Solvent selection methodology for pharmaceutical processes: Solvent swap

Papadakis, Emmanouil; Tula, Anjan K.; Gani, Rafiqul

doi:10.1016/j.cherd.2016.09.004

Cited by 48 publications

(21 citation statements)

References 22 publications

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“…In a solvent extraction process, the main task is to find the most suitable solvent to extract the phytochemicals of interest from the raw vegetable material [16][17][18]. However, during the early stages of the extraction process, experiment-based methods are usually employed to select the best performing solvent from a preselected shortlist [19], which implies spending, reagents, time, human resources, and installed capacity, among other resources.…”

Section: Cga Solid-liquid Extraction Processmentioning

confidence: 99%

Numerical determination of the correct solvents to extract a phytochemical from coffee pulp using Hansen solubility parameters, risk assessment, sustainability evaluation, and economic analysis

Aristizabal¹,

Alvarado²,

Vargas³

2019

DYNA

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Chlorogenic acid (CGA), a high value-added phytochemical used by the pharmaceutical and food industries, is found in residues and byproducts of the coffee industry. This paper presents a methodology to identify the adequate solvents to extract CGA from coffee pulp based on Hansen solubility parameters (HSPs), risk assessment, sustainability evaluation, and an economic analysis. In total, 16 solvents with different physicochemical properties, which are commonly used in the industry for extraction processes, were evaluated. According to the results, the most appropriate solvents are water, methanol, ethanol, n-propanol, acetone, t-Butyl alcohol, ethyl acetate, acetic acid, benzyl alcohol, and phenol. However, water, ethanol, and a mix of them are the most advisable solvents because they have the lowest Ra, their HSPs are near those of CGA, they are easy to handle according to CHEM21’s Risk Assessment guide, they have a lower carbon footprint, and they are less expensive solvents.

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Section: Cga Solid-liquid Extraction Processmentioning

confidence: 99%

Numerical determination of the correct solvents to extract a phytochemical from coffee pulp using Hansen solubility parameters, risk assessment, sustainability evaluation, and economic analysis

Aristizabal¹,

Alvarado²,

Vargas³

2019

DYNA

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“…Carvalho et al (2013) and Garcia et al (2016) showed that selection of the appropriate solvent not only reduces the environmental impact, but also increases profit through reduced energy consumption and therefore, also reduced carbon foot-print. Papadakis, et al (2016) proposed a systematic methodology for solvent selection to execute solvent swap task in pharmaceutical processes. The method incorporates a pharmaceutical solvent database, tools for calculating properties of solvents and the process models of batch distillation and crystallization to perform the swap task.…”

Section: Environmental Impact Versus Sustainabilitymentioning

confidence: 99%

Sustainable chemical processing and energy-carbon dioxide management: Review of challenges and opportunities

Vooradi

Bertran

Frauzem

et al. 2018

Chemical Engineering Research and Design

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“…The shift to continuous operation opens up opportunities for integrating crystallization with other up-or down-stream processing steps, [18] which also brings new challenges on the optimal solvent selection. The solvent should be selected not only based on the optimal properties for crystallization, but the ability for regeneration and recycling [19], or the easiness for solvent-swap [20] should also be considered. We have previously developed a systematic approach for simultaneous solvent and process optimization for a continuous anti-solvent crystallization process with solvent separation by flash [21].…”

Section: Introductionmentioning

confidence: 99%

A Hybrid Framework for Simultaneous Process and Solvent Optimization of Continuous Anti-Solvent Crystallization with Distillation for Solvent Recycling

2020

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Anti-solvent crystallization is frequently applied in pharmaceutical processes for the separation and purification of intermediate compounds and active ingredients. The selection of optimal solvent types is important to improve the economic performance and sustainability of the process, but is challenged by the discrete nature and large number of possible solvent combinations and the inherent relations between solvent selection and optimal process design. A computational framework is presented for the simultaneous solvent selection and optimization for a continuous process involving crystallization and distillation for recycling of the anti-solvent. The method is based on the perturbed-chain statistical associated fluid theory (PC-SAFT) equation of state to predict relevant thermodynamic properties of mixtures within the process. Alternative process configurations were represented by a superstructure. Due to the high nonlinearity of the thermodynamic models and rigorous models for distillation, the resulting mixed-integer nonlinear programming (MINLP) problem is difficult to solve by state-of-the-art solvers. Therefore, a continuous mapping method was adopted to relax the integer variables related to solvent selection, which makes the scale of the problem formulation independent of the number of solvents under consideration. Furthermore, a genetic algorithm was used to optimize the integer variables related to the superstructure. The hybrid stochastic and deterministic optimization framework converts the original MINLP problem into a nonlinear programming (NLP) problem, which is computationally more tractable. The successful application of the proposed method was demonstrated by a case study on the continuous anti-solvent crystallization of paracetamol.

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Solvent selection methodology for pharmaceutical processes: Solvent swap

Cited by 48 publications

References 22 publications

Numerical determination of the correct solvents to extract a phytochemical from coffee pulp using Hansen solubility parameters, risk assessment, sustainability evaluation, and economic analysis

Numerical determination of the correct solvents to extract a phytochemical from coffee pulp using Hansen solubility parameters, risk assessment, sustainability evaluation, and economic analysis

Sustainable chemical processing and energy-carbon dioxide management: Review of challenges and opportunities

A Hybrid Framework for Simultaneous Process and Solvent Optimization of Continuous Anti-Solvent Crystallization with Distillation for Solvent Recycling

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