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Optimization of Process Methodology for Specialty and Fine Chemicals

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Green Chemistry".

Deadline for manuscript submissions: 31 December 2026 | Viewed by 874

Special Issue Editors


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Guest Editor
Department of Engineering and Technology of Chemical Processes, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wrocław, Poland
Interests: biomaterial applications; applied organic chemistry; processes optimization; chemical technology; process development; process engineering; chemical processes
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Guest Editor
Department of Engineering and Technology of Chemical Processes, Organic and Pharmaceutical Technology Group, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 29, 50-370 Wrocław, Poland
Interests: surfactants; surface chemistry; fined chemistry; modification; optimization; chemical technology

Special Issue Information

Dear Colleagues,

We are pleased to invite you to contribute to the upcoming Special Issue of Molecules entitled “Optimization of Process Methodology for Specialty and Fine Chemicals”.

The specialty and fine chemicals sectors continue to evolve rapidly in response to growing global demand for high‑value chemical entities, including pharmaceutical intermediates, functional materials, agrochemical components, and performance‑driven formulations. As these industries shift toward more flexible, efficient, and sustainable production paradigms, the optimization of chemical processes has become increasingly critical. This Special Issue of Molecules aims to highlight recent advances, emerging methodologies, and innovative strategies that support the next generation of specialty and fine chemical manufacturing.

This Special Issue seeks to assemble high‑quality original research articles and comprehensive reviews that advance contemporary methodologies for the optimization of chemical processes within these sectors. Emphasis is placed on approaches that enhance process efficiency, sustainability, scalability, and technological innovation. Submissions are encouraged that address the rational design and refinement of unit operations for small‑scale, high‑precision manufacturing; the development and optimization of formulations with tailored physicochemical or functional properties; and the integration of renewable, biomass‑derived, or otherwise sustainable feedstocks into fine‑chemical production pathways.

We particularly welcome contributions focusing on model‑based and data‑driven optimization, digitalization and automation of process control, green chemistry approaches, and methodologies, aimed at reducing energy consumption, waste generation, or environmental impact.

Studies that explore the implementation of advanced analytical tools, process monitoring technologies, or computational frameworks to support decision‑making and process intensification are also of strong interest.

We welcome contributions covering, but not limited to:

  • Process intensification and advanced reactor technologies;
  • Reaction and separation optimization;
  • Design of experiments (DoE) and statistical process design;
  • Unit and process operations for fine and specialty chemicals;
  • Catalytic and non‑catalytic methodologies;
  • Green chemistry and sustainable process development
  • Data‑driven, modeling‑assisted, or hybrid optimization strategies;
  • Digitalization, automation, and smart manufacturing concepts.

The Special Issue seeks to provide a platform for both fundamental insights and applied solutions relevant to academia and industry. Contributions that bridge scientific innovation with practical implementation are especially encouraged.

Dr. Sebastian Balicki
Dr. Łukasz Lamch
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • process optimization
  • specialty and fine chemicals
  • process intensification
  • numerical and statistical optimization
  • design of experiments
  • green and sustainable chemistry
  • chemical engineering
  • data driven and model-based process design

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Published Papers (3 papers)

