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Toma, Letitia (2008) Computer aided design of sustainable industrial processes. [Ph.D. thesis]

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Abstract (english)

Computer simulation has been used by the chemical industry, for several decades, as a decision support tool. The possibility of analyzing and optimizing a chemical process is one of the advantages offered by such a tool.
The present thesis deals with the description of a methodology to quantify the environmental impact of a chemical or a biochemical process. The methodology, integrated and implemented in the Process Sustainability Prediction (PSP) Framework, can be taken into account in the early stages of new plants design, or, it can be applied to the existing plants.
To be effective, the proposed software should be based on international standard, so that the connection to any commercial process simulator would be possible. For this reason, PSP Framework has been developed using the CAPE OPEN(CO) standard. Beside the CO Modules, PSP contains also a toxicological database and a set of software modules for post-processing the information from the process simulator software.
Representative chemical processes examples are presented in order to validate PSP methodology.
The thesis contains also molecular modelling techniques for toxicological data prediction (which are inserted in the database). Different molecular modelling methods are proposed in order to estimate the environmental impact categories. Representative examples are reported in the present research work.


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EPrint type:Ph.D. thesis
Tutor:Fermeglia, Maurizio
Supervisor:Longo, Gennaro
Ph.D. course:Ciclo 20 > Scuole per il 20simo ciclo > INGEGNERIA INDUSTRIALE > INGEGNERIA CHIMICA
Data di deposito della tesi:31 January 2008
Anno di Pubblicazione:31 January 2008
Key Words:sustainability, environmental impact, process simulation, molecular modelling
Settori scientifico-disciplinari MIUR:Area 09 - Ingegneria industriale e dell'informazione > ING-IND/24 Principi di ingegneria chimica
Struttura di riferimento:Dipartimenti > pre 2012 - Dipartimento di Principi e Impianti di Ingegneria Chimica "I. Sorgato"
Codice ID:153
Depositato il:29 Oct 2008
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Le url contenute in alcuni riferimenti sono raggiungibili cliccando sul link alla fine della citazione (Vai!) e tramite Google (Ricerca con Google). Il risultato dipende dalla formattazione della citazione.

1. “Accelrys” (2007). Available from: http://www.accelrys.com/products/topkat/index.html (last accessed november 2007) Vai! Cerca con Google

2. Acikgoz S.A., Diwekar U.M. “Molecular Simulations for Environmental Property Predictions: An Efficient Sampling Approach”, available from: <http://www.nt.ntnu.no/users/skoge/prost/proceedings/aiche-2005/nontopical/Non%20topical/papers/569e.pdf (last accessed november 2007) Vai! Cerca con Google

3. Altwegg D., Roth I., Scheller A. “Monitoring Sustainable Development”, MONET, Final Report—Methods and Results, Ed. Swiss Federal Statistical Office (SFSO), Swiss Agency for the Environment, Forests and Landscape (SAEFL) and Swiss Federal Office for Spatial Development (ARE), 2004 Cerca con Google

4. “Ambit” (2007). Available from: http://ambit.acad.bg/nina/publications/2004/QSAR2004_SARvsQSAR_final.ppt (last accessed november 2007) Vai! Cerca con Google

5. Anastas P. T., Breen J. J. “Design for the environment and Green Chemistry: the heart and soul of industrial ecology”, Journal of Cleaner Production, Volume 5, Issues 1- 2, 1997, Pages 97-102 Cerca con Google

6. “Answers.com” (2007a). Available from: Answers Corporation: Online Encyclopedia, Thesaurus, Dictionary definitions and more http://www.answers.com/topic/relationaldatabase?cat=technology (last accessed october 2007) Vai! Cerca con Google

7. “Answers.com” (2007b). Available from: Answers Corporation: Online Encyclopedia, Thesaurus, Dictionary definitions and more http://www.answers.com/topic/toxicology (last accessed october 2007) Vai! Cerca con Google

8. “Answers.com” (2007c). Available from: Answers Corporation: Online Encyclopedia, Thesaurus, Dictionary definitions and more http://www.answers.com/topic/amine-gastreating (last accessed october 2007) Vai! Cerca con Google

9. AOP Program version v.1.92 (2000), U.S. EPA Cerca con Google

10. APLUS version 12.1 (2003), AspenTech, “Modelling Coal Combustion”, Getting Started Modelling Processes with Solids, Pages 41-65 Cerca con Google

