Process design organization Calculations

Steam service, 426 Type, 400 Valves, parts, 412 Pressure-vacuum relief, 466 Calculations, 469 Emergency venting, 476-479 Equipment (valves), 468, 478, 480 Fire exposure, 479 Free air, 469, 474 Specification work sheet, 481 Thermal oulbreathing, 468, 469 Vacuum inbreathing, 468, 469, 475 Process check list, 35 Process design organization, 1, 2 Calculations, 37-39 Costs, 43 Manhours, 40-43 Scope, 2... 

Mass index (MI) is defined as the total mass used in a process/process step divided by the mass of product and it is approximately the E-factor plus one. A software package, the Environmental Assessment Tool for Organic Syntheses (EATOS), has been designed to calculate some of these metrics. More elaborate assessments such as life cycle assessment (LCA), could be performed, but this is also beyond the scope of this chapter. Our objective is to provide a preliminary assessment for the community to determine if further development of any guanidine organocatalysis is appropriate for use in green chemistry. 

Many of the requirements having to do with marine standards are managed by classification societies. These are nongovernmental organizations that set technical rules, confirm that designs and calculations meet these rules, survey ships and structures during the process of construction and commissioning, and periodically survey vessels once they are in service. Their scope covers offshore structures. 

A separator divides a process stream into three phases a liquid organic stream, a liquid aqueous stream, and a gas stream. The feed stream contains three components, all of which are present to some extent in the separated steams. The composition and flowrate of the feed stream are known. All the streams will be at the same temperature and pressure. The phase equilibria for the three phases is available. How many design variables need to be specified in order to calculate the output stream compositions and flow rates ... 

The final part is devoted to a survey of molecular properties of special interest to the medicinal chemist. The Theory of Atoms in Molecules by R. F.W. Bader et al., presented in Chapter 7, enables the quantitative use of chemical concepts, for example those of the functional group in organic chemistry or molecular similarity in medicinal chemistry, for prediction and understanding of chemical processes. This contribution also discusses possible applications of the theory to QSAR. Another important property that can be derived by use of QC calculations is the molecular electrostatic potential. J.S. Murray and P. Politzer describe the use of this property for description of noncovalent interactions between ligand and receptor, and the design of new compounds with specific features (Chapter 8). In Chapter 9, H.D. and M. Holtje describe the use of QC methods to parameterize force-field parameters, and applications to a pharmacophore search of enzyme inhibitors. The authors also show the use of QC methods for investigation of charge-transfer complexes. 

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