Nucleation kinetics, growth and hardness parameters of l-alanine alaninium picrate (LAAP) single crystals

Shanthi, D.; Selvarajan, P.; Mani, R. Jothi

doi:10.1016/j.ijleo.2013.10.118

Cited by 29 publications

(18 citation statements)

References 40 publications

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“…Kurtz powder method was used to find the second harmonic generation efficiency of the samples [12]. The powdered sample was illuminated using a Nd: YAG laser with the first harmonics output of 1064 nm with pulse width of 8 ns and repetition rate 10 Hz.…”

Section: Kurtz Powder Methodsmentioning

confidence: 99%

Investigations on Various Studies of Triglycine Sulphophosphate Crystals Doped With Cesium Chloride

Juliana¹,

Selvarajan²,

Perumal³

2017

IOSR JAP

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Section: Kurtz Powder Methodsmentioning

confidence: 99%

Investigations on Various Studies of Triglycine Sulphophosphate Crystals Doped With Cesium Chloride

Juliana¹,

Selvarajan²,

Perumal³

2017

IOSR JAP

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“…Based on the classical homogenous nucleation theory; the induction time can be related to the supersaturation using the correlation described elsewhere; Tavare (1995), Musmara et al (1999), Myerson (1993) and Shanthi, Selvarajan, and Jothi (2014). Plotting of log t(ind) against 1/…”

Section: Calculation Of Surface Energy (γ)mentioning

confidence: 99%

“…As a matter of fact, the change of nucleation mechanism produces change in the slope of B/T 3 ; Tavare (1995), Musmara et al (1999), Myerson (1993 and Shanthi, Selvarajan, and Jothi (2014).…”

Section: Calculation Of Surface Energy (γ)mentioning

confidence: 99%

“…The time interval in which the observation of the first sparkling particle in the undisturbed supersaturated solution is called the induction period; Shanthi, Selvarajan, and Jothi (2014). The free energy changes ΔGcr for the formation of critical nucleus sizes are calculated from the following Arrhenius type equation: He, Oddo, and Tomson (1994); Nyvlt and Ulrich (1995).…”

Section: Number Of Molecules In the Critical Nucleus (I)mentioning

confidence: 99%

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Crystallization study of reverse osmosis desalination scales at low salinity with and without inhibitor

Abdel-Aal

Abdel-Ghafar

El-Sayed

et al. 2016

Particulate Science and Technology

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Crystallization study of calcium sulfate dihydrate was studied under conditions of scales formation using pure chemicals and at low salinity. Calcium chloride and sodium sulfate were mixed in deionized water, and the conductivity of the reaction mixture was measured at different time periods to determine the induction time of gypsum crystal formation. Induction time was measured under different high supersaturation ratios (SR) ranging from 5.9 to 7.0. Using crystallization Downloaded by [University of Lethbridge] at 23:59 26 June 20162 equations that relate induction times with supersaturation ratios, the free energy barrier and critical nuclei radius were calculated with and without addition of scale inhibitor (Tri-Sodium Phosphate, TSP). The nucleation rates at supersaturation ratio of 5.9 are 7.6 × 10 26 nuclei/cm 3 .s and 2.3 × 10 26 nuclei/cm 3 .s with and without TSP addition, respectively. The surface energy increases with TSP compared to the baseline (without TSP). Numbers of molecules required for formation of stable nucleus are calculated to be from 15 to 22 molecules depending on supersaturation ratios and presence or absence of TSP.

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“…21 Picric acid and L-alanine are good NLO materials that show excellent NLO efficiencies better than that of KDP. 38 The above recent reports specify the preliminary experimental ndings about LALAPM. 31 Furthermore investigations of these crystals were also carried out in some previous studies, 32,33 including DL-valine DL-valinium picrate.…”

Section: Introductionmentioning

confidence: 99%

Combined experimental and computational insights into the key features of l-alanine l-alaninium picrate monohydrate: growth, structural, electronic and nonlinear optical properties

et al. 2015

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In the current work, we spotlight the novel key features of L-alanine L-alaninium picrate monohydrate (LALAPM) using a dual approach comprised of experimental and computational techniques. Single crystals of LALAPM have been grown indigenously in three different ratios (1 : 1, 1 : 5, 2 : 1) through a slow cooling technique. The formations of different types of crystals were recorded during the growth process and found to vary significantly from each other. The grown crystals were subjected to single crystal powder X-ray diffraction analysis to confirm their respective crystal structures. Additionally, ultraviolet-visible-near infrared, diffuse reflectance measurements and optical parameter analysis were performed. The state-of-art computational techniques were used to get the ground state molecular geometry of LALAPM at the B3LYP/6-31G* level of theory. Different important electro-optical parameters (complementary to the experimental results) including IR, Raman, and UV-visible spectra have been calculated at the same level of theory. The polarizability and first hyperpolarizability (both static and dynamic) were calculated to see the potential applications of LALAPM in nonlinear optics. Furthermore, several novel molecular level insights have been obtained in the form of the total and partial density of states, the HOMO-LUMO gap and electrostatic potential maps etc. The obtained quantum chemical findings were compared with experimental results. The static and frequency dependent dynamic first hyperpolarizability values of the LALAPM molecule are found to be 8.06 Â 10 À30 and 10.24 Â 10 À30 esu that are about 37 times and 59 times larger than those of the prototype urea molecule, respectively, at the same B3LYP/6-31G* level of theory. The obtained results indicate that the titled compound contains good nonlinear optical properties and can be treated as a good contender for optoelectronic device fabrications.

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Nucleation kinetics, growth and hardness parameters of l-alanine alaninium picrate (LAAP) single crystals

Cited by 29 publications

References 40 publications

Investigations on Various Studies of Triglycine Sulphophosphate Crystals Doped With Cesium Chloride

Investigations on Various Studies of Triglycine Sulphophosphate Crystals Doped With Cesium Chloride

Crystallization study of reverse osmosis desalination scales at low salinity with and without inhibitor

Combined experimental and computational insights into the key features of l-alanine l-alaninium picrate monohydrate: growth, structural, electronic and nonlinear optical properties

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