Reviews

Abstract

Recent scholarship on Boyle's Sceptical Chymist has emphasised the alchemical context of Boyle's work. In this paper we will draw attention to its specifically sceptical context. Based on Cicero's works on Academic scepticism, the Academica and De Natura Deorum, we give some grounds for Boyle's choice of the literary style of the work and, in particular, for his choice of Carneades as its main character. Based on Sextus Empiricus's Outlines of Pyrrhonism, we show the sceptical nature of the arguments presented by Carneades against the alchemists. Finally, we set Boyle's Sceptical Chymist in the context of Seventeenth-Century skepticism (Gassendi, Mersenne, Descartes, and Glanvill) in order to shed light on the relation exhibited by Boyle's work between scepticism and the new science, in particular the corpuscular theory.     

Alchemical Patronage and the Making of an Adept: Letters of Michael Sendivogius to Emperor Rudolf II and His Chamberlain Hans Popp

Based on four extant letters the famous Polish alchemist Michael Sendivogius wrote to Emperor Rudolf II and his first chamberlain Hans Popp between 1597 and 1602, this paper adds to a growing body of revisionist scholarship on alchemy in Rudolfine Prague. Unlike most of his many rivals – including luminaries such as John Dee and Michael Maier – who hoped for the Emperor's patronage in vain, Sendivogius officially became a courtier at the imperial court in 1594. As such he was in the privileged position of having access to the Emperor and his close advisors. The surviving correspondence shows how the Pole successfully balanced his alchemical promises against Rudolf's expectations for a number of years. The fact that even Sendivogius found it difficult to translate imperial patronage into ready money suggests that Emperor Rudolf II was considerably more circumspect and less gullible than the widespread cliché suggests. Fully contextualised by all available sources on Sendivogius' early career, the four letters emerge as important documents regarding the Polish adept and alchemical patronage in Rudolfine Prague. They also shed new light on the circumstances which led to the writing and publication of Sendivogius' famous treatise De lapide philosophorum (Novum lumen chymicum).     

Stoicism and Alchemy in Late Antiquity: Zosimus and the Concept of Pneuma

At the beginning of the twentieth century, historians associated the alchemy of the third-century alchemist Zosimus of Panopolis with Platonism and Aristotelianism, explicating his theory of alchemical transmutation under the intellectual umbrella of these philosophical traditions. More recently, scholars of alchemy such as Christina Viano and William Newman have suggested a connection between Zosimean alchemy and Stoicism. Through a close reading of texts in Zosimus’s corpus, this paper posits a Stoic interpretation of several aspects of Zosimean alchemy, focusing on the concepts of pneuma and tension. For Zosimus, I argue, pneuma played a vital role in colouring metals, while tension conferred stability and cohesion upon metallic compounds. This interpretation suggests that Zosimus applied Stoic concepts to describe the alchemical process of tincturing metals.     

The Fire/Heat Concept and Its Journey from Prehistoric Time into the Third Millennium

The notion of fire/light/heat/energy is recognized as an integrating element in the pathway of ordering matter and society, and its historical aspects are thoroughly reviewed. Fire is argued to be a philosophical archetype and its role in the early concept of four elements is discussed. The Indian, Arabic and Greek historical bases are mentioned. Alchemy is briefly reviewed as a source of the wider adoption of fire. The era of renaissance and the new age are also included. The message of fire/heat is nowadays focused on the progress of civilization, with the assumption of engines as information transducers based on the conscious exploitation of fire. The role of chaos is emphasized. Overall, a condensed but consistent view is given of the various concepts that emerged during the historical progress of the understanding of heat (noting 61 references). This revised version was published online in July 2006 with corrections to the Cover Date.     

Establishing the Canon: George Ripley and his Alchemical Sources

Abstract

George Ripley, Canon of Bridlington (ca. 1415 to ca. 1490) was one of England's most famous alchemists, whose alchemical opera attracted study and commentary throughout the sixteenth and seventeenth centuries, and were printed and translated both in England and abroad. Yet Ripley's frequently baffling texts have proved resistant to scholarly interpretation. This paper attempts to unravel some of Ripley's alchemical theories and practice, firstly by identifying his major sources, and secondly by gauging his response to these texts. For instance, although Ripley's interest in the corpus of alchemical texts pseudonymously attributed to Ramon Lull is well documented, it transpires that his best known work, the Compound of Alchemy, or Twelve Gates, is actually based not on a Lullian work, but on a Latin treatise that Ripley attributed to the little-known alchemist, Guido de Montanor. Further clues to Ripley's alchemical thought can be obtained by considering his handling of a potential conflict between his two authorities, Lull and Guido. The resulting insights into Ripley's alchemy provide an instrument for assessing which of Ripley's pseudoepigraphic works can be truly called "canonical".     