11. Atkinson, R. “Atmospheric chemistry of VOCs and NOx”, Atmospheric Environment, Volume 34, Issues 12-14, 2000, Pages 2063-2101 Cerca con Google

12. Atkinson, R. and W. P. L. Carter, W.P.L. "Kinetics and Mechanisms of the Gas-Phase Reactions of Ozone with Organic Compounds under Atmospheric Conditions," Chem. Rev. 1984, Pages 437-470 Cerca con Google

13. Banks P.S., Irons K.A., Woodman M.R., “Interoperability of Process Simulation Software”, Oil & Gas Science and Technology – Rev. IFP, Volume 60, No. 4, 2005, Pages 607-616 Cerca con Google

14. Banks P., Edwards P.,Rodriguez J.C., Martin R., Williams M., Cebollero S., Halloran M. “CO-LaN” (1999). CAPE OPEN Open Interface Specifications Unit Operations, COCUNIT- 1 Version 2.0. Available from: http://www.colan.org/Spec%2010/Unit%20Operations%20Interface%20Specification.pdf (last accessed october 2007) Vai! Cerca con Google

15. Barratt M.D., Rodford R.A. “The computational prediction of toxicity”, Current Opinion in Chemical Biology, Volume 5, 2001, Pages 383-388 Cerca con Google

16. Batterham R.J., “Sustainability- The next chapter”, Chemical Engineering Science, Volume 61, Issue 13, 2006, Pages 4188-4193 Cerca con Google

17. “BELUG” (2007). Available from: Bellevue Linux Users Group, http://www.bellevuelinux.org/database.html (last accessed october 2007) Vai! Cerca con Google

18. Bell-Loncella E.T. “Geometry Optimization -- An Overview” (2004). Available from: University of Pittsburgh and Johnstown http://chemed.chem.pitt.edu/cacc/CACheTutorial/optimizing-overview.htm (last accessed october 2007) Vai! Cerca con Google

19. Benfenati E., Gini G. “Computational predictive programs (expert systems) in toxicology”, Toxicology, Volume 119, 1997, Pages 213-225 Cerca con Google

20. Best S.A., Merz K.M, Reynolds C.H. “Free Energy Perturbation Study of Octanol/Water Partition Coefficients: Comparison with Continuum GB/SA Calculations”, Journal of Physical Chemistry, Volume 103, 1999, Pages 714-726 Cerca con Google

21. Biegler B.T., Grossmann I.E., Westerberg A.W. Systematic Methods of Chemical Process Design. NewJersey: Prentice Hall, 1997 Cerca con Google

22. Borrego C., Tchepel O., Costa A.M., Amorim J.H., Miranda, A.I. “Emission and dispersion modelling of Lisbon air quality at local scale”, Atmospheric Environment, Volume 37, 2003, Pages 5197-5205 Cerca con Google

23. Bumble S. Computer Simulated Plant Design for Waste Minimization/Pollution Prevention, Florida: Lewis Publisher, 2000 Cerca con Google

24. Buchwald P., Bodor N. “Octanol-Water Partition: Searching for Predictive Models” Current Medical Chemistry, Volume 5, 1998, Pages 353-380 Cerca con Google

25. Cabezas, H., Bare, J.C., Mallick, S.K. “Pollution Prevention with Chemical Process Simulators: The Generalized Waste Reduction (WAR) Algorithm”, Computers & Chemical Engineering, Volume 21, Supplement 1, 20 May 1997, Pages S305-S310 Cerca con Google

26. Cabezas H., Bare J.C.,Mallick S.K. “Pollution prevention with chemical process simulators: the generalized waste reduction (WAR) algorithm—full version”, Computers & Chemical Engineering, Volume 23, Issues 4-5, 1 May 1999, Pages 623-634 Cerca con Google

27. CAPE-OPEN Project Team (2000), “Conceptual Design Document (CDD2) for CAPEOPEN Project” Cerca con Google

28. Charpentier J.C. “In the frame of globalization and sustainability, process intensification, a path to the future of chemical and process engineering (molecules into money)”, Chemical Engineering Journal, Volume 134, 2007, Pages 84–92 Cerca con Google

