Model Deployment

Applied thermodynamics has a major and essential contributing role in the 6 trillion dollar process industry. It is a key enabling science and technology for chemists and engineers in their pursuit of new and better products and processes in the industry. Continuing vigorous innovations and advances in applied thermodynamics are 

Seavey, N. P. Khare, Y. A. Liu, T. N. Williams and C.-C. Chen, A New Phase-Equilibrium Model for Simulating Nylon-6 Polymerization Processes, Ind. Eng. Chem. Res., ASAP web release date July 18, 2003. 

Downey and S. K. Gupta, Chemical Engineering Progress, December, 1999,41. 

Hansen, Hansen Solubility Parameters A User s Handbook, CRC Press, 1999. 

Tsuboi and T. Ishikawa, Fluid Phase Equilibr, 2002, 194-197, 771. 

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Outliers demand special attention in chemometrics for several different reasons. During model development, their extremeness often gives them an unduly high influence in the calculation of the calibration model. Therefore, if they represent erroneous readings, then they will add disproportionately more error to the calibration model. Furthermore, even if they represent informative information, it might be determined that this specific information is irrelevant to the problem. Outliers are also very important during model deployment, because they can be informative indicators of specific failures or abnormalities in the process being sampled, or in the measurement system itself. This use of outlier detection is discussed in the Model Deployment section (12.10), later in this chapter. 

Model deployment logistics might not be academically interesting, but they are absolutely critical for project success. The most effective method in the world, developed using state of the art modehng methods, is worthless unless it can be deployed in an effective, safe and sustainable manner. Unfortunately, though, the deployment landscape of chemometrics in PAT can vary widely between applications, and thus the details of model deployments can vary widely as well. Nonetheless, this section wiU attempt to provide a brief summary of the more common deployment issues that arise in PAT applications. 

For any application, the software used for model deployment is quite different than the software used for model development. This is because deployment software has a very different function, and thus very different reqnirements, than development software. Whereas development software requires flexibility and nser-friendliness, deployment software requires long-term stability, reliability, and accessibility to critical on-line data. The following are questions that reflect some conunon deployment software issues in a PAT project ... 

As shown Fig. 16.6, in the case of intra-CEP handover, where the MT moves between different domains within the same CEP, this model deploys the Pre-Authentication (Pre-AKA) protocol to achieve Pre-Authentication and Key Agreement as well as launching the security materials in the target network before the actual handover takes place and thus, reducing the handover disruption to the handover caused by the security mechanisms. Also in this step, the QoS-context is transferred and used by the access control mechanism in the new network to enforce the right access admission policy. After configuring the access... 

Quantitative estimation of the effective material properties and constitutive closure relations is of paramount importance for high-fidelity macroscopic, voliune-averaged computational models deployed in the PEFC performance simulations. The microstractural heterogeneity (e g. morphology, pore connectivity, pore size distribution, anisotropy) inherent in the PEFC components (CL, GDL, MPL) poses a profound impact on the effective transport properties, such as effective diffusivity in the unsaturated and partially saturated (e g. pore blockage by liquid water)... 

ALWRs are expected to be deployed ia the United States and ia Asian counties. However, France will use improved versions of standard reactors, considering them to be amply safe and economical. The reactors were modified after the Three-Mile Island-2 (TMI-2) accident. The company Framatome that has built most of the reactors of France is associated with Babcock Wilcox ia the United States. The new Framatome 1500 MWe N4 PWR is an extension of the successful four-loop units of 1300 MWe originally designed by Westiaghouse. Full emphasis is givea to safety, ecoaomy, and rehabiUty. More severe design criteria than those ia the former model have beea adopted. 

The classification structure for PIFs used in this chapter is based on the model of human error as arising from a mismatch between demands and resources which was described in Chapter 1, Section 1.6 (Figure 1.6). In this model demands were seen as requirements for human performance which arise from the characteristics of the process environment (e.g., the need to monitor a panel or to be able to fix a seal in a flange) and the nature of the human capabilities to satisfy these demands (e.g., skills of perception, thinking, and physical action). These demands are met by the individual and group resources of personnel and the extent to which the design of the task allows these resources to be effectively deployed. Where demands exceeded resources, errors could be expected to occur. 

Multiscale process identification and control. Most of the insightful analytical results in systems identification and control have been derived in the frequency domain. The design and implementation, though, of identification and control algorithms occurs in the time domain, where little of the analytical results in truly operational. The time-frequency decomposition of process models would seem to offer a natural bridge, which would allow the use of analytical results in the time-domain deployment of multiscale, model-based estimation and control. 

Especially for the electrons, the fluid model has the advantage of a lower computational effort than the PIC/MC method. Their low mass (high values of the transport coefficients) and consequent high velocities give rise to small time steps in the numerical simulation (uAf < Aa) if a so-called explicit method is used. This restriction is easily eliminated within the fluid model by use of an implicit method. Also, the electron density is strongly coupled with the electric field, which results in numerical Instabilities. This requires a simultaneous implicit solution of the Poisson equation for the electric field and the transport equation for the electron density. This solution can be deployed within the fluid model and gives a considerable reduction of computational effort as compared to a nonsi-multaneous solution procedure [179]. Within the PIC method, only fully explicit methods can be applied. 

Project Report (2008) Model design and deploy at pilot scale of the separation, collection and treatment of municipal solid waste for new urban zone. Vietnam Environmental Protection Agency (VEPA), Vietnam... 

In spite of the potential benefit, the possibilities of logistics simulation are often not fully exploited. Some reasons are a lack of knowledge about the basic metbod-ology and the available simulation tools, the fact that simulation models are rarely deployed more than once, and simulation investigations are often integrated into the planning process too late. 

Many advances have been made in computational ADME modeling. For many ADME properties, models now exist which provide reasonably good predictive quality and can be deployed to aid medicinal chemists in drug discovery projects. 

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