Data modeling for batch processes data with application to winemaking

2004 ◽  
Author(s):  
O.R. Natale ◽  
L. Glielmo ◽  
F. Vasca
Keyword(s):  
Data Modeling ◽  
Batch Processes

Agile Development with 3D Data Modeling

2015 ◽  
Vol 10 (6) ◽  
pp. 558 ◽  
Author(s):  
Kristian Sestak ◽  
Zdenek Havlice
Keyword(s):  
Data Modeling ◽  
Agile Development ◽  
3D Data

Room Temperature Flow Electrochemistry as a Means of Retaining the “Memory of Chirality” via Hofer Moest Type Reaction

2020 ◽  
Author(s):  
Tomas Hardwick ◽  
Rossana Cicala ◽  
Nisar Ahmed
Keyword(s):  
Continuous Flow ◽  
Room Temperature ◽  
Biological Activities ◽  
Supporting Electrolyte ◽  
Enantiomeric Excess ◽  
Flow Chemistry ◽  
Batch Processes ◽  
Enabling Technology ◽  
Chiral Compounds ◽  
Memory Of Chirality

<p>Many chiral compounds have become of great interest to the pharmaceutical industry as they possess various biological activities. Concurrently, the concept of “memory of chirality” has been proven as a powerful tool in asymmetric synthesis, while flow chemistry has begun its rise as a new enabling technology to add to the ever increasing arsenal of techniques available to the modern day chemist. Here, we have employed a new simple electrochemical microreactor design to oxidise an L-proline derivative at room temperature in continuous flow. Flow performed in microreactors offers up a number of benefits allowing reactions to be performed in a more convenient and safer manner, and even allow electrochemical reactions to take place without a supporting electrolyte due to a very short interelectrode distance. By the comparison of electrochemical oxidations in batch and flow we have found that continuous flow is able to outperform its batch counterpart, producing a good yield (71%) and a better enantiomeric excess (64%) than batch with a 98% conversion. We have, therefore, provided evidence that continuous flow chemistry has the potential to act as a new enabling technology to replace some aspects of conventional batch processes. </p>

Combining First-Principles and Data Modeling for the Accurate Prediction of the Refractive Index of Organic Polymers

2017 ◽  
Author(s):  
Mohammad Atif Faiz Afzal ◽  
Chong Cheng ◽  
Johannes Hachmann
Keyword(s):  
First Principles ◽  
Data Modeling ◽  
Accurate Prediction ◽  
Index Of Refraction ◽  
Structure Theory ◽  
Organic Polymers ◽  
Number Density ◽  
Lorenz Equation ◽  
In Silico Studies ◽  
Wide Range

Organic materials with a high index of refraction (RI) are attracting considerable interest due to their potential application in optic and optoelectronic devices. However, most of these applications require an RI value of 1.7 or larger, while typical carbon-based polymers only exhibit values in the range of 1.3–1.5. This paper introduces an efficient computational protocol for the accurate prediction of RI values in polymers to facilitate in silico studies that an guide the discovery and design of next-generation high-RI materials. Our protocol is based on the Lorentz-Lorenz equation and is parametrized by the polarizability and number density values of a given candidate compound. In the proposed scheme, we compute the former using first-principles electronic structure theory and the latter using an approximation based on van der Waals volumes. The critical parameter in the number density approximation is the packing fraction of the bulk polymer, for which we have devised a machine learning model. We demonstrate the performance of the proposed RI protocol by testing its predictions against the experimentally known RI values of 112 optical polymers. Our approach to combine first-principles and data modeling emerges as both a successful and highly economical path to determining the RI values for a wide range of organic polymers.

METHOD FOR SYNTHESIS OF CONCEPTUAL DATA MODELS BASED ON PROCESS DOMAIN MODELS

2020 ◽  
pp. 80-87
Author(s):  
С.И. Рябухин
Keyword(s):  
Data Modeling ◽  
Database Design ◽  
Data Models ◽  
Process Models ◽  
Domain Models ◽  
Conceptual Data

Процессные модели предметной области широко применяются при проектировании баз данных, а именно в ходе концептуального моделирования данных. Предлагается решение проблемы неоднозначности преобразования процессных доменных моделей типа SADT в концептуальные модели данных. Domain process models are widely used in database design, namely in conceptual data modeling. The solution of the problem of ambiguity of transformation of process domain models of the SADT type into conceptual data models is proposed.

Research on Multistage-based MPCA Modeling and Monitoring Method for Batch Processes

2010 ◽  
Vol 36 (9) ◽  
pp. 1312-1320 ◽  
Author(s):  
Yu-Qing CHANG ◽  
Shu WANG ◽  
Shuai TAN ◽  
Fu-Li WANG ◽  
Jie YANG
Keyword(s):  
Batch Processes ◽  
Monitoring Method

Advance in Moving Object Data Modeling under Geographic Network Environment

2013 ◽  
Vol 15 (3) ◽  
pp. 328
Author(s):  
Hengcai ZHANG ◽  
Feng LU ◽  
Jie CHEN
Keyword(s):  
Data Modeling ◽  
Moving Object ◽  
Network Environment
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