29. “ChE” (2007). Available from: Chemical Engineering Department, West Virginia University http://www.che.cemr.wvu.edu/publications/projects/ (last accessed october 2007) Vai! Cerca con Google

30. “CO-LaN” (2007) Available from: CAPE-OPEN Laboratories Network http://www.colan.org/index-33.html (last accessed october 2007) Vai! Cerca con Google

31. “COSMOlogic” (2007). Available from: COSMOlogic GmbH&CoKG http://www.cosmologic.de/ChemicalEngineering/theory_background.html (last accessed october 2007) Vai! Cerca con Google

32. COSMOTherm versionC21-0106, A Graphical User Interface to the COSMOtherm Program Tutorial, developed by COSMOlogic GmbH & Co. KG Cerca con Google

33. “Database Design Resource” (2007). Available from: http://www.databasedesign-resource.com/database-glossary.html (last accessed october 2007) Vai! Cerca con Google

34. D’Anterroches L., Gani R., Harper P.M., Hostrup M. “CAMD and CAFD (Computer- Aided Flowsheet Design)”. Available from: http://www.capec.kt.dtu.dk/documents/overview/camd-cafd-2004.pdf (last accessed november 2007) Vai! Cerca con Google

35. “Development Cycles” (2007). Available from: http://www.devarticles.com/c/a/Development-Cycles/Entity-Relationship-Modelling/1/ (last accessed october 2007) Vai! Cerca con Google

36. Di Marzio W. and Saenz M.E. “Quantitative structure–activity relationshipfor aromatic hydrocarbons on freshwater fish” Ecotoxicology and Environmental Safety, Volume 59, 2004, Pages 256–262 Cerca con Google

37. Eckert F., Klamt A., COSMOtherm, Version C2.1, Release 01.05; COSMOlogic GmbH&Co.KG, Leverkusen, Germany, 2005 Cerca con Google

38. “EEA” (2007). Available from: European Environmental Agency, http://reports.eea.europa.eu/NYM2/en/page006.html (last accessed october 2007) Vai! Cerca con Google

39. Eike D.M. Property Prediction of Novel Compounds using Statistical Analysis and Molecular Simulation, PhD Thesis, University of Notre Dame, 2006 Cerca con Google

40. “FAA” (2007). Options to use of Halons for Aircraft Fire Suppression Systems- 2002 Update. Available from: Federal Aviation Administration Fire Safety http://www.fire.tc.faa.gov/pdf/99-63.pdf (last accessed october 2007) Vai! Cerca con Google

41. Feng X., Wu Z., Chen X. “Removal of metal ions from electroplating effluent by EDI process and recycle of purified water”, Separation and Purification Technology, Volume 57, 2007, Pages 257–263 Cerca con Google

42. Fermeglia M., Pricl S., Longo G. “Molecular Modelling and Process Simulation: Real Possibilities and Challenges”, Chemical and Biochemical Engineering Quarterly, Volume 17, 2003, Pages 69-79 Cerca con Google

43. Fermeglia M., Braiuca P., Gardossi L., Pricl S., Halling P.J. “In Silico Prediction of Medium Effects on Esterification Equilibrium Using the COSMO-RS Method”, Biotehcnology Progress, Volume 22, 2006, Pages 1146-1152 Cerca con Google

44. Fermeglia M., Pricl S. “Sources of Thermodynamics Data: Databanks and Predictive Models”, 2007 Cerca con Google

45. Finlayson-Pitts B.J., and Pitts J.N.Jr. Chemistry of the Uppern and Lower Atmosphere, London: Academic Press, 2000 Cerca con Google

46. Flynn G. “The Kinetics of Atmospheric Ozone”. Available from: Columbia University, Intensive General Chemistry Course http://www.columbia.edu/itc/chemistry/chem-2407/hw/ozone_kinetics.pdf (last accessed october 2007) Vai! Cerca con Google

47. García-Serna J., Perez-Barrigon L., Cocero M.J. “New trends for design towards sustainability in chemical engineering: Green engineering”, Chemical Engineering Journal, Volume 133, 2007, Pages 7–30 Cerca con Google

48. Gaughran W. F., Burke S. Phelan P. “Intelligent manufacturing and environmental sustainability”, Robotics and Computer-Integrated Manufacturing, Volume 23, 2007, Pages 704–711 Cerca con Google

