Mathematical Modeling of Diffusion of a Hydrophilic Ionic Fertilizer in Plant Cuticles: Surfactant and Hygroscopic Effects

The agricultural industry requires improved efficacy of sprays being applied to crops and weeds to reduce their environmental impact and increase financial returns. One way to improve efficacy is by enhancing foliar penetration. The plant leaf cuticle is the most significant barrier to agrochemical diffusion within the leaf. The importance of a mechanistic mathematical model has been noted previously in the literature, as each penetration experiment is dictated by its specific parameters, namely plant species, environmental conditions such as relative humidity and spray formulation including adjuvant addition. A mechanistic mathematical model has been previously developed by the authors, focusing on plant cuticle diffusion of calcium chloride through tomato fruit cuticles including pore swelling, ion binding and evaporation, along with the ability to vary the active ingredient concentration and type, relative humidity and plant species. Here we further develop this model to include adjuvant effects as well as the hygroscopic nature of deliquescent ionic solutions with evaporation on the cuticle surface. These modifications to a penetration and evaporation model provide a novel addition to the literature and allow the model to be applied to many types of evaporating ionic hygroscopic solutions on many types of substrates, not just plant cuticles. We validate our theoretical model results against appropriate experimental data, discuss key sensitivities and relate theoretical predictions to physical mechanisms. The important governing mechanisms influencing surfactant enhanced penetration of ionic active through plant cuticles were found to be aqueous pore radius, pore density, cuticle thickness and initial contact angle of the applied droplet; ion binding, relative humidity and evaporation including hygroscopic water absorption parameters for point of deliquescence. The sensitivity analysis indicated surfactants increase penetration by changing the point of deliquescence of a solution, which alters the water absorption and the initial contact angle, which alters the number of pores under the droplet. The results of the validation and sensitivity analysis imply that this model accounts for many of the mechanisms governing penetration in plant cuticles

Roadmap on Li-ion battery manufacturing research

Growth in the Li-ion battery market continues to accelerate, driven primarily by the increasing need for economic energy storage for electric vehicles. Electrode manufacture by slurry casting is the first main step in cell production but much of the manufacturing optimisation is based on trial and error, know-how and individual expertise. Advancing manufacturing science that underpins Li-ion battery electrode production is critical to adding to the electrode manufacturing value chain. Overcoming the current barriers in electrode manufacturing requires advances in materials, manufacturing technology, in-line process metrology and data analytics, and can enable improvements in cell performance, quality, safety and process sustainability. In this roadmap we explore the research opportunities to improve each stage of the electrode manufacturing process, from materials synthesis through to electrode calendering. We highlight the role of new process technology, such as dry processing, and advanced electrode design supported through electrode level, physics-based modelling. Progress in data driven models of electrode manufacturing processes is also considered. We conclude there is a growing need for innovations in process metrology to aid fundamental understanding and to enable feedback control, an opportunity for electrode design to reduce trial and error, and an urgent imperative to improve the sustainability of manufacture

Roadmap on Li-ion battery manufacturing research

Growth in the Li-ion battery market continues to accelerate, driven by increasing need for economic energy storage in the electric vehicle market. Electrode manufacture is the first main step in production and in an industry dominated by slurry casting, much of the manufacturing process is based on trial and error, know-how and individual expertise. Advancing manufacturing science that underpins Li-ion battery electrode production is critical to adding value to the electrode manufacturing value chain. Overcome the current barriers in the electrode manufacturing requires advances in material innovation, manufacturing technology, in-line process metrology and data analytics to improve cell performance, quality, safety and process sustainability. In this roadmap we present where fundamental research can impact advances in each stage of the electrode manufacturing process from materials synthesis to electrode calendering. We also highlight the role of new process technology such as dry processing and advanced electrode design supported through electrode level, physics-based modelling. To compliment this, the progresses in data driven models of full manufacturing processes is reviewed. For all the processes we describe, there is a growing need process metrology, not only to aid fundamental understanding but also to enable true feedback control of the manufacturing process. It is our hope this roadmap will contribute to this rapidly growing space and provide guidance and inspiration to academia and industry

Mathematical Modeling of Diffusion of a Hydrophilic Ionic Fertilizer in Plant Cuticles: Surfactant and Hygroscopic Effects

The agricultural industry requires improved efficacy of sprays being applied to crops and weeds to reduce their environmental impact and increase financial returns. One way to improve efficacy is by enhancing foliar penetration. The plant leaf cuticle is the most significant barrier to agrochemical diffusion within the leaf. The importance of a mechanistic mathematical model has been noted previously in the literature, as each penetration experiment is dictated by its specific parameters, namely plant species, environmental conditions such as relative humidity and spray formulation including adjuvant addition. A mechanistic mathematical model has been previously developed by the authors, focusing on plant cuticle diffusion of calcium chloride through tomato fruit cuticles including pore swelling, ion binding and evaporation, along with the ability to vary the active ingredient concentration and type, relative humidity and plant species. Here we further develop this model to include adjuvant effects as well as the hygroscopic nature of deliquescent ionic solutions with evaporation on the cuticle surface. These modifications to a penetration and evaporation model provide a novel addition to the literature and allow the model to be applied to many types of evaporating ionic hygroscopic solutions on many types of substrates, not just plant cuticles. We validate our theoretical model results against appropriate experimental data, discuss key sensitivities and relate theoretical predictions to physical mechanisms. The important governing mechanisms influencing surfactant enhanced penetration of ionic active through plant cuticles were found to be aqueous pore radius, pore density, cuticle thickness and initial contact angle of the applied droplet; ion binding, relative humidity and evaporation including hygroscopic water absorption parameters for point of deliquescence. The sensitivity analysis indicated surfactants increase penetration by changing the point of deliquescence of a solution, which alters the water absorption and the initial contact angle, which alters the number of pores under the droplet. The results of the validation and sensitivity analysis imply that this model accounts for many of the mechanisms governing penetration in plant cuticles