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Research

16 pages, 2801 KB  
Article
Effect of Experimental Parameters on Cavitation Dose in Ultrasonic Baths via Modified Aluminum Foil Test
by Svetlana Saikova, Diana Nemkova and Anton Krolikov
Molecules 2026, 31(8), 1291; https://doi.org/10.3390/molecules31081291 - 15 Apr 2026
Abstract
Ultrasonic cavitation is a key mechanism in the dispersion and erosion of solid materials in liquids; however, the influence of processing conditions and medium properties on its efficiency in ultrasonic baths remains poorly systematized. Despite the widespread use of ultrasonic baths in materials [...] Read more.
Ultrasonic cavitation is a key mechanism in the dispersion and erosion of solid materials in liquids; however, the influence of processing conditions and medium properties on its efficiency in ultrasonic baths remains poorly systematized. Despite the widespread use of ultrasonic baths in materials processing, general optimization principles are lacking, and operating parameters are typically determined empirically for each system. In this work, cavitation activity was quantitatively assessed using an aluminum foil erosion test, with the foil clamped in a plastic frame to evaluate the mechanical effects of cavitation. The effects of ultrasonic power, frequency, treatment time, temperature, solvent nature, and vessel material on the foil mass loss were systematically investigated. The results demonstrate that both the instrumental parameters and physicochemical properties of the dispersion medium, including viscosity and surface tension, significantly affect the cavitation activity. Solvents with lower cavitation thresholds and favorable acoustic properties promote more intense erosion, while the vessel material and geometry also influence energy transmission to the liquid. This study provides a systematic framework for assessing the cavitation dose in ultrasonic baths and offers practical guidelines for optimizing ultrasonic dispersion processes and improving their reproducibility. Full article
(This article belongs to the Special Issue Optimization of Process Methodology for Specialty and Fine Chemicals)
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15 pages, 6361 KB  
Article
Extraction and Recovery of Flavonoids from Tartary Buckwheat Using Deep Eutectic Solvents
by Xueting Feng, Tingting Huang, Jinmei Feng and Xiaoling Wang
Molecules 2026, 31(8), 1261; https://doi.org/10.3390/molecules31081261 - 11 Apr 2026
Viewed by 351
Abstract
In recent years, the green extraction of natural active ingredients has generated widespread attention. And deep eutectic solvents have widely replaced traditional organic solvents. In this study, choline chloride/glycolic acid (1:2) was chosen as the optimal extractant to extract flavonoids from Tartary buckwheat. [...] Read more.
In recent years, the green extraction of natural active ingredients has generated widespread attention. And deep eutectic solvents have widely replaced traditional organic solvents. In this study, choline chloride/glycolic acid (1:2) was chosen as the optimal extractant to extract flavonoids from Tartary buckwheat. The optimal extraction conditions were as follows: water content of 30%, liquid–solid ratio of 40 mL/g, extraction temperature of 60 °C and extraction time of 40 min. And the extraction efficiency reached 27.22 ± 0.31 mg/g. Then kinetic and thermodynamic mechanisms were investigated comprehensively, and the results showed that the extraction process could be well fitted by Fick’s second law. In addition, macroporous resins were used to recover flavonoids from extracts. The adsorption efficiency of flavonoids on HP20 resins under the optimal conditions (time of 2 h, liquid–resin ratio of 2.5 mL/g, temperature of 25 °C) could reach 80.14 ± 0.33%. Full article
(This article belongs to the Special Issue Optimization of Process Methodology for Specialty and Fine Chemicals)
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14 pages, 3217 KB  
Article
Optimization of Droplet Granulation Process for HNS-IV Explosives Utilizing Pulsed Air-Jet Shear Technology
by Yuruo Zhang, Jinbo Liu, Peng Zhu and Jingyu Wang
Molecules 2026, 31(6), 1058; https://doi.org/10.3390/molecules31061058 - 23 Mar 2026
Viewed by 297
Abstract
To achieve precise control over droplet size and generation frequency in the granulation process of HNS-IV, this study introduces a novel droplet granulation strategy that utilizes pulsed air-jet shearing technology. This approach enables independent and precise regulation of droplet injection frequency (fg) and [...] Read more.
To achieve precise control over droplet size and generation frequency in the granulation process of HNS-IV, this study introduces a novel droplet granulation strategy that utilizes pulsed air-jet shearing technology. This approach enables independent and precise regulation of droplet injection frequency (fg) and volume (V) through systematic adjustments of air pressure (P), frequency (fp), duty cycle (η), and liquid flow rate (Q). By controlling the suspension flow rate (Q), we successfully achieved primary particle size control, obtaining median particle sizes (D50) of 375.84 μm, 444.45 μm, and 504.22 μm in ascending order. Furthermore, we systematically investigated the influence of calcium alginate (CA) concentration on both the sphericity of the resultant particles and the thermal decomposition characteristics of HNS microspheres. Our findings demonstrate that while increased CA content enhances particle sphericity, it simultaneously affects the thermal decomposition behavior of the microspheres. The proposed pulsed air-jet shearing method offers significant advantages by significantly reducing the accumulation of volatile organic solvents typical of liquid–liquid biphasic systems. Furthermore, the residual non-toxic aqueous solutions can be easily managed, establishing a greener, safer, and highly controllable approach for HNS-IV granulation. This methodology presents a valuable reference for achieving precise and controllable granulation of various energetic materials. Full article
(This article belongs to the Special Issue Optimization of Process Methodology for Specialty and Fine Chemicals)
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