49. GAW Reoprt No.171, A WMO/GAW Expert Workshop on Global Long-Term Measurements of Volatile Organic Compounds (VOCs), Geneva, Switzerland, 30 January -1 February 2006. Available from: http://instaar.colorado.edu/arl/pdf/gaw171final.pdf (last accessed november 2007) Vai! Cerca con Google

50. GCO Consortium. “Global CAPE-OPEN Delivering the power of component software and open standard interfaces in computer-aided process engineering”. Available from: http://www.ims.org/down/2.4.8.2%20Final%20Report%20%20GCO.pdf?PHPSESSID=74310d2afca4d7a61a96c4aa0f99f271 (last accessed october 2007) Vai! Cerca con Google

51. Glavi? P., Lukman R. “Review of sustainability terms and their definitions”, Journal of Cleaner Production, Volume 15, 2007, Pages18751885 Cerca con Google

52. Glifillan I. “Introduction to Relational Databases”. Available from: http://www.databasejournal.com/sqletc/article.php/1469521 (last accessed october 2007) Vai! Cerca con Google

53. Gmehling, J. “Potential of group contribution methods for the prediction of phase equilibria and excess properties of complex mixtures”, Pure and Applied Chemistry, Volume 75, No. 7, 2003, Pages 875–888 Cerca con Google

54. Gramatica P., Pilutti P., Papa E. “A tool for the assessment of VOC degradability by tropospheric oxidants starting from chemical structure”, Atmospheric Environment, Volume 38, 2004, Pages 6167–6175 Cerca con Google

55. Güsten H. “Predicting the abiotic degradability of organic pollutants in the troposphere”, Chemosphere, Volume 38, 1999, Pages 1361-1370 Cerca con Google

56. Hansch C., Muir R., Fujita T., Peyton P., Maloney P., Geiger F., Streich, M., 1963. “The correlation of biological activity of plant growth regulators and chloromycetin derivates with Hammett constants and partition coefficients”, Journal of American Chemical Society, Volume 85, 1963, Pages 2817-2824 Cerca con Google

57. Hansen B.G., Van Haelst A.G., Van Leeuwen, K., Van der Zandt, P. “Priority setting for existing chemicals: European union risk ranking method”, Environmental Toxicology and Chemistry, Volume 18, 1999, Pages 772–779 Cerca con Google

58. Heluane H., Colombo M., Hernandez M.R., Graells M., Puigjaner L. “Enhancing sugar cane process performance through optimal production scheduling”, Chemical Engineering and Processing, Volume 46, 2007, Pages 198–209 Cerca con Google

59. Hesketh R.P., Abraham M.A. “Pollution Prevention Education in Chemical Reaction Engineering”, Reaction Engineering for Pollution Prevention, Elsevier Science, 2000 Cerca con Google

60. Hohenstein WG, Wright LL.“Biomass energy production in the United States: an overview”, Biomass and Bioenergy, Volume6, Issue 3, 1994, Pages 161–73 Cerca con Google

61. Holmberg I., ’kerblom S. “The production of outstanding leadership — an analysis of leadership images in the Swedish media”, Scandinavian Journal of Management, Volume 17, 2001, Pages 67-85 Cerca con Google

62. IChemE CAPE Subject Group UK (1999) “The Use of Computers by Chemical Engineers”. Available from: http://www.icheme.org/enetwork/files/draft/80767/guidelines/Consolidated_Guidelines.pdf (last accessed october 2007) Vai! Cerca con Google

63. ICS-UNIDO (2007), International Centre for Science and High Technology-United Nations Industrial Development Organization (UNIDO). Available from: www.ics.trieste.it (last accessed december 2007) Vai! Cerca con Google

64. Janssen L.J.J., Koene L. “The role of electrochemistry and electrochemical technology in environmental protection”, Chemical Engineering Journal, Volume 85, Issue 2–3, 2002, Pages137–146. Cerca con Google

65. Jeliazkova N.N., Jaworska J. “An Approach to Determining Applicability Domains for QSAR Group Contribution Models: An Analysis of SRC KOWWIN”, ATLA: Alternatives to Laboratory Animals, Volume 33, 2005, Pages 461-470. Available on line: http://altweb.jhsph.edu/publications/journals/atla/33_5/Nikolova_33.5.pdf (last accessed november 2007) Vai! Cerca con Google

