Mesoscopic models of nucleation and growth processes: a challenge to experiment

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Publication Date
DOI 10.1039/A809348B
Impact Factor 3.676
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Abstract

In this paper we formulate and analyse several models of generalised nucleation and growth processes which include primary and secondary nucleation in the presence of inhibitors, at various levels of coarse-graining from microscopic, through mesoscopic to macroscopic. The mesoscopic models are based on ones derived in an earlier paper (J. A. D. Wattis and P. V. Coveney, J. Chem. Phys., 1997, 106, 9122), but until now none of their physicochemical properties have been studied. Our analysis, which makes extensive use of matched asymptotic expansions, shows the dependence of the induction time on the cluster size for which the strongest inhibition and/or secondary nucleation occurs. One potential application of the model is to barium sulfate nucleation and crystal growth, of relevance interalia to scale formation in oil wells and reservoirs.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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