposium on Computer Aided Process Engineering 2011 Elsevier 1608 1612
33. IEEE Standard Glossary of Software Engineering Terminology, IEEE Std 610, 12-1990 1990
34. K.E. Wiegers Software Requirements 2009 O'Reilly Media, Inc.
35. R.G. Ross Principles of the Business Rule Approach 1st ed. 2003 Addison Wesley Boston, USA
36. OMG Semantics of Business Vocabulary and Business Rules (SBVR), v1.0 2008 OMG Needham, MA Available at: http://www.omg.org/spec/SBVR/1.0/PDF/ (WWW Document)
37. OMG Object Constraint Language OMG Available Specification Version 2.0 2006 OMG Needham, MA Available at: http://www.omg.org/spec/OCL/2.3.1/PDF/ (WWW Document)
38. K.U. Klatt, and W. Marquardt Perspectives for process system engineering. Personal views from academia and industry Computer & Chemical Engineering 33 2009 536 550
39. K.M. Ng, R. Gani, and K. Dam-Johansen Chemical Product Design 2007 Elsevier Asmterdam, Netherlands
40. W. Marquardt, and M. Nagl Workflow and information centered support of design processes. The IMPROVE perspective Computer & Chemical Engineering 29 2004 65 82
41. V.A. Varma, G.V. Reklaitis, G.E. Blau, and J.F. Pekny Enterprise-wide modeling & optimization - an overview of emerging research challenges and opportunities Computer & Chemical Engineering 31 2007 692 711
42. B.V. Smith, and M.G. Ierapepritou Modeling and optimization of product design and portfolio management interface Computers & Chemical Engine 35 2011 2579 2589
43. B. Gagnon, R. Leduc, and L. Savard From a conventional to a sustainable engineering design process: different shades of sustainability Journal of Engineering Design 23 2012 49 74
44. H.A. Simon The New Science of Management Decision: The Ford Distinguished Lectures 1960 Harper and Row New York and Evanston
45. N. Ashrafi A decision making framework for software total quality management International Journal of Technology Management 16 1998 532 543
46. J. Renaud, A. Lefebvre, and C. Fonteix Improvement of the design process through knowledge capitalization: an approach by know-how mapping Concurrent Engineering Research and Applications 12 2004 25 37
47. R.N. Anthony Planning and Control Systems A Framework for Analysis, Studies in Management Control 1965 Division of Research Graduate School of Business Administration, Harvard University Boston
48. N. Dalkey, and O. Helmer An experimental application of the Delphi method to the use of experts Management Science 9 1963 458 467
49. H.A. Linstone, and M. Turoff The Delphi Method: Techniques and Applications 1975 Addison-Wesley Pub. Co., Advanced Book Program
50. B. Roy Classement et choix en présence de points de vue multiples Revue française d'automatique, d'informatique et de recherche opérationnelle 2 1968 57 75
51. T. Briggs, P.L. Kunsch, and B. Mareschal Nuclear waste management: an application of the multicriteria PROMETHEE methods European Journal of Operational Research 44 1990 1 10
52. R.L. Keeney, and H. Raiffa Decisions with Multiple Objectives: Preferences and Value Trade-Offs 1993 Cambridge University Press Cambridge, UK
53. T.L. Saaty, and L. Vargas Fundamentals of Decision Making and Priority Theory With the Analytic Hierarchy Process 1994 Rws Pubns Pittsburgh, USA
54. T.L. Saaty The Analytic Network Process: Decision Making With Dependence and Feedback 2nd ed. 2001 Rws Pubns Pittsburgh, USA
55. K.M. Ng MOPSD: a framework linking business decision making to product and process design Computers & Chemical Engineering 29 2004 51 56
56. A. Azapagic, and S. Perdan An integrated sustainability decision-support framework. Part II: Problem analysis International Journal of Sustainable Development & World Ecology 12 2005 112 131
57. T.R. Browning Applying the design structure matrix to system decomposition and integration problems: a review and new directions IEEE Transaction on Engineering Management 40 3 2001 292 306
58. L. Chan, and M. Wu Quality function deployment: a literature review European Journal of Operational Research 143 2002 463 497
59. R. Dekkers, C.M. Chang, and J. Kreutzfeldt The interface between "product design and engineering" and manufacturing: a review of the literature and empirical evidence International Journal of Production Economics 144 2013 316 333