66. Jenck J.F, Agterberg F., Droescher M. “Products and processes for a sustainable chemical indutry: a review of achievements and prospects”, Green Chemistry, Volume 6, 2004, Pages 544-556 Cerca con Google

67. Jüttner K., Galla U., Schmieder H. “Electrochemical approaches to environmental problems in the process industry”, Electrochimica Acta, Volume 45, Issue 15–16, 2000, Pages 2575–2594 Cerca con Google

68. Kaiser K.L.E, “The use of neural networks in QSARs for acute aquatic toxicological endpoints”, Journal of Molecular Structure (Theochem), Volume 622, 2003, Pages 85–95 Cerca con Google

69. Karhela T., A Software Architecture for Configuration and Usage of Process Simulation Models Software Component Technology and XML-based Approach, PhD Thesis, Technical Research Centre of Finland, 2002 Cerca con Google

70. Korevaar G., Sustainable Chemical Processes and Products- New Design Methodology and Design Tools, PhD Thesis , Technical University of Delft, 2004 Cerca con Google

71. Korevaar, G., Harmsen G.J., Lemkowitz, S.M. “Sustainability in process Design Methodology”, 21st Annual European AIChE Colloquim, 20 April 2000, The Hague, Netherlands Cerca con Google

72. Klamt A., Eckert F. “COSMO-RS: a novel and efficient method for the a priori prediction of thermophysical data of liquids”, Fluid Phase Equilibria, Volume 172, 2002, Pages 43–72 Cerca con Google

73. Klamt A. COSMO-RS: From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design. Netherlands: Elsevier, 2005 Cerca con Google

74. Klamt A. “Estimation of Gas-Phase Hydroxyl Radical Rate Constants of Organic Compounds based on Molecular Orbital Calculations”, Chemosphere, Volume 32, No. 4, 1993, Pages 171-726 Cerca con Google

75. Klamt A. “Estimation of Gas-Phase Hydroxyl Radical Rate Constants of Oxigenated Compounds from Molecular Orbital Calculations”, Chemosphere, Volume 26, No.7, 1996, Pages 1273-1289 Cerca con Google

76. KOWWIN version 1.67 (2000), U.S. EPA Cerca con Google

77. Kwok E.S.C., Atkinson R. “Estimation of Hydroxyl Radical Reaction Rate Constants for Gas-Phase Organic Compounds using a Structure-Reactivity Relationship: Un Update”, Atmospheric Environment, Volume 29, No.14, 1995, Pages1685-1695 Cerca con Google

78. Lin Z., Shi P., Gao S., Wang L., Yu H. “Use of partition coefficients to predict mixture toxicity”, Water Research, Volume 37, 2003, Pages 2223–2227 Cerca con Google

79. Lyubartsev A.P., Jacobsson S.P., Sundholm G., Laaksonen A. “Solubility of Organic Compounds in Water/Octanol Systems. A Expanded Ensemble Molecular Dynamics Simulation Study of log P Parameters”, Journal of Chemical Physics, Volume 105, 2001, Pages 7775-7782 Cerca con Google

80. Marrero J., Gani G. “Group contribution based estimation of pure component properties”, Fluid Phase Equilibria, Volume 183, 2001, Pages 183-208 Cerca con Google

81. Martins, A.A., Mata, T.M., Costa, C.A.V., Sikdar, S.K. “Framework for Sustainability Metrics”, Industrial and Engineering Chemical Research, Volume 46, Issue 10, 2007, Pages 2962 –2973 Cerca con Google

82. “Management-Hub.com” (2007). Available from: http://www.management-hub.com/database-design-success.html (last accessed october 2007) Vai! Cerca con Google

83. Mebratu D. “Sustainability and Sustainable Development: Historical and Conceptual review”, Environmental Impact Assessment Review, Volume 18, 1998, Pages 493–520 Cerca con Google

84. Mebratu D. Sustainability as a Scientific Paradigm. Masters Thesis. Lund: International Institute for Industrial Environmental Economics, Lund University, 1996 Cerca con Google

85. Monod A., Poulain L., Grubert S., Voisin D., Wortham H. “Kinetics of OH-initiated oxidation of oxygenated organic compounds in the aqueous phase: new rate constants, structure–activity relationships and atmospheric implications”, Atmospheric Environment, Volume 39, 2005, Pages 7667–7688 Cerca con Google

