Literature DB >> 30004708

An Alternative Approach to Estimate Solute Concentration: Exploiting the Information Embedded in the Solid Phase.

Stefan Bötschi1, Ashwin Kumar Rajagopalan1, Manfred Morari2, Marco Mazzotti1.   

Abstract

The solute concentration in crystallization processes is generally estimated by observing properties of the liquid phase. Here, a novel method for online estimation of the change in the solute concentration caused by seeded batch crystallization or dissolution of a population of crystals in suspension is presented. The method is based on multiprojection imaging to track variations in the total solid volume of the population, thus enabling inference of the solute concentration through the mass conservation constraint. The solute concentration estimates obtained in this way are validated by using them to measure the solubilities of β l-glutamic acid and vanillin in water within certain temperature ranges and comparing them to literature data. The presented method shows promise in estimating the solute concentration reliably under circumstances where employing conventional techniques is challenging.

Entities:  

Year:  2018        PMID: 30004708     DOI: 10.1021/acs.jpclett.8b01998

Source DB:  PubMed          Journal:  J Phys Chem Lett        ISSN: 1948-7185            Impact factor:   6.475


  2 in total

1.  Accounting for the Presence of Molecular Clusters in Modeling and Interpreting Nucleation and Growth.

Authors:  Byeongho Ahn; Luca Bosetti; Marco Mazzotti
Journal:  Cryst Growth Des       Date:  2021-12-07       Impact factor: 4.076

2.  Solubility of Organic Salts in Solvent-Antisolvent Mixtures: A Combined Experimental and Molecular Dynamics Simulations Approach.

Authors:  Zoran Bjelobrk; Ashwin Kumar Rajagopalan; Dan Mendels; Tarak Karmakar; Michele Parrinello; Marco Mazzotti
Journal:  J Chem Theory Comput       Date:  2022-07-14       Impact factor: 6.578

  2 in total

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