60. F.B. Vernadat Enterprise modeling and integration (EMI): current status and research perspectives Annual Reviews in Control 26 2002 15 25
61. ISO/DIS 19440.2 Enterprise Integration - Constructs for Enterprise Modeling 2005 ISO Geneva
62. IEEE Recommended practice for architectural description of software-intensive systems IEEE-std-1471-2000 2000
63. L.S. Lê, and A. Wegmann Hierarchy-oriented modeling of enterprise architecture using reference-model of open distributed processing Computer Standards & Interfaces 35 2013 277 293
64. H. Panetto, and A. Molina Enterprise integration and interoperability in manufacturing systems: trends and issues Computers in Industry 59 2008 641 646
65. J.M. Perez, F. Ruiz, and M. Piattini MDE for BPM: a systematic review J. Filipe, B. Shishkov, M. Helfert, Software and Data Technologies, Communications in Computer and Information Science 2008 Springer Berlin/Heidelberg 127 135
66. S.A. White Introduction to BPMN 2004 URL: http://www.omg.org/bpmn/ Documents/Introduction-to-BPMN.pdf (WWW Document)
67. OMG Business Process Modeling Notation (BPMN) 2007 OMG Needham, MA Available at: www.bpmn.org/ (WWW Document)
68. OMG OMG Unified Modeling Language Specification, Version 2.0 2005 OMG Needham, MA Available at: http://www.omg.org/spec/UML/2.0 (WWW Document)
69. J. Heintz, V. Gerbaud, and J.-P. Belaud Operational and strategic alignment in the decision process of molecule substitution Computer Aided Chemical Engineering 30 2012 382 386
70. T. Oreilly What is Web 2.0: design patterns and business models for the next generation of software Communications & Strategies 1 2007 17
71. J.G. Breslin, D. O'Sullivan, A. Passant, and L. Vasiliu Semantic web computing in industry Computers in Industry 61 2010 729 741
72. V. Robin, B. Rose, and P. Girard Modelling collaborative knowledge to support engineering design project manager Computers in Industry 58 2007 188 198
73. M. Tavana, M. Pirdashti, D.T. Kennedy, J.-P. Belaud, and M. Behzadian A hybrid Delphi-SWOT paradigm for oil and gas pipeline strategic planning in Caspian Sea basin Energy Policy 40 2012 345 360
74. J. Heintz Systemic approach and decision process for sustainability in chemical engineering: application to computer aided product design (Ph.D. thesis) 2012 Université de Toulouse Available at http://ethesis.inp- toulouse.fr/archive/00002022/
75. R.A. Howard Decision analysis: applied decision theory Proceedings of the 4th International Conference on Operational Research 1966 55 77
76. P. Kroll, and P. Kruchten The Rational Unified Process Made Easy: A Practitioner's Guide to the RUP 1st ed. 2003 Addison Wesley Boston, USA
77. J.E. Ourique, and A. Silva Telles Computer-aided molecular design with simulated annealing and molecular graphs Computers & Chemical Engineering 22 1998 S615 S618
78. M. Korichi, V. Gerbaud, P. Floquet, A.-H. Meniai, S. Nacef, and X. Joulia Computer aided aroma design. I. Molecular knowledge framework Chemical Engineering and Processing: Process Intensification 47 2008 1902 1911
79. B. Van Dyk, and I. Nieuwoudt Design of solvents for extractive distillation Industrial Engineering Chemical Research 39 2000 1423 1429
80. P.R. Patkar, and V. Venkatasubramanian Chapter 5: genetic algorithms based CAMD Computer Aided Molecular Design: Theory and Practice 2002 Elsevier Amsterdam, Netherlands 95 128
81. M. Sinha, and L.E.K. Achenie Chapter 11: CAMD in solvent mixture design Computer Aided Molecular Design: Theory and Practice 2002 Elsevier Amsterdam, Netherlands 261 287
82. J. Heintz, I. Touche, M.T. dos Santos, and V. Gerbaud An integrated framework for product formulation by computer aided mixture design Computer Aided Chemical Engineering 30 2012 702 706
83. H.I. Ansoff Corporate Strategy: An Analytic Approach to Business Policy for Growth and Expansion 1965 McGraw-Hill New York
84. J.C. Henderson, and N. Venkatraman Strategic alignment: leveraging information technology for transforming organizations IBM Systems Journal 38 2 1999 472 484
85. BRG Defining Business Rules - What Are They Really? 2000 URL: http://www.businessrulesgroup.org/first-paper/BRG-whatisBR-3ed.pdf (WWW Document)
86. D.C. Weis, and D.P. Visco Computer-aided molecular design using the Signature molecular descriptor: Application to solvent selection Comput Chem Engng 34 2010 1018 1029