86. Mullins E., Oldland R., Liu Y.A., Wang S., Sandler S.I., Chen C.C., Zwolak M., Seavey K.C. “Sigma-Profile Database for Using COSMO-Based Thermodynamic Methods”, Industrial and Engineering Chemical Research, Volume 45, 2006, Pages 4389-4415 Cerca con Google

87. “MySQL”(2007). Available from: http://www.devarticles.com/c/a/MySQL/Introductory-Database-Theory-Systems-And-Design/ (last accessed october 2007) Vai! Cerca con Google

88. “Sugar production and the multiple effect evapourator” (2007). Available from: National Historic Chemical Landmarks, American Chemical Society, http://center.acs.org/landmarks/landmarks/sugar/sug3.html (last accessed october 2007) Vai! Cerca con Google

89. “NaturalGas.org” (2004). Available from: http://www.naturalgas.org/naturalgas/processing_ng.asp (last accessed october 2007) Vai! Cerca con Google

90. “NIST Chemistry WebBook” (2005). Available from: National Institute of Standards and Technology http://webbook.nist.gov/chemistry/ (last accessed october 2007) Vai! Cerca con Google

91. “NJSSI” (2007). Available from: New Jersey Sustainable State Institute http://njssi.org/about.asp?Level2ItemID=55 (last accessed october 2007) Vai! Cerca con Google

92. “NLM” (2007). Available from: National Library of Medicine, http://chem.sis.nlm.nih.gov/chemidplus/ (last accessed october 2007) Vai! Cerca con Google

93. Paperback dictionary and thesaurus, Glasgow: Harper Collins Publishers, 1994 Cerca con Google

94. Pigeon, L., Testard, L., Gautier, T. and Roux, P. “Towards a Distributed High Performance Computing Environment for CAPE-OPEN Standard”, 7th World Congress of Chemical Engineering, 10-14 July 2005, Glasgow (Scotland) Cerca con Google

95. “Pirika”(2004). Available from: Virtual Material and Process Simulation Center, http://www.pirika.com/chem/TCPEE/LOGKOW/ourlogKow.htm (last accessed october 2007) Vai! Cerca con Google

96. Pons, M. “Industrial implementation of the CAPE-OPEN standard”, AIDIC Conference Series, Volume 6, 2003, Pages 253-262 Cerca con Google

97. Pompe M., Veber M., “Prediction of rate constants for the reaction of O3 with different organic compounds”, Atmospheric Environment Volume 35 , 2001, Pages 3781–3788 Cerca con Google

98. Prather M. “Lifetimes of atmospheric species: Integrating environmental impacts”, Geophysical Research Letters, Volume 29, No. 22, 2002 Cerca con Google

99. Rajagopalan S., Datar R.P., Lewis R.S. “Formation of ethanol from carbon monoxide via a new microbial catalyst”, Biomass and Bioenergy, Volume 23, 2002, Pages 487 – 493 Cerca con Google

100. Rayez M.T., Rayez J.C., Berces T., Lendvay, G. “Theoretical Study of the Reactions of OH Radicals with Substituted Acetaldehydes”, Journal of Physical Chemistry, Volume 97, 1993, Pages 5570–5576 Cerca con Google

101. Ren S., Frymier P.D., Schultz T.W. “An exploratory study of the use of multivariate techniques to determine mechanisms of toxic action”, Ecotoxicology and Environmental Safety, Volume 55, 2003, Pages 86–97 Cerca con Google

102. Roeher M. The Biotechnology of Ethanol Classical and Future Applications. Weinheim, Germany: WILEY-VCH Verlag GmbH, 2001 Cerca con Google

103. Sablijic A., Peijnenburg W. “Modelling Lifetime and Degradability of Organic Compounds in Air, Soil, and Water (IUPAC Technical Report)”, Pure and Applied Chemistry, Volume 73, No. 8, 2001, Pages 1331–1348 Cerca con Google

104. “SciFinder” (2007). Availabe from: American Chemical Society http://www.cas.org/SCIFINDER/SCHOLAR/index.html (last accessed october 2007) Vai! Cerca con Google