Alchemy and Mining: Metallogenesis and Prospecting in Early Mining Books

Abstract

Historians have assumed that alchemy had a close association with mining, but exactly how and why miners were interested in alchemy remains unclear. This paper argues that alchemical theory began to be synthesised with classical and Christian theories of the earth in mining books after 1500, and served an important practical function. The theory of metals that mining officials addressed spoke of mineral vapours (Witterungen) that left visible markings on the earth's surface. The prospector searched for mineral ore in part by studying these indications. Mineral vapours also explained the functioning of the dowsing rod, which prospectors applied to the discovery of ore. Historians of early chemistry and mining have claimed that mining had a modernising influence by stripping alchemy of its theoretical component, but this paper shows something quite to the contrary: mining officials may have been sceptical of the possibility of artificial transmutation, but they were interested in a theory of the earth that could translate into prospecting knowledge.     

Thermal runaway and fire behavior investigation of lithium ion batteries using modified cone calorimeter

The lithium ion battery has been widely used, but it has high fire risk due to its flammable materials. In this study, a series of combustion tests are conducted on the 18650-type lithium ion batteries using the modified cone calorimeter. The temperature and voltage variation of the battery, heat release rate and gas generation during combustion are measured in this study. The battery is heated evenly by the self-made heater, and the reliable trigger temperatures of thermal runaway are obtained for different states of charge (SOCs) batteries in this study. The fire behavior of the 100% SOC batteries is shown in this paper. The net heat absorption by the battery before thermal runaway is calculated based on the heat transfer theory. It ranges from 56.81 to 64.05 kJ for 0 to 100% SOC batteries, which shows a decreasing trend as SOC increases. The peak combustion heat release rate of 100% SOC batteries is 3.747?±?0.858 kW. CH₄ and CO gases are detected before and after thermal runaway. The generation of CO shows an increasing trend as SOC increases. Some suggestions on the early warning system of battery thermal runaway are proposed based on this study.

     

Synergistic fire retardancy of colemanite, a natural hydrated calcium borate, in high-impact polystyrene containing brominated epoxy and antimony oxide

This study explores for the first time the synergistic fire retardant action of natural hydrated calcium borate, namely the mineral colemanite, which partially replaces antimony oxide in brominated flame retardant high-impact polystyrene compounds. Various antimony oxide to hydrated calcium borate ratios were employed keeping the brominated flame retardant additive at a constant loading level. With partial colemanite substitution for antimony oxide, lower heat release rate, total heat evolved and fire growth index was obtained under forced flaming fire conditions. Synergism was also seen in limiting oxygen index along with maintained V-0 classification in UL-94 tests. Regarding fire behaviour and flammability ratings, a large antimony oxide to calcium borate ratio provided ultimate fire retardant performance whereas magnitudes of synergism in average heat release rate and total heat evolved tend to be higher towards a smaller ratio. Effective heats of combustion and structural/morphological characterization of fire residues ascribed the underlying mechanism demonstrated by hydrated calcium borate to the formation of a consolidated residue that co-operates with the dominant gas phase fire retardancy originating from bromine-antimony synergism. It is thus proposed that coupling is achieved between gas phase and condensed phase modes of action increasing the overall fire retardant effectiveness. Along with enhanced fire retardancy, thermal stability and mechanical properties were satisfactorily maintained with the use of hydrated calcium borate at a variety of loading levels in compounds.     

Acceleration of catalyst discovery with easy,fast, and reproducible computational alchemy

The expense of quantum chemistry calculations significantly hinders the search for novel catalysts. Here, we provide a tutorial for using an easy and highly cost‐efficient calculation scheme, called alchemical perturbation density functional theory (APDFT), for rapid predictions of binding energies of reaction intermediates and reaction barrier heights based on the Kohn‐Sham density functional theory (DFT) reference data. We outline standard procedures used in computational catalysis applications, explain how computational alchemy calculations can be carried out for those applications, and then present benchmarking studies of binding energy and barrier height predictions. Using a single OH binding energy on the Pt(111) surface as a reference case, we use computational alchemy to predict binding energies of 32 variations of this system with a mean unsigned error of less than 0.05 eV relative to single‐point DFT calculations. Using a single nudged elastic band calculation for CH₄ dehydrogenation on Pt(111) as a reference case, we generate 32 new pathways with barrier heights having mean unsigned errors of less than 0.3 eV relative to single‐point DFT calculations. Notably, this easy APDFT scheme brings no appreciable computational cost once reference calculations are performed, and this shows that simple applications of computational alchemy can significantly impact DFT‐driven explorations for catalysts. To accelerate computational catalysis discovery and ensure computational reproducibility, we also include Python modules that allow users to perform their own computational alchemy calculations.     

