Inna Kurganskaya

Inna Kurganskaya
Universität Bremen | Uni Bremen · MARUM - Center for Marine Environmental Sciences

PhD
Mathematical modelling of mineral-water interactions

About

38
Publications
4,069
Reads
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382
Citations
Additional affiliations
April 2018 - present
Universität Bremen
Position
  • Senior Researcher
September 2015 - March 2018
Universität Bern
Position
  • PostDoc Position
September 2013 - July 2015
Rice University
Position
  • Postdoctoral Research Assosiate

Publications

Publications (38)
Article
Full-text available
The era of advanced computer simulations in materials science enables a great potential to design in silico computational experiments for (nano-)material performance. The adsorption efficiency of nanoparticles in various environments can be unveiled by atomistic models and computer simulations. Arsenic (As) is one of the important globally distribu...
Article
Intrinsic heterogeneities of crystals almost always impose challenges on the investigation of dissolution kinetics. In the case of the incomplete solid solution series of alkali feldspars, additional complexity to the wide range in chemical composition and crystallographic characteristics is introduced in the form of chemical differentiation at low...
Article
Dissolution of carbonate minerals as is a complex multi-step process, characterized by the particular sequence of steps dependent on pH and background electrolyte concentration. Currently, available dissolution models for carbonates do not consider dependence of the surface speciation on the local surface topography. We have developed a new approac...
Article
Full-text available
Barite (Ba[SO4]) is one of the promising candidates for sequestration of radioactive waste. Barite can incorporate radium (Ra) and form ideal solid solutions, i.e., (Ba,Ra)[SO4]. Together with isostructural celestite (Sr[SO4]), ternary solid solutions, (Ba,Sr,Ra)[SO4], may exist in natural conditions. Our fundamental understanding of the dissolutio...
Article
Full-text available
Mechanistic understanding and prediction of solute adsorption from fluids onto mineral surfaces is relevant for many natural and technical processes. Mineral surfaces in natural systems are often exposed to fluids at non-equilibrium conditions resulting in surface dissolution reactions. Such reactions cause the formation of surface nanotopography a...
Article
Full-text available
Understanding mineral dissolution is relevant for natural and industrial processes that involve the interaction of crystalline solids and fluids. The dissolution of slow dissolving minerals is typically surface controlled as opposed to diffusion/transport controlled. At these conditions, the dissolution rate is no longer constant in time or space,...
Article
In a unique “perspectives” format that examines both past and future, we appraise the field of crystal dissolution kinetics, showing how the last century's strong progress in experimental discovery has both driven, and been driven by, the tandem evolution of basic theory. To provide context for examining the current state-of-the-art in this critica...
Article
Full-text available
Kinetic Monte Carlo (kMC) methods have been used extensively for the study of crystal dissolution kinetics and surface reactivity. A current restriction of kMC simulation calculations is their limitation in spatial system size. Here, we explore a new and very fast method for the calculation of the reaction kinetics of a dissolving crystal, capable...
Article
Material and environmental sciences have a keen interest in the correct prediction of material release as a result of fluid-solid interaction. For crystalline materials, surface reactivity exerts fundamental control on dissolution reactions; however, it is continuously changing during reactions and governs the dynamics of porosity evolution. Thus,...
Conference Paper
Full-text available
Carbonate-water systems attract a significant interest from the scientific community with regard to the problems of diagenesis, geochemical carbon cycle, sequestering of CO2 and toxic metals. The complex interplay between carbonate mineral dissolution, precipitation, and solvent composition governs the evolution of the rock-fluid system. The reliab...
Conference Paper
Kinetics of mineral dissolution in natural environments are controlled by a vast variety of factors, chemical compo-sition and crystal structure, surface site reactivity, fluid com-position and presence of inhibiting/catalyzing species. Previous attempts to express overall mineral dissolution rates as functions of ionic “activity” and “reactive sur...
Article
Reactive properties of carbonate minerals and rocks attract a significant attention with regard to modern environmental and industrial problems, including geologic carbon sequestration, toxic waste utilization, cement clinker production, the fate of carbonate shell-bearing organisms in acidifying oceans. Despite the ultimate importance of the probl...
Conference Paper
Kinetic Monte Carlo (KMC) methods have been extensively used for the study of crystal dissolution and surface reactivity. The latter is heterogeneously distributed. Step waves and etch pits generate complex surface topographies. Crystal defects are an important contributing factor to the surface evolution. To quantify rate contributions, the concep...
Conference Paper
Diagenetic reactions result in complex spatial patterns of reaction products. These patterns reflect the variability of reaction rates. The quantitative predictability of such patterns is still very limited. We discuss two important aspects of the underlying rate variability in greater detail. First, this variability reflects differences of the rea...
Article
A multitude of natural processes and technical applications require our ability to provide a reliable prediction of crystal surface reactivity. During the last decades, the detailed analysis of crystal surface reactions revealed the existence of intrinsic variability in surface reactivity. This reactivity acts in addition to extrinsic factors, such...
Article
Accurate modeling of phyllosilicate dissolution kinetics is a complex problem involving recognition of the influence of structure, chemical composition, lattice defects, and surface topography on local and global dissolution mechanisms. Previous research has provided a wealth of experimental observations that illustrate the dominant role of etch pi...
Article
The overall dissolution of silicate minerals is controlled by multiple surface reaction mechanisms, reflecting the complex structure of the surface at both molecular- and micron-scale levels. This complexity results in a large number of possible local atomic configurations influencing site reactivity, and thus a corresponding variability in surface...
Article
Recent studies by [1] have demonstrated that intrinsic rate variations in mineral dissolution are common and of up to 2.5 orders of magnitude. As a major consequence, we have abandoned the concept of simple closed-form rate equations. Instead, we have intro- duced the concept of rate spectra. Such rate spectra are the direct result of the fact that...
Article
The micas are a unique class of minerals because of their layered structure. A frequent question arising in mica dissolution studies is whether this layered structure radically changes the dissolution mechanism. We address this question here, using data from VSI and AFM experiments involving muscovite to evaluate crystallographic controls on mica d...
Article
The micas are a unique class of minerals because of their layered structure. A frequent question arising in mica dissolution studies is whether this layered structure radically changes the dissolution mechanism. We address this question here, using data from VSI and AFM experiments involving muscovite to evaluate crystallographic controls on mica d...
Article
We present our recent results in the study of phyllosilicate dissolution kinetics. The major problem in this field is the influence of the layered structure on dissolution mechanism and the difference in reactivity between edge and basal faces. We use an integrated approach including experiments and modelling to understand real crystallographic con...
Article
In the 1950’s Burton, Cabrera and Frank developed BCF theory for crystal growth and some specific cases of crystal dissolution, e.g. the formation of etch pits along screw dislocations. Subsequently, we have struggled with attempts to develop a comprehensive theory and model that will describe and correctly predict how crystalline matter dissolves....
Article
We present an experimental and theoretical study of sheet silicate dissolution kinetics. Sheet silicates have a layered structure that significantly affects the dissolution mechanism and rates. Dissolution of mineral powders [1,2] revealed a high variability in rates of 2 - 3 orders of magnitude, typically thought to reflect variation in basal to l...

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