105. Schwarz J., Beloff B., Beaver E. “Use Sustianability Metrics to Guide Decision-Making”, Environmental Protection. Available from: http://www.bridgestos.org/CEP-July.pdf (last accessed october 2007) Vai! Cerca con Google

106. Schultz T.W., Cronin M.T.D., Netzeva T.I. “The present status of QSAR in toxicology”, Journal of Molecular Structure, Volume 622, 2003, Pages 23–38 Cerca con Google

107. Shinn R.C. Jr. “The Interagency Sustainability Working Group, Living with the Future in Mind; Goals and Indicators For New Jersey’ Quality of Life.” First Annual Update to the Sustainable State Project Report 2000. Available from: http://www.state.nj.us/dep/dsr/sustainable-state/part-1.pdf (last accessed october 2007) Vai! Cerca con Google

108. Sikdar, S.K.“Sustainable Development and Sustainable Metrics”, AIChE Journal, Volume 49, 2003, Pages 1928-1932 Cerca con Google

109. Smith R.L., Mata T.M., Young D.M., Cabezas H., Costa C.A.V. “Designing environmentally friendly chemical processes with fugitive and open emissions”, Journal of Cleaner Production , Volume 12, 2004, Pages 125–129 Cerca con Google

110. “SQLserver (2007)”. Available from: http://searchsqlserver.techtarget.com/columnItem/0,294698,sid87_gci1190809,00.html (last accessed dicember 2007) Vai! Cerca con Google

111. Sousa S.I.V., Martins F.G., Alvim-Ferraz M.C.M., Pereira M.C. “Multiple linear regression and artificial neural networks based on principal components to predict ozone concentrations”, Environmental Modelling and Software, Volume 22, 2007, Pages 97- 103 Cerca con Google

112. STNEasy (2007). Available from: http://stneasy.fiz-karlsruhe.de/dbss/chemlist/risk.html (last accessed october 2007) Vai! Cerca con Google

113. Stewart J. J. P. MOPAC Manual, Version 6.0, 1990 Cerca con Google

114. “Sustainable Measures” (2007). Available from: http://www.sustainablemeasures.com/Sustainability/Definitions.html (last accessed october 2007) Vai! Cerca con Google

115. “Syrres” (1999). Available from: Syracuse Research Corporation, http://www.syrres.com/esc/docsmile.htm (last accessed october 2007) Vai! Cerca con Google

116. Tanzil D., Ma G., Beloff B. “Automating the Sustainability Metrics Approach”. AIChESpring Meeting, 25-29 April 2004, New Orleans Availabe from: BRIDGES to Sustainability Institute http://www.bridgestos.org/AIChESpring2004MetricsPPT.pdf> (last accessed october 2007) Vai! Cerca con Google

117. Tapscott R.E., Heinonen E.W., Lac J.L, Mather J.D., Moore T.A. “Tropodegradable Bromocarbons as Halon Replacements”, Halon Options Technical Working Conference 6-8 May 1991, Albuquerque, New Mexico USA Cerca con Google

118. TURBOMOLE User Manual Cerca con Google

119. Turton, R., Bailie R.C., Whiting W.B., Shaeiwitz J.A. Analysis, Synthesis and Design of Chemical Processes-Second Edition. New Jersey: Practice Hall International Series in the Physical and Chemical Engineering Sciences, 2003 Cerca con Google

120. Ulas S., Diwekar U. M.“Efficient molecular simulations for environmentally benign processes”, Molecular Simulation, Volume 32, Numbers 3-4, 2006, Pages 315-329 Cerca con Google

121. “UNEP” (2007). United Nations United Nations Environment Programm. Available from: http://www.uneptie.org/pc/cp/ncpc/home.htm (last accessed november 2007) Vai! Cerca con Google

122. “UNIDO” (2007). United Nations Industrial Development Organization. Available from: http://www.unido.org/doc/4460 (last accessed november 2007) Vai! Cerca con Google

123. “U.S.EPA” (2007). Available from: U.S.Environmental Protection Agency http://www.epa.gov/ttn/chief/ap42/ch09/final/c9s10-1a.pdf (last accessed october 2007) Vai! Cerca con Google

124. Veleva V., Ellenbecker M. “Indicators of sustainable production: framework and methodology, Journal of Cleaner Production, Volume 9, Issue 6, 2001, Pages 519-549 Cerca con Google