Simulated scaling method for localized enhanced sampling and simultaneous "alchemical" free energy simulations: a general method for molecular mechanical, quantum mechanical, and quantum mechanical/molecular mechanical simulations

A potential scaling version of simulated tempering is presented to efficiently sample configuration space in a localized region. The present "simulated scaling" method is developed with a Wang-Landau type of updating scheme in order to quickly flatten the distributions in the scaling parameter lambdam space. This proposal is meaningful for a broad range of biophysical problems, in which localized sampling is required. Besides its superior capability and robustness in localized conformational sampling, this simulated scaling method can also naturally lead to efficient "alchemical" free energy predictions when dual-topology alchemical hybrid potential is applied; thereby simultaneously, both of the chemically and conformationally distinct portions of two end point chemical states can be efficiently sampled. As demonstrated in this work, the present method is also feasible for the quantum mechanical and quantum mechanical/molecular mechanical simulations.     

Cone calorimeter analysis of flame retardant poly (methyl methacrylate)-silica nanocomposites

Nanocomposite is a promising method to reduce fire hazards of polymers. Specifically due to increased interfacial area between polymer and nanofillers, polymer nanocomposites have an advantage in reducing fire hazards efficiently even when the flame retardant additives are at a concentration of 5 mass% or less. In theory, crosslinking between the polymer chains can create a carbon-dense structure to enhance char formation, which can further promote the flame retardancy. However, little research has been done to explore the flammability of crosslinking polymer nanocomposites with a low concentration of nanosilica particles. In this study, crosslinked and non-crosslinked poly (methyl methacrylate) (PMMA) nanocomposites of a low concentration of nanosilica particles have been prepared via an in situ method. Their fire properties were tested by using the cone calorimeter at the heat flux of 50 kW m^?2. Although silica-containing flame retardants tend to negatively affect the ignitability and soot production especially at a high concentration, through the condensed phase mechanism, the samples of high loading rate of nanosilica particles show better fire retardancy performance in the aspect of flammability, including decreased heat release rate, mass loss rate, and total heat release. Additionally, crosslinking indeed attributes to the less intensive combustion of crosslinked PMMA samples, especially at a low concentration of nanosilica. The combination of nanosilica particles with the modification of the internal structure of the polymer nanocomposites might be a good strategy to improve fire retardancy.     

Higher order alchemical derivatives from coupled perturbed self-consistent field theory

We present an analytical approach to treat higher order derivatives of Hartree-Fock (HF) and Kohn-Sham (KS) density functional theory energy in the Born-Oppenheimer approximation with respect to the nuclear charge distribution (so-called alchemical derivatives). Modified coupled perturbed self-consistent field theory is used to calculate molecular systems response to the applied perturbation. Working equations for the second and the third derivatives of HF/KS energy are derived. Similarly, analytical forms of the first and second derivatives of orbital energies are reported. The second derivative of Kohn-Sham energy and up to the third derivative of Hartree-Fock energy with respect to the nuclear charge distribution were calculated. Some issues of practical calculations, in particular the dependence of the basis set and Becke weighting functions on the perturbation, are considered. For selected series of isoelectronic molecules values of available alchemical derivatives were computed and Taylor series expansion was used to predict energies of the "surrounding" molecules. Predicted values of energies are in unexpectedly good agreement with the ones computed using HF/KS methods. Presented method allows one to predict orbital energies with the error less than 1% or even smaller for valence orbitals.     

An Alchemist in Greenland: Hans Egede (1686–1758) and Alchemical Practice in the Colony of Hope

The article explores the practical and social circumstances of the alchemical experiments performed by the Norwegian priest and missionary Hans Egede (1686–1758) in the Colony of Hope in Greenland. Sources not previously used in connection with Egede’s alchemy are used to investigate in which ways his situation in the colony affected alchemical practice. A lack of fuel is found to have been a main obstacle which may have limited the number of experiments that Egede was able to perform in Greenland. At the same time, the area had natural resources that were useful to the alchemist, and Egede’s position as head of the colony gave access to resources that facilitated alchemical practice.     

Tinker‐OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs

The capabilities of the polarizable force fields for alchemical free energy calculations have been limited by the high computational cost and complexity of the underlying potential energy functions. In this work, we present a GPU‐based general alchemical free energy simulation platform for polarizable potential AMOEBA. Tinker‐OpenMM, the OpenMM implementation of the AMOEBA simulation engine has been modified to enable both absolute and relative alchemical simulations on GPUs, which leads to a ∼200‐fold improvement in simulation speed over a single CPU core. We show that free energy values calculated using this platform agree with the results of Tinker simulations for the hydration of organic compounds and binding of host–guest systems within the statistical errors. In addition to absolute binding, we designed a relative alchemical approach for computing relative binding affinities of ligands to the same host, where a special path was applied to avoid numerical instability due to polarization between the different ligands that bind to the same site. This scheme is general and does not require ligands to have similar scaffolds. We show that relative hydration and binding free energy calculated using this approach match those computed from the absolute free energy approach. © 2017 Wiley Periodicals, Inc.