125. Velders G. J.M., Madronich S., Clerbaux C., Derwent R., Grutter M., Hauglustaine D., Incecik S., Ko M., Libre J.M., Nielsen O.J., Stordal F., Zhu T. “Chemical and Radiative Effects of Halocarbons and Their Replacement Compounds”, IPCC/TEAP Special Report: Safeguarding the Ozone Layer and the Global Climate System. Available from: http://arch.rivm.nl/env/int/ipcc/pages_media/SROC-final/SROC02.pdf (last accessed october 2007) Vai! Cerca con Google

126. Vincent R., Bonthoux F., Mallet G., Iparraguirre J.F., Rio S. “Méthodologie d’Evalution Simplifiée du Risque Chimique: Un Outil d’Aide à la Décision ”, INRS Hyg. Secur. Travail, 195 (Second Quarter), 7 (INRS Ref. No. ND 2233), 2005 Cerca con Google

127. Wallington T.J., Dagaut P., Liu R., Kurylo M.J. “Rate constants for the gas phase reactions of OH with C5 through C7 aliphatic alcohols and ethers: Predicted and experimental values”, International Journal of Chemical Kinetics, Volume 20, 1988, Pages 541–547 Cerca con Google

128. “Webopemedia” (2007). Availabe from: http://www.webopedia.com/TERM/e/entity_relationship_diagram.htm (last accessed october 2007) Vai! Cerca con Google

129. “WordReference.com” (2007). Available from: http://www.wordreference.com/definition/toxicity (last accessed october 2007) Vai! Cerca con Google

130. Wikipedia (2007a). Available from: Wikipedia the Free Encyclopedia http://en.wikipedia.org/wiki/Sustainability (last accessed october 2007) Vai! Cerca con Google

131. Wikipedia (2007b). Available from: Wikipedia the Free Encyclopedia http://en.wikipedia.org/wiki/Economy (last accessed october 2007) Vai! Cerca con Google

132. Wikipedia (2007c). Available from: Wikipedia the Free Encyclopedia http://en.wikipedia.org/wiki/Society (last accessed october 2007) Vai! Cerca con Google

133. Wikipedia (2007d). Available from: Wikipedia the Free Encyclopedia http://en.wikipedia.org/wiki/Conceptual_schema (last accessed october 2007) Vai! Cerca con Google

134. Wikipedia (2007e). Available from: Wikipedia the Free Encyclopedia http://en.wikipedia.org/wiki/Database_management_system (last accessed december 2007) Vai! Cerca con Google

135. Wikipedia (2007f). Available from: Wikipedia the Free Encyclopedia http://en.wikipedia.org/wiki/COSMO_Solvation_Model (last accessed november 2007) Vai! Cerca con Google

136. Wikipedia (2007g). Available from: Wikipedia the Free Encyclopedia http://en.wikipedia.org/wiki/Quantitative_structureactivity_relationship#SAR_and_SAR_paradox (last accessed november 2007) Vai! Cerca con Google

137. “ILO” (2007). Available from: International Labour Organization www.ilo.org (last accessed october 2007) Vai! Cerca con Google

138. Yaccobucci B.D., Womach J. “Fuel ethanol: background and public policy issues”, National Council for Science and the Environment. CRS issue brief for Congress, 2000. Available from: http://www.ncseonline.org/NLE/CRSreports/energy/eng-59.cfm (last accessed september 2007) Vai! Cerca con Google

139. Young D.M., Cabezas H. “Designing Sustainable processes with simulation: the waste reduction (WAR) algorithm”, Computers and Chemical Engineering, Volume 23, 1999, Pages 1477-1491 Cerca con Google

140. Young D., Scharp R., Cabezas H. “The waste reduction (WAR) algorithm: environmental impacts, energy consumption, and engineering economics”, Waste Management, Volume 20, 2000, Pages 605-615 Cerca con Google

141. Zaïane O.R. (1995). Available from: http://www.cs.sfu.ca/CC/354/zaiane/material/notes/Chapter2/node1.html (last accessed october 2007) Vai! Cerca con Google

142. Zhang Z., Saini R. D., Kurylo M. J., Huie R. E. “Rate Constants for the Reactions of the Hydroxyl Radical with Several Partially Fluorinated Ethers”, Journal of Physical Chemistry, Volume 96, 1992, Pages 9301–9304 Cerca con Google

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